smiles zinc_id inchikey mwt logp reactive purchasable tranche_name features C=C1CCC[C@]2(C)C[C@@H]3OC(=O)[C@H](C)[C@H]3C[C@H]12 5530779 YYJRTJYCOMIDIC-XLFUENPSSA-N 234.339 3.321 30 1 BGEF endogenous,in-man C#C[C@@H]1CCc2c(nc3cccc4c3c2CC4)C1 587215845 WAIBIGASDSGURN-LLVKDONJSA-N 233.314 3.072 30 1 BGEF C=C1CC[C@H]2C[C@@]3([C@H](CO)CC[C@H]13)C2(C)C 2356472577 BVQAARKEKMVAKI-XPCVCDNBSA-N 220.356 3.387 30 1 BGEF C=C1C[C@H]2OC(=O)C(=C)[C@@H]2C[C@@H]2C(C)=CC[C@H]12 5757674 KREYKRAJLBRHAZ-YIYPIFLZSA-N 230.307 3.017 30 1 BGEF CC(C)=CC#C/C(C)=C/C/C=C1/COC(=O)C1 205708349 TZXWZXDSJNUSON-UQNWOCKMSA-N 230.307 3.166 30 1 BGEF C=C(C)[C@H]1CC[C@@]2(C)CC(=O)C=C(C)[C@@]2(O)C1 14452356 WDFLKCAWQQMJCA-QEJZJMRPSA-N 234.339 3.019 30 1 BGEF endogenous,in-man C[C@@H](NC(=O)[C@@H](C#N)C(C)(C)C)c1ccccc1 103180969 UYEAMGWQFXEKHP-DGCLKSJQSA-N 244.338 3.050 30 1 BGEF C=C(C)[C@H](O)C=CC=Cc1ccccc1 1857623092 QANYBZUFTNCOOT-CQSZACIVSA-N 200.281 3.193 30 1 BGEF C=C(CCC=C(C)C)[C@@H]1CC(=O)C(C)=C[C@H]1O 14444417 OCULPYOOSGFLRB-DZGCQCFKSA-N 234.339 3.185 30 1 BGEF biogenic C=C[C@@](C)(O)CC/C=C(\C)[C@@H](O)CC=C(C)C 15213541 QNAJDMGVFWNPDH-WAYTWBJWSA-N 238.371 3.367 30 1 BGEF biogenic,in-vitro O=C1/C(=C/c2ccccc2)Oc2c(O)cccc21 1857598634 ROWRRSYMUALFGR-LCYFTJDESA-N 238.242 3.008 30 1 BGEF C=C(CCCC(C)(C)O)[C@@H]1CC=C(C)C(=O)C1 13377647 YQKVIOSIUPBAFL-CYBMUJFWSA-N 236.355 3.409 30 1 BGEF biogenic C/C=C/C=C/C(=O)c1cc(C)c(OC)cc1O 14488401 RIXFUJVWYPOMHN-YTXTXJHMSA-N 232.279 3.024 30 1 BGEF N#Cc1c(-c2ccco2)[nH]c2cc(F)ccc12 587636012 XFZRBJTUTMGYET-UHFFFAOYSA-N 226.210 3.439 30 1 BGEF C=C1CCC2=C(C)C(=O)O[C@@H]2[C@H]2C(=C)CC[C@@H]12 34432252 CSJSEANHUDXKOZ-UBHSHLNASA-N 230.307 3.161 30 1 BGEF C(#Cc1cccs1)COc1ccccc1 40584606 NKVLZCOKODPKKM-UHFFFAOYSA-N 214.289 3.179 30 1 BGEF CC(C)=CC(=O)[C@H]1CCC(C)=CC(=O)C[C@@H]1C 18269877 QSEXTUGQYXMUHW-JSGCOSHPSA-N 234.339 3.473 30 1 BGEF CC1=CC(=O)[C@H]2[C@H]3[C@H](C(C)C)CC[C@@]2(C)[C@H]13 100089722 CTFSUCDHRVDRKG-DJIJKHNZSA-N 218.340 3.450 30 1 BGEF in-vitro C=CC(C)(C)c1nc2cc([N+](=O)[O-])c(C)cc2[nH]1 587956152 YIKMCZCBTGCJRP-UHFFFAOYSA-N 245.282 3.243 30 1 BGEF C=C1CC[C@H](C(C)C)[C@H](O)C=C(C)CC[C@H]1O 2356499168 WQYONXWMGBWUDV-RBSFLKMASA-N 238.371 3.057 30 1 BGEF C/C1=C\CC[C@@]2(C)O[C@@H]2C(=O)c2c(C)coc2C1 13456553 CVIVANCKIBYAOP-BKILABGBSA-N 246.306 3.211 30 1 BGEF endogenous,in-man CC(C)(O)[C@@H]1CC[C@@]2(C)CCC[C@]3(CO3)[C@@H]2C1 238760403 HWVOWADURBSEPQ-GBOPCIDUSA-N 238.371 3.133 30 1 BGEF C/C1=C/CC(C)(C)/C=C/[C@H](O)[C@@]2(C)O[C@H]2CC1 169369250 AXNPQOVZRSRGEF-HDRCQSTGSA-N 236.355 3.217 30 1 BGEF C=C1O[C@@H]2CC(=C)[C@@H]3CC[C@](C)(O)[C@@H]3C[C@H]2C1=C 2356374952 KWWMYEJFOYMMQP-RBZJEDDUSA-N 246.350 3.199 30 1 BGEF C=C1[C@H]2C[C@@H](O)C[C@@]23CC[C@H](C3)C1(C)C 238751485 LRKPKMYNYQJRMD-BYNQJWBRSA-N 206.329 3.140 30 1 BGEF C=C(C(=O)O)[C@@H]1CC=C(C=CC(C)=O)[C@@H](C)CC1 2356633461 ZRGVVFJDAHZPKJ-HZMBPMFUSA-N 248.322 3.135 30 1 BGEF C=C1C(=O)O[C@@H]2CC3=CC[C@H](C)C[C@]3(C)C[C@@H]12 2356740990 AQPIMJDQWZKEOR-GCVYGYKWSA-N 232.323 3.241 30 1 BGEF C/C(=N\c1ccccc1)C1=C(O)CCCC1=O 8683715 UBFNLANNIJYXTN-XNTDXEJSSA-N 229.279 3.344 30 1 BGEF CC(C)(C)C#Cc1ccc(Cc2c[nH]cn2)cc1 14979071 PETGCFNKMVDZAC-UHFFFAOYSA-N 238.334 3.398 30 1 BGEF CC1=CC(=O)[C@@H]2[C@H]3[C@@H](C(C)C)CC[C@@]2(C)[C@H]13 104371014 CTFSUCDHRVDRKG-RCSLCFTFSA-N 218.340 3.450 30 1 BGEF in-man C=CCC1=C[C@]2(CC=C(C)C)OCOC2=CC1=O 14515840 TYDFLFGNHKORKL-HNNXBMFYSA-N 246.306 3.055 30 1 BGEF biogenic CC(=O)/C=C1/C(=O)C(CC(C)C)=C1CC(C)C 102953683 RPRYXGWQVFNNHA-RIYZIHGNSA-N 234.339 3.473 30 1 BGEF CC(C)C(c1ccc(C(=O)NO)cc1)C(C)C 1772583044 BQTJJISIRYOWRK-UHFFFAOYSA-N 235.327 3.201 30 1 BGEF CC(C)=C1C[C@]2(C)[C@@H](C)CCC[C@@H]2C(=O)C1=O 2356536948 FDSKVKWNOUGNEF-JVLSTEMRSA-N 234.339 3.307 30 1 BGEF C=CCCCCCC#CC#CC(O)=CC(C)=O 2356558159 NJLYIXSKKJGBRZ-UHFFFAOYSA-N 230.307 3.161 30 1 BGEF CC=CC=CC#CC=CC=CCCOC(C)=O 2356558204 OWDPPOSRJGPGQY-UHFFFAOYSA-N 230.307 3.188 30 1 BGEF C=C(C)[C@@H]1CC[C@]2(C)[C@@H]3[C@H]1[C@H]2CC[C@]3(C)O 238773951 DGXZNOOUXAHVAE-RHTUOURWSA-N 220.356 3.386 30 1 BGEF CCCCCC#C[C@@H]1NCCc2c(C)ccnc21 963075348 RTXQVKBGFMEFES-HNNXBMFYSA-N 242.366 3.161 30 1 BGEF C=C(C)[C@H]1CCc2cccc3c2[C@@H]1OC3=O 14659786 HPRUINVTECPGHJ-ZWNOBZJWSA-N 214.264 3.037 30 1 BGEF biogenic Cc1ccc2ccc(-c3cncc(C#N)c3)cc2n1 28823075 AYJCNPHACWMDIG-UHFFFAOYSA-N 245.285 3.477 30 1 BGEF in-vivo Fc1cccc(C#Cc2ccc3ccccc3n2)n1 95589250 NWQMFNZCSBTSBS-UHFFFAOYSA-N 248.260 3.169 30 1 BGEF Cc1ccc(C(=O)C/C=N/c2ccccn2)cc1 169687446 XVQXYWPCJZEZDN-GZTJUZNOSA-N 238.290 3.365 30 1 BGEF O=C1Nc2ccccc2[C@@H]1/C=N/c1ccccc1 169700633 QPEFRRMYOJKCMR-RKPNYOAGSA-N 236.274 3.125 30 1 BGEF C#CCN1CCC[C@H](CCc2ccc(F)cc2)C1 1857611502 KREVZPFDTHGGKA-OAHLLOKOSA-N 245.341 3.104 30 1 BGEF CC(CO)=C1C[C@]2(C)[C@@H](C)CCC[C@H]2CC1=O 2356760945 VDUFYEYMLATBTF-SLEUVZQESA-N 236.355 3.101 30 1 BGEF Cc1coc2c1[C@@](C)(O)C1=C(CCC[C@@H]1C)C2=O 13380921 VNNQNPHIASWXBS-AYVTZFPOSA-N 246.306 3.108 30 1 BGEF biogenic O=C(CC1CCCCC1)N(O)c1ccccc1 28126035 CWQVOUKPAWXTOI-UHFFFAOYSA-N 233.311 3.379 30 1 BGEF C/C=C\C#CCC/C=C\C=C/C(=O)NCC(C)C 204973403 NFFPFDVUIWBNTI-SDGGTGMTSA-N 245.366 3.231 30 1 BGEF CCCCCCCCc1cc(O)cc(O)n1 653825424 TVYSAOILNYPWAD-UHFFFAOYSA-N 223.316 3.396 30 1 BGEF C=C(CC[C@@H](O)C(C)(C)O)[C@@H]1CC=C(C)CC1 13377227 ICHZVZARHVXZEH-ZIAGYGMSSA-N 238.371 3.201 30 1 BGEF biogenic CC(C)=CC(=O)[C@H](O)[C@@H](C)CC1=CC=CCC1 13415652 ZKNLFTOBEMGDRP-SWLSCSKDSA-N 234.339 3.185 30 1 BGEF endogenous,in-man COC1=C[C@@]2(C)CCC(C(C)C)=CC2=CC1=O 14493310 CSLOJDYGJYLHDO-OAHLLOKOSA-N 232.323 3.408 30 1 BGEF biogenic CCCCCCCC(=O)NC1=CC(=O)CCC1 66157186 USNFUKCPLYEHLS-UHFFFAOYSA-N 237.343 3.100 30 1 BGEF in-vitro CO/N=C(\Cc1ccccc1)c1ccc(F)cc1 72103679 KDSPLHJMVKFBQU-BMRADRMJSA-N 243.281 3.419 30 1 BGEF COc1cc(C=NC2CCCCC2)ccc1O 1857742000 NTDSSWNLPJFUGE-UHFFFAOYSA-N 233.311 3.152 30 1 BGEF C=C1C(=O)O[C@@H]2C3=C(C)CC=C[C@@]3(C)CC[C@@H]12 2356382061 LOWUURLXSKVQTP-WHOFXGATSA-N 230.307 3.161 30 1 BGEF C[C@@H](C(=O)c1ccccc1)[n+]1cccc(Cl)c1 38142950 HMIBWQSXLUWWLB-NSHDSACASA-N 246.717 3.071 30 1 BGEF C=C1C[C@@]2(O)O[C@]3(C[C@H]2C(C)C)[C@H]1CC[C@H]3C 70454900 QRMPRVXWPCLVNI-CAEXGNQWSA-N 236.355 3.112 30 1 BGEF biogenic,in-vitro C=CCN1CC[C@@](C)(c2cccc(O)c2)[C@@H](C)C1 13832984 HJLHIMASSVYSEF-XJKSGUPXSA-N 245.366 3.178 30 1 BGEF C=C1CCC(=O)[C@@]2(C)C[C@H]2CC(C)(C)C[C@H]1O 85877887 UGRCWWGJQJTKAF-JMSVASOKSA-N 236.355 3.099 30 1 BGEF C=C1CCCC(C)(C)[C@H]1C[C@H]1C(=O)[C@@H]1CC=O 238745498 LAZAQULRWSSBPS-UPJWGTAASA-N 234.339 3.163 30 1 BGEF CC[C@H]1C[C@@H]2[C@@H]3CCC(=O)C=C3CC[C@]2(C)[C@H]1O 253632552 ABTDALAHKLLQIZ-PLTLITPRSA-N 248.366 3.099 30 1 BGEF C=C[C@@](C)(O)C[C@H]1C=C(C)[C@H](CC=C(C)C)O1 238753497 QNHVMLXVTOJGNW-QLFBSQMISA-N 236.355 3.384 30 1 BGEF C[C@@]12CCCCC1=CC=C1C(=O)C=CC=C12 2356418916 AHCCSFZXRLQQHD-OAHLLOKOSA-N 212.292 3.498 30 1 BGEF CC1=C2C(=O)[C@H](C(C)C)CC[C@@]2(C)[C@@H](O)CC1 14452626 SZNXJUGSSOHWJM-HUBLWGQQSA-N 236.355 3.099 30 1 BGEF endogenous,in-man CC(C)(C)c1ncc(C#Cc2ccccc2)cn1 40975636 AHFHADPMRBFYSV-UHFFFAOYSA-N 236.318 3.174 30 1 BGEF CCCCCCCCc1sc(=O)[nH]c1O 169728978 PQJPROZVEFXBQZ-UHFFFAOYSA-N 229.345 3.045 30 1 BGEF C=C1C(=O)O[C@H]2c3c(C)ccc(C)c3CC[C@@H]12 238787121 ZURUQOUMSVIBCE-GXTWGEPZSA-N 228.291 3.020 30 1 BGEF N#Cc1ccc(SC2CCCC2)cc1C#N 95559841 KCAGYIIVLFWRQP-UHFFFAOYSA-N 228.320 3.465 30 1 BGEF CCO/N=C/Nc1ccc(C)c(Cl)c1 103180472 RNSPIHIBWPYBLT-UHFFFAOYSA-N 212.680 3.040 30 1 BGEF C=C1O[C@@H]2C[C@@]3(C)CCCC(=C)[C@]3(O)C[C@@H]2C1=C 238730806 BRGBGTWCHCTWLY-KLHDSHLOSA-N 246.350 3.343 30 1 BGEF C=C(C)[C@@H]1CC[C@]2(C)CO[C@]3(C)C=CO[C@@]23C1 2356665026 QZRSTGGOMXWMDX-TUVASFSCSA-N 234.339 3.441 30 1 BGEF C=C1CCC[C@]2(C)CC[C@H](C(C)(C)O)C[C@]12O 15208577 XLVSKPCUSVQGDB-CFVMTHIKSA-N 238.371 3.035 30 1 BGEF biogenic C=C1C[C@H](O)[C@H](C(C)C)CCC(C)=C[C@H](O)C1 299808866 AQEMBMAEIOQGCX-KKUMJFAQSA-N 238.371 3.057 30 1 BGEF C=C[C@](C)(O)CCC[C@@](C)(O)CC=CC(=C)C 2356700660 DKXVALLHXIQEOG-GJZGRUSLSA-N 238.371 3.367 30 1 BGEF C=C1C(=O)O[C@H]2[C@H]1CCC(=C)[C@H]1CCC(=C)[C@@H]12 6361655 NETSQGRTUNRXEO-RFGFWPKPSA-N 230.307 3.017 30 1 BGEF biogenic,in-vitro CNc1scc(-c2ccc(F)cc2)c1C#N 28367515 LAPVOUBLIGSTMD-UHFFFAOYSA-N 232.283 3.468 30 1 BGEF C=CCCC1=C(C)C(=O)c2ccccc2C1=O 1857588009 TWVCGUNECQEPAK-UHFFFAOYSA-N 226.275 3.348 30 1 BGEF CC(C)CCC[C@H](C)C1=CC(=O)C=CC1=O 2356700483 OSBHHXSYNQKADV-NSHDSACASA-N 220.312 3.083 30 1 BGEF CC1=CC(=O)[C@@H]2[C@@H]3[C@H](C(C)C)CC[C@]2(C)[C@@H]13 1772599009 CTFSUCDHRVDRKG-XFZHLKPQSA-N 218.340 3.450 30 1 BGEF C=C[C@](C)(O)C[C@@H](O)C=C(C)CCC=C(C)C 2356772741 HOXSQOXCKUSHHO-GJZGRUSLSA-N 238.371 3.367 30 1 BGEF CN1CCCCC1=Nc1ccc(Cl)cc1C#N 2356834303 KAOCDCIZMSMRFA-UHFFFAOYSA-N 247.729 3.357 30 1 BGEF C=C1CC[C@@](C)(c2ccc(CO)cc2)[C@H]1C 5811363 GQYXXDVCGIBQDX-SWLSCSKDSA-N 216.324 3.423 30 1 BGEF biogenic O=C1CCCC/C1=C\c1cccc([N+](=O)[O-])c1 40955308 DDFDJWLOLZEYJK-DHZHZOJOSA-N 231.251 3.121 30 1 BGEF C=C(C)[C@@H]1CCN2CCC[C@@H](C)[C@]2(C)C1 98209044 XJMHVRNRJICXTC-MCIONIFRSA-N 207.361 3.463 30 1 BGEF in-vitro C#CCn1c(-c2ccccc2)cc2c1CCC2 1772629735 DHXGSFDMDPKBEO-UHFFFAOYSA-N 221.303 3.277 30 1 BGEF C=C1C(=O)O[C@@H]2C[C@]3(C)CCC=C(C)[C@@H]3C[C@@H]12 5437190 PQRAHHQIYITFCT-XPCVCDNBSA-N 232.323 3.241 30 1 BGEF biogenic C/C1=C\CC(C)(C)/C=C/C[C@@]2(CO)O[C@H]2CC1 14441759 VUTIDMDYYQYLMZ-BMANGSSYSA-N 236.355 3.219 30 1 BGEF C=C(C)[C@@H]1CC[C@]2(C)CC(=O)C=C(C)[C@@]23O[C@@H]13 15159958 GIOCZBPNJOEKCR-XQLPTFJDSA-N 232.323 3.036 30 1 BGEF biogenic [N-]=[N+]=Nc1cc([C@@H]2C[C@H]3CC[C@H]2N3)cnc1Cl 137591538 IXNFUEZUMBBRKA-HRDYMLBCSA-N 249.705 3.285 30 1 BGEF C=C1CC[C@@H](C(C)(C)O)C=C[C@@H](C)CCC1=O 2356554218 RJCCYTWCDOEWGM-YPMHNXCESA-N 236.355 3.265 30 1 BGEF C=CCN1C(=O)C(C)(C)Sc2ccccc21 27194179 QHTJZGFNJFQYFO-UHFFFAOYSA-N 233.336 3.090 30 1 BGEF CC(C)C[C@H](O)CC(=O)/C=C\c1ccccc1 40556669 DMDHJYLYBPYENV-CDNLZTBQSA-N 232.323 3.066 30 1 BGEF O=Cc1ccc(/C=C/C(=O)c2ccccc2)cc1 84742503 CWUGIPXYIROKSL-ZHACJKMWSA-N 236.270 3.395 30 1 BGEF C/C1=C\CC(C)(C)/C=C\[C@H](O)[C@@]2(C)O[C@H]2CC1 169369249 AXNPQOVZRSRGEF-OUQTWGMTSA-N 236.355 3.217 30 1 BGEF C=C[C@]1(C)CC[C@@H]2[C@H](OC(=O)[C@@H]2C)[C@H]1C(=C)C 238756636 LMNJALUUIMXUQQ-GEJOOGBSSA-N 234.339 3.343 30 1 BGEF Nc1ccccc1C#Cc1ccc2[nH]ccc2c1 13828906 HONZUQSNPJYXHA-UHFFFAOYSA-N 232.286 3.150 30 3 BGEF C[C@@H]1CCC=C2C(=O)CC[C@@H](C(C)(C)O)[C@]21C 59268559 LVUPOAWDACSHHD-DGFSRKRXSA-N 236.355 3.099 30 1 BGEF CC1=C2[C@@H]3O[C@]3(C)[C@@H](C)CC[C@H](C)[C@H]2CC1=O 95911297 DAHTUHNTQCWSPH-NYWQGFLHSA-N 234.339 3.115 30 1 BGEF biogenic,in-vitro CC1=CC[C@@](C)([C@@]2(C)CC[C@@H](O)[C@]23CO3)CC1 238752490 SEHFSVXLEPQZRQ-KBUPBQIOSA-N 236.355 3.053 30 1 BGEF Cc1cccc2nc(-c3cc(O)cc(C#N)c3)[nH]c12 587189303 AENIMXCFBFHMLC-UHFFFAOYSA-N 249.273 3.116 30 1 BGEF CC1=CC(=O)C[C@H](C)C=C[C@H](C(C)(C)O)CC1 2356325222 NRZAKJLNYYCGMN-YPMHNXCESA-N 236.355 3.265 30 1 BGEF C/C1=C/CC/C(C(=O)O)=C/CC(C)(C)/C=C/C1=O 14454928 BPPXABXKJZPLPR-RAZDCBATSA-N 248.322 3.279 30 1 BGEF biogenic,in-vitro O=C1Nc2ccccc2[C@H]1/C=N/c1ccccc1 169700634 QPEFRRMYOJKCMR-BVTUPMQUSA-N 236.274 3.125 30 1 BGEF O=C(/C=C/c1ccc(Cl)cc1)C(F)(F)F 26378949 QGXPLKVNEDNODZ-ZZXKWVIFSA-N 234.604 3.485 30 1 BGEF Cc1ccc(NC=C2CCCCC2=O)cc1 2356312317 OYPAKAWLLPXBDX-UHFFFAOYSA-N 215.296 3.434 30 1 BGEF C=C1CC[C@H](O)[C@@H]2CC[C@H](C(C)C)[C@@H]2C1 2356635129 SLEMTBYSKIWKRJ-MQYQWHSLSA-N 208.345 3.386 30 1 BGEF C=C1C(=O)O[C@@H]2[C@@H]1CCC(=C)[C@@H]1C[C@H](C)C(=C)[C@@H]12 2356682968 BTSWHLURRDXRKW-ZRXSREQCSA-N 244.334 3.263 30 1 BGEF C=C1[C@H]2C[C@@H](C[C@@H]2CO)[C@@]1(C)C1CCCC1 2356352493 VAAGZYITNDTUND-NMFUWQPSSA-N 220.356 3.387 30 1 BGEF C=C(C)[C@@H]1CCc2cccc3c2[C@H]1OC3=O 14659777 HPRUINVTECPGHJ-GWCFXTLKSA-N 214.264 3.037 30 1 BGEF biogenic C/C=C\C(=O)c1coc2cc([N+](=O)[O-])ccc12 587279370 HJRLZCZXJHCKJJ-IHWYPQMZSA-N 231.207 3.100 30 1 BGEF C=C[C@]1(O)CCCC=C1COCc1ccccc1 1860438 KQSBIFMFCXOBHN-INIZCTEOSA-N 244.334 3.231 30 1 BGEF CC1=C[C@H]2C(=C(C)C)C(=O)C[C@](C)(O)[C@H]2CC1 146358820 UIBWDVKGBMMWPM-XUJVJEKNSA-N 234.339 3.019 30 1 BGEF CC1=CC(=O)C[C@]2(C)CC[C@@H](C(C)(C)O)C[C@@H]12 158245710 FHYDKOXNQTYJEV-ZLDLUXBVSA-N 236.355 3.099 30 1 BGEF C=C(C)C1=C[C@H](O)[C@H](C)[C@@H]2CCC(C)=C[C@H]12 2356463879 PWXZKALLXDXZPK-DHMWGJHJSA-N 218.340 3.472 30 1 BGEF CC1=C(O)S[C@@](C)(CCC(C)C)C1=O 5882627 PHZLXCXCCBTFPS-NSHDSACASA-N 214.330 3.287 30 1 BGEF C=CCc1cc(OCC)ccc1OCC 103287545 QLVJLWGAUVNVPG-UHFFFAOYSA-N 206.285 3.213 30 1 BGEF C=C1CC[C@@H]2[C@H]([C@@H]3C[C@@](C)(O)C[C@@H]13)C2(C)C 238761842 SDULRNWHGZWIIP-PFFFPCNUSA-N 220.356 3.386 30 1 BGEF C=C(C)[C@H]1CCc2ccc(OC)c3c2[C@H]1OC3=O 2356502173 ZWXLATVUKXJMGZ-YGRLFVJLSA-N 244.290 3.045 30 1 BGEF CC(C)=CC(=O)C[C@@H](C)c1ccc(C(=O)O)cc1 14619041 KXTXCSBHGZDHPM-LLVKDONJSA-N 246.306 3.414 30 1 BGEF biogenic Oc1ccc(F)cc1/C=N/C1CCCCC1 64490653 FUYUMBFFFJMOGA-OQLLNIDSSA-N 221.275 3.283 30 1 BGEF C[C@@H]1/C(=N/O)C[C@@H](C(C)(C)C)N[C@@H]1C(C)(C)C 103221670 CUKZYHHGTGBAEG-IKVFGQJRSA-N 240.391 3.275 30 1 BGEF CCC1=C2CC[C@]3(C)[C@H](O)CC[C@@H]3[C@@H]2CCC1=O 29475499 DOTDLCMVUVGSDP-XOUADPBQSA-N 248.366 3.243 30 1 BGEF CCCCCCCc1coc(=O)c(C)c1O 1857768574 PTINTELZWNZZJI-UHFFFAOYSA-N 224.300 3.167 30 1 BGEF CC1=CC(=O)[C@@H]([C@@](C)(O)C/C=C/C(C)C)CC1 95911242 PYNUQQKEADPDEB-RFMXEPQUSA-N 236.355 3.265 30 1 BGEF biogenic,in-vitro CC(C)=CC(=O)[C@@H](O)[C@H](C)CC1=CC=CCC1 100825823 ZKNLFTOBEMGDRP-DOMZBBRYSA-N 234.339 3.185 30 1 BGEF endogenous,in-man N#C[C@@H](Cc1cccnc1)c1c[nH]c2ccccc12 145032331 RFTOGIFGAIFBAM-CYBMUJFWSA-N 247.301 3.413 30 1 BGEF C=C1C(=O)C[C@@H]2[C@@H]3O[C@]3(C)CCC=C(C)CC[C@@H]12 1857627561 UIMHJAOZYISGTJ-DARAHFNDSA-N 246.350 3.426 30 1 BGEF CC[C@@H]1C[C@@H]2[C@@H]3CCC(=O)C=C3CC[C@@]2(C)[C@H]1O 58496439 ABTDALAHKLLQIZ-NPODOCJWSA-N 248.366 3.099 30 1 BGEF CCCCCC[C@H]1Oc2ccccc2N(O)C1=O 98082354 ATWQPXMJVWHFMR-CYBMUJFWSA-N 249.310 3.140 30 1 BGEF CC/C=C/C[C@]1(C)SC(O)=C(C)C1=O 101033095 JQENVPSMBOSCMB-QRGHLMKCSA-N 212.314 3.207 30 1 BGEF Cc1cccc(C#Cc2csc(C)n2)c1 13680880 LYHRSGPNRBPYDG-UHFFFAOYSA-N 213.305 3.160 30 1 BGEF in-vivo C=C[C@@]1(C)C[C@H]2OC(=O)[C@H](C)[C@H]2C[C@@H]1C(=C)C 196738834 HHMGIPSZHRMYCD-HVNMYJMUSA-N 234.339 3.343 30 1 BGEF C=CC[C@@H]1C(=O)C[C@]2(C)[C@H](CC=C)C(=O)C[C@@]12C 299815777 YBOIABIWEKRFCE-BHTHQVBYSA-N 246.350 3.329 30 1 BGEF ON=C(C=Cc1ccccc1)C(F)(F)F 2356495940 LVGMCHSPGKIGQS-UHFFFAOYSA-N 215.174 3.092 30 1 BGEF C=C[C@](C)(O)CCC=C1CO[C@@H](C=C(C)C)C1 2356746901 YKZPUSGDQAOOKT-GJZGRUSLSA-N 236.355 3.385 30 1 BGEF C=CCc1cccc2nc([C@@](C)(O)C(C)C)[nH]c12 586886088 DPULTQORYQXPDK-HNNXBMFYSA-N 244.338 3.155 30 1 BGEF C[C@@H]1CC(=O)C([C@@]2(C)CCCC2(C)C)=CC1=O 2356445115 VMJFMEPSANWZNT-MEBBXXQBSA-N 234.339 3.307 30 1 BGEF C(#C[C@H]1C[C@H]1c1c[nH]cn1)CCC1CCCC1 13795281 FURHOQAKGUZQLH-UONOGXRCSA-N 228.339 3.487 30 1 BGEF CNC[C@H]1C[C@@H]1c1cccc2cc(C#N)ccc12 28960291 JUYWPKNJPYGGJT-CJNGLKHVSA-N 236.318 3.034 30 1 BGEF Cc1ccc(/C=C2/C(=O)c3ccncc3[C@H]2C)o1 34507158 FMELDHMCOAMSPH-JLATVTFTSA-N 239.274 3.366 30 1 BGEF biogenic,in-vitro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endogenous,in-man C=C(C)[C@@H]1CC[C@]2(C)CC[C@H](O)[C@@]3(C)O[C@@]23C1 85757118 AXKKANUAFIGTQI-KHMAMNHCSA-N 236.355 3.051 30 1 BGEF endogenous,in-man Cc1c([C@H](C)C#N)[nH]c2cc(F)ccc12 587635464 MDBKLJJVVACTAZ-SSDOTTSWSA-N 202.232 3.243 30 1 BGEF CC(C)=CC(=O)C[C@@H](C)[C@@H]1C=C[C@](C)(O)CC1 14444282 OZDOAMOSJAOPRV-NFAWXSAZSA-N 236.355 3.265 30 1 BGEF endogenous,in-man C=C(C)[C@]1(O)C[C@]2(C)C(=CC1=O)CCC[C@@H]2C 14450418 FGQOEJHZXHQVOW-TUKIKUTGSA-N 234.339 3.019 30 1 BGEF biogenic CC1=CC(=O)CC(C)(C)[C@@H]1/C=C/C(C)=C\C(=O)O 34435407 FCRACOPGPMPSHN-KVHBQHIGSA-N 248.322 3.135 30 1 BGEF in-vitro C/C=C/C=C/C#C/C=C/C=C/CCCO 238733372 DVVCIYWIFHPFME-BDPLZKCDSA-N 202.297 3.007 30 1 BGEF C=C(C)[C@H](C)N(O)c1ccc2ccccc2n1 73158738 OZPQZRYNHHVXPB-NSHDSACASA-N 228.295 3.395 30 1 BGEF CCCCCCCCCC=C[C@H](O)CN 2356573495 PCGUKDYSDYKWGO-ZDUSSCGKSA-N 213.365 3.003 30 1 BGEF CC1=C[C@H](O)C(C)(C)CCC[C@@]2(C)O[C@H]2CC1 2356575611 UGEZIAGFRNUQOR-KCQAQPDRSA-N 238.371 3.441 30 1 BGEF C=C1C[C@H]2C=C[C@]3(C[C@@H](C)C[C@H]13)[C@H]1[C@@H]2[C@]1(C)CN 85545017 KDBRUEWLDRTUFV-FZNSOMPYSA-N 243.394 3.376 30 1 BGEF biogenic,in-vitro CC(C)(C)/N=C1\C=C(O)OC12CCCCC2 101718411 MKSNHZRVMVOPJO-GXDHUFHOSA-N 223.316 3.358 30 1 BGEF O=C1C=C(/C=C/C(=O)c2ccccc2)CCC1 216879560 WXKWFWDBIWBCFW-MDZDMXLPSA-N 226.275 3.105 30 1 BGEF C=C1CCC=C(C)CC[C@H](C(C)C)[C@H](O)[C@@H]1O 2356581177 NWWKYVMTWNUWHC-KFWWJZLASA-N 238.371 3.057 30 1 BGEF CC(=CC(=O)CC(C)C)c1ccc(C(=O)O)cc1 2356598230 JKZKSWRVCVQDQC-UHFFFAOYSA-N 246.306 3.403 30 1 BGEF C=C(C)[C@]1(O)CC[C@@]2(C)CC(=O)C=C(C)[C@H]2C1 14452364 SAJFRLDIWQUNCQ-ILXRZTDVSA-N 234.339 3.019 30 1 BGEF biogenic C=C[C@](C)(O)CCc1c(C)ccc(C)c1C 14593864 IMIDCLIXDOAPMK-HNNXBMFYSA-N 218.340 3.481 30 1 BGEF biogenic CC1=C2C(=O)[C@@](O)(C(C)C)CC[C@]2(C)CCC1 15208355 ZANHXCFRKGGJIZ-GJZGRUSLSA-N 236.355 3.243 30 1 BGEF biogenic C=C1CCC[C@]2(C)C=C3OC(=O)[C@@H](C)[C@@H]3C[C@H]12 70455187 YRYJELNGMLPXRY-UUIJZJDISA-N 232.323 3.446 30 1 BGEF biogenic,in-vitro C/C=C\C=C/C#C/C=C\C=C/CCOC(C)=O 238789302 OWDPPOSRJGPGQY-XLZYYIJOSA-N 230.307 3.188 30 1 BGEF CC1=C2C=C(C(C)C)C(=O)C[C@@H](C)[C@@H]2CC1=O 2356540193 PHOOTLGNMYEPGZ-SKDRFNHKSA-N 232.323 3.083 30 1 BGEF C=CCCCC[C@H](O)C=CC#CC#CC=CC 2356617340 ZHWAUBOVHJIGHX-INIZCTEOSA-N 228.335 3.233 30 1 BGEF C=C1c2cc(O)c(C)cc2[C@H](C(C)C)C[C@@H]1O 13381388 TZQJUIQPFZWYSD-NHYWBVRUSA-N 232.323 3.218 30 1 BGEF biogenic Clc1ccccc1/C=N/Cc1cccnc1 103287701 OCXCBBIBIAMODD-MHWRWJLKSA-N 230.698 3.354 30 1 BGEF CC[C@H](O)CC/C=C/C#Cc1cccs1 14766102 BDOXYFSAWLGAAI-PCAWENJQSA-N 220.337 3.207 30 1 BGEF C/C=C/C#CC#C/C=C/C=C/CCCCC(=O)O 38789055 QRMUVFBZROTBPM-MMOYHAHMSA-N 242.318 3.327 30 1 BGEF N#Cc1cccc(/C=C/c2ccncc2)c1 215638053 ZKKUXBPNDJEHHH-SNAWJCMRSA-N 206.248 3.124 30 1 BGEF C=C1C(=O)C=C2[C@@H](C)CC[C@H]3[C@@H]([C@@H]12)C3(C)C 14856243 KIXJUGBBHBKEHB-LDZXTUBUSA-N 216.324 3.370 30 1 BGEF C=C1CC=C[C@]2(C)C=C3OC(=O)C(C)=C3C[C@@H]12 15208040 NRBVPMLNGGQOLX-SWLSCSKDSA-N 228.291 3.286 30 1 BGEF biogenic,in-vitro N#Cc1cc(/C=C/c2ccccc2)ccc1N 26502096 ZXUTVHZAQBVNPH-VOTSOKGWSA-N 220.275 3.311 30 1 BGEF N#C[C@@H]1CCC[C@@H]2SC(F)(F)C(F)(F)[C@@H]21 105517821 YGWLUAYAMMOYSR-LYFYHCNISA-N 239.237 3.270 30 1 BGEF C=C1CC[C@@H]2[C@H]([C@H]3[C@H](C)CC[C@]13O)C2(C)C 140118212 VGLUETSWKCADML-DECHUDPFSA-N 220.356 3.386 30 1 BGEF CC(=O)C=C(C)Nc1ccc(Cl)cc1 2356321164 SXTAJDWMNCVVPD-UHFFFAOYSA-N 209.676 3.245 30 1 BGEF C=C(C)[C@@H]1CC[C@@H]2C(=O)O[C@@H]3C[C@H](C)[C@H](C1)[C@@H]23 2356708484 RDYUBCVSUYWYDA-XNBXPENISA-N 234.339 3.176 30 1 BGEF CC(C)C1=CC(C)(C)CC2=C1C(=O)C[C@@]2(C)O 14444555 CDGJALSODSFJMM-OAHLLOKOSA-N 234.339 3.019 30 1 BGEF biogenic C=C1C[C@H]2OC(=O)C(=C)[C@H]2C[C@@H]2C(C)=CC[C@@H]12 105506427 KREYKRAJLBRHAZ-REWJHTLYSA-N 230.307 3.017 30 1 BGEF CC1=CC(=O)C2=C(C1=O)[C@@H](C(C)C)CC[C@H]2C 2356565823 MRBHBDRZSNAKHO-MWLCHTKSSA-N 232.323 3.083 30 1 BGEF CCc1ccc(C2=CC(=O)CC(C)(C)C2=O)cc1 61924459 LBLMRPVLBXGQHF-UHFFFAOYSA-N 242.318 3.201 30 3 BGEF C=CC(C)(C)[C@@H](C=C(C)C)OC(=O)CC 14822576 OTRUQIDANLIZDL-LLVKDONJSA-N 210.317 3.487 30 1 BGEF endogenous,in-man CC[C@H]1C[C@H]2[C@@H]3CCC(=O)C=C3CC[C@@]2(C)[C@@H]1O 29483749 ABTDALAHKLLQIZ-YRSMIWHRSA-N 248.366 3.099 30 1 BGEF C=C1CC[C@H]2[C@@H]([C@H]3[C@@H]1CC[C@@]3(C)O)C2(C)C 59586106 FRMCCTDTYSRUBE-GEJOOGBSSA-N 220.356 3.386 30 1 BGEF biogenic,in-vitro C=C(C)[C@H](O)CC[C@]1(C)[C@@H]2C[C@H]3[C@@H](C2)[C@]31C 238771745 JWTCIAANPDAOIC-FVUFVHQMSA-N 220.356 3.386 30 1 BGEF CC=CC=CC#CC=CC=CCCCO 2356420535 DVVCIYWIFHPFME-UHFFFAOYSA-N 202.297 3.007 30 1 BGEF CC(C)C[C@@H](O)CC(=O)/C=C\c1ccccc1 40556670 DMDHJYLYBPYENV-WHLNPGIBSA-N 232.323 3.066 30 1 BGEF CSC(=N/C=C\c1ccc(O)cc1)SC 14772510 VIQLDTHCJGLTLT-FPLPWBNLSA-N 239.365 3.445 30 1 BGEF N#CC[C@@]12N[C@H](Cc3ccccc31)c1ccccc12 100660028 YCPSGTGETFVEQO-IAGOWNOFSA-N 246.313 3.044 30 1 BGEF Cc1ccc(N/C=C2\C=CC=C(O)C2=O)c(C)c1 100436798 XRLISLDAXCLRQR-FMIVXFBMSA-N 241.290 3.180 30 3 BGEF C=C1C(=O)O[C@H]2C[C@]3(C)CCCC(C)=C3C[C@H]12 5368284 OTDVFDVEFZSECW-ZLDLUXBVSA-N 232.323 3.385 30 1 BGEF in-man CC(C)/N=C1\C(=O)c2ccccc2C(O)=C1Cl 4878183 LWWDHCWUGFVCRN-PTNGSMBKSA-N 249.697 3.198 30 1 BGEF N#Cc1ccc2c(C(=O)CC3CC3)coc2c1 587278813 LTXAFVJWAMKVMP-UHFFFAOYSA-N 225.247 3.287 30 1 BGEF C[C@@]12CCCCCC3=CC(=O)C=C[C@]31OCC2 206024034 SCGQJWBEHZMIDC-GJZGRUSLSA-N 232.323 3.181 30 3 BGEF O=C(O)[C@@H](CS)CCCCc1ccccc1 13472469 VYJJMVWXARXBQC-GFCCVEGCSA-N 238.352 3.030 30 1 BGEF C=C1C(=O)O[C@@]23C[C@H]1CC[C@@]2(C)CCC=C3C 2356408260 ZDPHCVCMWYMVCB-BPLDGKMQSA-N 232.323 3.385 30 1 BGEF CC[C@@H](Cc1cccs1)/N=C1\CCCCN1 169331957 IBLVCVISTHPEEH-NSHDSACASA-N 236.384 3.241 30 1 BGEF CC#CCCc1cnc2cccc3c2c1CC3 587213474 IUISPUMRLASGMX-UHFFFAOYSA-N 221.303 3.289 30 1 BGEF C#C[C@H]1CCCc2nc3cccc4c3c(c21)CC4 587216033 YQTIVMBIDONSNX-NSHDSACASA-N 233.314 3.387 30 1 BGEF CC1(C)C[C@@H]2[C@H]1CC[C@@]1(C)O[C@@H]1CC[C@@]2(C)O 13298587 KGYCKUADVHYVLM-URFZWBKFSA-N 238.371 3.131 30 1 BGEF Cc1coc2c1C[C@H]1[C@H](C)C=CC(=O)[C@]1(C)C2 15160006 IDGRBNKTZISWPG-MURWCNHISA-N 230.307 3.084 30 1 BGEF CC[C@@H](C)NC[C@H](S)c1ccccc1 621431279 ZFCAFPPIZZSHQY-PWSUYJOCSA-N 209.358 3.046 30 1 BGEF C=C1CCC=C(C)CC[C@H](C(C)C)[C@@H](O)[C@@H]1O 2356581179 NWWKYVMTWNUWHC-RBSFLKMASA-N 238.371 3.057 30 1 BGEF C=CC[C@@H]1C(=O)CC2(C)CC(=O)[C@H](CC=C)C12C 17836766 RJZMMPOEPPYYEM-RJAIZQQDSA-N 246.350 3.329 30 1 BGEF C=C[C@]12N[C@H](Cc3ccccc31)c1ccccc12 27888297 SNKVNNXKZIUUHR-SJORKVTESA-N 233.314 3.317 30 1 BGEF C=C1[C@@H]2CC[C@H]3[C@@H]2C(C)(C)CC[C@H](O)[C@@]13C 238768301 ZLLRLWHITWYTAM-BAYHKCFCSA-N 220.356 3.386 30 1 BGEF CC1=C2C[C@H](C(C)C)CC[C@@]2(C)[C@@H](O)CC1=O 2356419197 JQTMIWNKPGOIAA-BYCMXARLSA-N 236.355 3.099 30 1 BGEF Cc1cc2c(C#Cc3ccccc3)nc(C)cn2c1 29125817 XGCLZGDRPGKJGJ-UHFFFAOYSA-N 246.313 3.351 30 1 BGEF C=C1CC=C[C@@]2(C)C[C@H]3OC(=O)[C@H](C)[C@H]3C[C@@H]12 238751781 VHANAQXZAJSCOS-VVSAWPALSA-N 232.323 3.097 30 1 BGEF C=CCCCC[C@H](O)C=CC#CC=CC 2356504106 FDFGZMGALLFLNJ-AWEZNQCLSA-N 204.313 3.229 30 1 BGEF C=Cc1ccc(OC)c(C(=O)C=C(C)C)c1 14513144 CGANNMLHGVBYHU-UHFFFAOYSA-N 216.280 3.487 30 1 BGEF biogenic CC1=C[C@H](O)C(C)(C)CCC[C@]2(C)O[C@H]2CC1 2356575612 UGEZIAGFRNUQOR-YDHLFZDLSA-N 238.371 3.441 30 1 BGEF C=C1[C@@H](C)CC[C@@]2(C)C3=C(CC[C@@H]12)COC3=O 14929592 GCLXGPRAUABJSQ-ONENECBXSA-N 232.323 3.242 30 1 BGEF C=C1CC[C@@H](C(C)C)/C=C/[C@@](C)(O)CC[C@H]1O 95911609 NSIOXFVMCTYIOU-DKZXYHOFSA-N 238.371 3.057 30 1 BGEF biogenic,in-vitro CC(=O)[C@@H]1CC(=O)C2=C(C)CC[C@H](C(C)C)[C@@H]21 2356571652 XTEXPKPDBRKBPS-TYNCELHUSA-N 234.339 3.163 30 1 BGEF C=C(C)C1=C[C@H](O)[C@H](C)[C@H]2CCC(C)=C[C@H]12 2356463882 PWXZKALLXDXZPK-UXOAXIEHSA-N 218.340 3.472 30 1 BGEF O[C@H]1C#CCCCCC#C/C1=C\c1ccccc1 27860382 HFNWLGVBLBBQAL-ZQHZRZASSA-N 236.314 3.012 30 1 BGEF CC1=CC(=O)C[C@@]2(C)CC[C@@H](C(C)(C)O)C=C12 14452371 BCAFBFZQLANMLN-IAQYHMDHSA-N 234.339 3.019 30 1 BGEF biogenic CCCCCCCCCS[C@@H](C)C(N)=O 59895262 RZYSYBMLOXBABO-NSHDSACASA-N 231.405 3.344 30 1 BGEF CC(C)=CC[C@H](O)C(C)=C1CC=C(C)C(=O)C1 2356400838 LKJQQYRLCYCQSR-AWEZNQCLSA-N 234.339 3.329 30 1 BGEF C[C@H]1Cc2cc(Cl)ccc2N2C=CC(=O)C[C@@H]12 27205385 OBDCSTNDGGOQNF-XPTSAGLGSA-N 247.725 3.194 30 1 BGEF COc1ccc(/C=C2/CCCC/C2=N/O)cc1 102943543 YKKUXOGVLHUDNF-CWXQJLEJSA-N 231.295 3.483 30 1 BGEF C=CC(C)(C)c1nc2cc(OC)cc(OC)c2[nH]1 587954088 BQNPSLQAJFHGQA-UHFFFAOYSA-N 246.310 3.044 30 1 BGEF C=C1O[C@@H]2CC(=C)[C@@H]3CC[C@](C)(O)[C@H]3C[C@@H]2C1=C 2356374951 KWWMYEJFOYMMQP-NPJQDHAYSA-N 246.350 3.199 30 1 BGEF CC(C)=CCC=C(C)[C@H]1C[C@H](O)C(C)=CC1=O 2356769319 BFOSUQZIPYHFHA-KGLIPLIRSA-N 234.339 3.185 30 1 BGEF CC(C)=CC#C/C(C)=C/CCC1=CC(=O)OC1 15214199 XQDXHWGAGHZLNI-MDWZMJQESA-N 230.307 3.166 30 1 BGEF C[C@@H](S)c1cc2c3c(cccc3n1)CC2 587216578 GAXUMOOXJRPFRG-MRVPVSSYSA-N 215.321 3.324 30 1 BGEF C=CCC(C)(C)c1nc2cc(Cl)cnc2[nH]1 587954260 LKAKGBVGORWCSK-UHFFFAOYSA-N 235.718 3.465 30 1 BGEF O=C(O)c1ccc(-c2ccco2)cc1CS 1772621894 DIFWJHFKTGXPRM-UHFFFAOYSA-N 234.276 3.075 30 1 BGEF CC(C)=C1C[C@@]2(C)[C@H](CCC[C@H]2C)[C@H](O)C1=O 2356595069 RQNTUHIZYNFVBE-WAZAZEMKSA-N 236.355 3.099 30 1 BGEF C=C1[C@H](O)C[C@H]2[C@@H]3CC[C@H](C)[C@]12CC3(C)C 14718337 PXTIGSAHLHFBJH-FIRSIQCYSA-N 220.356 3.386 30 1 BGEF C=C1C(=O)O[C@@H]2[C@H]1CC[C@@]1(C)CCCC(=C)[C@H]21 15207360 XUYAKPXYKQEFPD-KYEXWDHISA-N 232.323 3.241 30 1 BGEF C=C[C@@](C)(O)CC/C=C1\CO[C@H](C=C(C)C)C1 238781393 YKZPUSGDQAOOKT-KWLXYHDNSA-N 236.355 3.385 30 1 BGEF CC/C(=N\Nc1cccc2ccccc12)C(=O)O 1911586207 BKHTXIVDHIVSRJ-NTCAYCPXSA-N 242.278 3.102 30 1 BGEF C=C(C)[C@@H]1CC(=O)C2=CC(=O)C[C@@H](C)[C@]2(C)C1 15200820 CEDQTRQWBOXWOT-HFAKWTLXSA-N 232.323 3.083 30 1 BGEF endogenous,in-man C[C@H](NC(=O)[C@H](C#N)C(C)(C)C)c1ccccc1 103180972 UYEAMGWQFXEKHP-AAEUAGOBSA-N 244.338 3.050 30 1 BGEF CC1(C)C[C@@H]2[C@H]1CC[C@]1(C)O[C@H]1CC[C@]2(C)O 169294807 KGYCKUADVHYVLM-MUGBGTHKSA-N 238.371 3.131 30 1 BGEF CC(=O)/C=C(O)\C=C/C=C/C=C\C(C)C 100308069 IRCXTHZTJSCJGT-PWNXGVJRSA-N 206.285 3.342 30 1 BGEF in-vitro CC(C)C1=C[C@]2(O)[C@@H](C)CCC[C@@]2(C)CC1=O 14452631 CRUIAACAZODGLK-CQDKDKBSSA-N 236.355 3.099 30 1 BGEF biogenic C#Cc1cccc(-c2nc3ccc(OC)cc3[nH]2)c1 586879537 GZLYZGTXXCKIJO-UHFFFAOYSA-N 248.285 3.220 30 1 BGEF C=C1C(=O)O[C@@H]2[C@@H]1CC[C@H](C)[C@H]1CCC(=C)[C@@H]12 2356545208 ODEYWUTXOUYPGX-YPCYXAEESA-N 232.323 3.097 30 1 BGEF C=C1c2cc(O)c(C)cc2[C@@H](C(C)C)C[C@@H]1O 13381386 TZQJUIQPFZWYSD-ABAIWWIYSA-N 232.323 3.218 30 1 BGEF biogenic,in-vitro C/C=C/C#CC#CC/C=C\CCCCCCO 238763939 FKQPPSYHQHKIAV-ZKAKZSDCSA-N 230.351 3.458 30 1 BGEF C=C(C)[C@]1(O)C[C@]2(C)C(=CC1=O)CCC[C@H]2C 14450416 FGQOEJHZXHQVOW-BYCMXARLSA-N 234.339 3.019 30 1 BGEF biogenic C=C(CC[C@@H](O)C(=C)C)[C@H]1CC[C@@](C)(O)[C@H]1C 14924877 WQHJZSVFGGLMGT-GBJTYRQASA-N 238.371 3.057 30 1 BGEF C=C1CC[C@@H](C(C)C)C=C[C@@](C)(O)CC[C@@H]1O 299808516 NSIOXFVMCTYIOU-QLFBSQMISA-N 238.371 3.057 30 1 BGEF C=CCC[C@@]1(C)CC(=O)c2cc(C)cc(N)c2O1 587403173 KPEXEWXSHAAKIL-HNNXBMFYSA-N 245.322 3.267 30 1 BGEF C[C@@H]1/C(=N/O)C[C@H](C(C)(C)C)N[C@@H]1C(C)(C)C 169307036 CUKZYHHGTGBAEG-UVVJAGGDSA-N 240.391 3.275 30 1 BGEF N#Cc1c(C2CCC2)[nH]c2cc([N+](=O)[O-])ccc12 587646482 BLUIORVMGPNOLW-UHFFFAOYSA-N 241.250 3.215 30 1 BGEF CC(C)Cc1ccc([C@@H]2CC(O)=CC2=O)cc1 1857762021 VQXKTFLBQBUJQB-AWEZNQCLSA-N 230.307 3.383 30 1 BGEF CCC(=O)/C=C\C=C\C#Cc1cccs1 14766108 ORPQKHRFJCPNBE-LHOHZTISSA-N 216.305 3.191 30 1 BGEF C=C[C@](C)(O)CCC=C(C)CC=CC(C)(C)O 2356576333 WPGYCMWKXXCJMW-HNNXBMFYSA-N 238.371 3.367 30 1 BGEF CC1=C2C[C@H](C(C)(C)O)CC[C@@H](C)[C@@H]2CC1=O 14454458 YXZJYDYPBCUCJX-JLLWLGSASA-N 236.355 3.099 30 1 BGEF biogenic C=C[C@@](C)(O)CCc1c(C)ccc(C)c1C 14593865 IMIDCLIXDOAPMK-OAHLLOKOSA-N 218.340 3.481 30 1 BGEF biogenic C=C1[C@H]2[C@H](C[C@H]1O)C[C@]1(C)CCC(C)(C)[C@H]21 14919833 RFAPNNWDJJWBPE-BIGJJFBESA-N 220.356 3.386 30 1 BGEF biogenic C=C1C(=O)O[C@@H]2/C=C(\C)CC/C=C/CC[C@@H]12 238746856 XVYSFJOWUXMIEN-HBUFJXBBSA-N 218.296 3.161 30 1 BGEF CC[C@H](C)c1[nH]c2cccc([N+](=O)[O-])c2c1C#N 587647082 OYTQSBYNFYIPPY-QMMMGPOBSA-N 243.266 3.461 30 1 BGEF CC(C)c1c(CC#N)[nH]c2cc([N+](=O)[O-])ccc12 587647258 SXMWLMYRKPFOEL-UHFFFAOYSA-N 243.266 3.266 30 1 BGEF C=C1[C@H]2[C@@H]3[C@H](C(C)C)CC[C@@]2(C)[C@@H]3C[C@H]1O 6036024 LPXOPRGPLUWGKB-ZYIYBEKCSA-N 220.356 3.242 30 1 BGEF C=C1C(=O)O[C@H]2C[C@]3(C)CCC=C(C)[C@@H]3C[C@@H]12 15207276 PQRAHHQIYITFCT-ABHRYQDASA-N 232.323 3.241 30 1 BGEF N#Cc1cc(Cl)c2[nH]c(C3CCC3)nc2c1 586884064 JSXFSTHDCYFCAR-UHFFFAOYSA-N 231.686 3.355 30 1 BGEF CC[C@H](C)c1[nH]c2c(C(=O)O)cccc2c1C#N 587638163 MSGDTNHVPXQFQS-QMMMGPOBSA-N 242.278 3.251 30 1 BGEF C=C1CCC=C(C)CC[C@H](C(C)C)[C@@H](O)[C@H]1O 2356581178 NWWKYVMTWNUWHC-QLFBSQMISA-N 238.371 3.057 30 1 BGEF CCCN1CCC[C@@H]2CC3=C(CCCC3=O)C[C@H]21 33966942 QLIKRYHBUISCTR-UKRRQHHQSA-N 247.382 3.320 30 1 BGEF CC1=C(O)[C@](C)(CCc2ccccc2)SC1=O 101034051 YNZGQXKLXRBUAO-AWEZNQCLSA-N 248.347 3.483 30 1 BGEF C/C1=C\CC(C)(C)/C=C\C(=O)[C@H](C)[C@H](N)CC1 169370245 SXHWJVDYMLLXKF-NWIFQQETSA-N 235.371 3.232 30 1 BGEF CC#Cc1nc2ccc(C(C)(C)C)cc2[nH]1 587953586 OGPHBHUFJMTMGC-UHFFFAOYSA-N 212.296 3.232 30 1 BGEF C=CCNC(=O)SCc1c[nH]c2ccccc12 13380041 OBOJQFIBBALTIN-UHFFFAOYSA-N 246.335 3.297 30 1 BGEF biogenic,in-vitro C/C=C/C=C/C#C/C=C\C=C/CCCO 222875769 DVVCIYWIFHPFME-JQURPYADSA-N 202.297 3.007 30 1 BGEF CC#CC[C@H]1c2ccc(F)cc2C[C@@H]2CCCN21 963118967 XYQHLRUBFFJVOF-HOCLYGCPSA-N 243.325 3.301 30 1 BGEF O/N=C1\CCC[C@@H](c2ccc(O)cc2)CC1 1857653868 OLTJBWNNCOSOHB-NOHQBZTLSA-N 219.284 3.270 30 1 BGEF C=C[C@@H]1CCC(=C)[C@H]2CCC(C(=O)OC)=C[C@@H]12 2356478539 HYMOLJMMZNNOBO-BNOWGMLFSA-N 232.323 3.264 30 1 BGEF C=C1CCC[C@@]2(C)C(=O)C=C(C(C)(C)O)C[C@@H]12 2356766218 QDJLGPYYUWPGPQ-SWLSCSKDSA-N 234.339 3.019 30 1 BGEF CC(C)=C1C(=O)CC[C@@H](C)[C@@H]2CC(=O)C(C)=C12 2356422338 MDMAYZHYSHWNFI-KOLCDFICSA-N 232.323 3.227 30 1 BGEF CC1=CC(=O)C2=C(C1=O)[C@H](C(C)C)CC[C@@H]2C 2356565824 MRBHBDRZSNAKHO-ONGXEEELSA-N 232.323 3.083 30 1 BGEF C#CC=CC[C@@H]1CC[C@H](CCC#C)[C@@H]2CCCN12 2356775643 OKKDNJLUTGCCGP-BBWFWOEESA-N 241.378 3.222 30 1 BGEF Cc1cccc2cc3c(N)c(C#N)sc3nc12 421681 MUWMCMNRTNFPQD-UHFFFAOYSA-N 239.303 3.212 30 3 BGEF CC1(C)CCC[C@@]1(C)C1=C[C@@](C)(O)C=CC1=O 14454627 IAHVMQAYDBMMQB-GJZGRUSLSA-N 234.339 3.019 30 1 BGEF biogenic c1cc(C2CCCCC2)ccc1/N=C1/NCCO1 34511361 OQDHYQDSTCOMPR-UHFFFAOYSA-N 244.338 3.342 30 1 BGEF C=C1C(=O)O[C@H]2[C@H]1CCC(=C)[C@H]1CCC(=C)[C@H]12 40422268 NETSQGRTUNRXEO-RQJABVFESA-N 230.307 3.017 30 1 BGEF CC1=C2CC[C@@]3(C)[C@@H](O)[C@H](C)C[C@@H]3[C@@H]2CCC1=O 58577116 MQUWOZCDCNPFTM-VSKQDYJJSA-N 248.366 3.099 30 1 BGEF C=C(C)[C@H](O)/C=C/C=C\c1ccccc1 73105704 QANYBZUFTNCOOT-YKDFXZQPSA-N 200.281 3.193 30 1 BGEF C=C[C@](C)(O)CCCCC=C(C)CC(C)=O 2356603175 APPMNDGEMXRQPR-AWEZNQCLSA-N 224.344 3.409 30 1 BGEF CC=CC#CC#CC=CC(=O)CCCCC 2356772646 FBYQVCKBMHGWKZ-UHFFFAOYSA-N 214.308 3.275 30 1 BGEF C[C@@H]1C(=O)C=CN2c3ccc(Cl)cc3CC[C@H]12 27205379 VKAGNHCBASQZNC-JOYOIKCWSA-N 247.725 3.194 30 1 BGEF Cc1ccc(OCC#Cc2cccc(C)n2)cc1 34584131 GMIZGDGVYPBQCS-UHFFFAOYSA-N 237.302 3.129 30 1 BGEF in-vivo CCc1ccc(C(C)C)cc1C(=O)/C=C/C(=O)O 72177577 IQNMRPQZEIOHMS-BQYQJAHWSA-N 246.306 3.196 30 1 BGEF C=C1C(=O)O[C@@H]2CC3=CCC[C@H](C)[C@@]3(C)C[C@H]12 142864160 JCQHNWRLZMISTB-XRFFLINXSA-N 232.323 3.241 30 1 BGEF biogenic Nc1ccccc1C(=O)/C=C/c1cccc(F)c1 1857610713 GKIODZVSUDCEMJ-CMDGGOBGSA-N 241.265 3.304 30 1 BGEF CC(C)[C@]12CC[C@H](C)[C@]34CC[C@H](C)[C@@]3(O4)[C@H]1O2 2356803254 WWJMBUFCDNYHOS-PKCACUDHSA-N 236.355 3.148 30 1 BGEF CCc1cc2c(N/N=C\C3CC3)ncnc2s1 40864938 PEVQQBCMNAILCG-UUASQNMZSA-N 246.339 3.061 30 1 BGEF N#Cc1c(-c2cccnc2)[nH]c2cccc(F)c12 587637104 UZEIJEYXROKTHC-UHFFFAOYSA-N 237.237 3.241 30 1 BGEF C=C(C)/C=C/c1cc2ccc(=O)oc2cc1OC 95620060 GHVNFLHFOPJJNP-SNAWJCMRSA-N 242.274 3.391 30 1 BGEF endogenous,in-man C=C1[C@@H](O)C[C@H]2[C@H]3[C@@H]1[C@]2(C)CCCC3(C)C 238764970 WAOFYFVAVCDGBJ-DKBOKBLXSA-N 220.356 3.386 30 1 BGEF CC(C)c1c(CC#N)[nH]c2cc(F)ccc12 587635775 RRRQMPWSQDMBGJ-UHFFFAOYSA-N 216.259 3.496 30 1 BGEF CC1(C)C[C@@H]2[C@@H]1CC[C@]1(C)O[C@@H]1CC[C@]21CO1 2356648583 ITCVFHPZQFFEGI-HPYVJYLESA-N 236.355 3.149 30 1 BGEF C[C@@H]1CC[C@@H]2[C@@H]1[C@@H]1[C@H](C[C@@H]3O[C@@]32C)C1(C)C 2356662779 GLKQAHXBJLGAFT-OIJJPTSBSA-N 220.356 3.482 30 1 BGEF C=C(C)[C@@H]1CC[C@]2(CO)C=CC(=O)[C@H](C)[C@@]2(C)C1 2356805329 ZSFJQJFUDFUTDS-SJXGUFTOSA-N 248.366 3.123 30 1 BGEF C=C1CC[C@@H](C(C)(C)O)/C=C/[C@H](C)CCC1=O 14453282 RJCCYTWCDOEWGM-OBGXAZDVSA-N 236.355 3.265 30 1 BGEF CC(C)[C@@]12O[C@@H]1C[C@]1(C)CCC[C@H](C)[C@@]13O[C@H]23 238781370 GTIZRJOCKYADON-MTWVNVMRSA-N 236.355 3.148 30 1 BGEF CC(C)(C)/N=C1\C(=O)[C@@]2(C)CC[C@@H]1C2(C)C 102931760 SFXLZDUFGRLXCV-YPZQGNSCSA-N 221.344 3.251 30 1 BGEF C/C(COc1cccc2ccccc12)=N\O 216882869 DQDZKUHGDHNGKQ-GXDHUFHOSA-N 215.252 3.069 30 1 BGEF C=C(C)C1=Cc2c(C)ccc(C)c2C(=O)C1=O 685935714 SOVPENXFDKVCRN-UHFFFAOYSA-N 226.275 3.028 30 1 BGEF biogenic,in-vitro O=C(CCCCCCCc1ccccc1)NO 1533130 JUCDFXVDGUXPMJ-UHFFFAOYSA-N 235.327 3.075 30 1 BGEF in-vivo C(=N/c1ccc2ccccc2n1)\c1ccccn1 36382723 VQQMJVMFNOEXHJ-GZTJUZNOSA-N 233.274 3.380 30 1 BGEF C/C=C\C#CC#C/C=C/C=C\CCCOC(C)=O 199726441 BSPUEFFDQHCPTB-BMXVTVTISA-N 242.318 3.025 30 1 BGEF CC(=CCC[C@H](C)[C@@H]1CCC(C)=CC1=O)CO 2356515913 FVWXOTXIQKDBTG-KBPBESRZSA-N 236.355 3.267 30 1 BGEF C=C(COC(=O)C(C)=CC)c1ccc(C)cc1O 2356584313 AZIQOUDJDHKSLD-UHFFFAOYSA-N 246.306 3.223 30 1 BGEF CCCCOC[C@@]1(c2ccc(C)cc2C)CO1 2356619701 QSBPKEIAKIHAOB-HNNXBMFYSA-N 234.339 3.346 30 1 BGEF C[C@@H]1CC[C@@H]2[C@H]1[C@H]1[C@@H](C[C@@H]3O[C@@]32C)C1(C)C 59587780 GLKQAHXBJLGAFT-TVOPQIJMSA-N 220.356 3.482 30 1 BGEF biogenic,in-vitro CCCCCCCCCC[C@H](CO)NCC 82150879 QBSFYYYZQKGPGD-CQSZACIVSA-N 229.408 3.488 30 1 BGEF CCCCCCCCC[C@@H]1OC(=O)C[C@@H]1OC 103625390 BGVZUQFZXIYKSV-STQMWFEESA-N 242.359 3.458 30 1 BGEF C=C1CC[C@H](O)C(C)(C)[C@H]1CCC(C)=CCO 2356516589 CPESJRIILXBEOJ-KBPBESRZSA-N 238.371 3.059 30 1 BGEF CC(C)=CC(=O)CC(C)=CCCC1=CC(=O)OC1 2356692300 QLOFUNCZFNBXPM-UHFFFAOYSA-N 248.322 3.122 30 1 BGEF CC(=O)[C@@H]1CC[C@@H]2[C@@H](CCC3=CC(=O)CC[C@@H]32)C1 8613776 FZBFFQIUPYHEAP-KOZAUXTDSA-N 246.350 3.307 30 3 BGEF C=C[C@@](C)(O)CC/C=C(\C)[C@H](O)CC=C(C)C 15213539 QNAJDMGVFWNPDH-ISJXMTRFSA-N 238.371 3.367 30 1 BGEF C=C1CC[C@H](O)[C@@]2(C)C[C@@H]3[C@@H](C(C)C)[C@@H]3[C@@H]12 59778416 WVVFQZGQVPKOMT-RBTXIFOQSA-N 220.356 3.242 30 1 BGEF C(#CC1CCCC1)c1n[nH]c2ccccc12 66251867 RAGNROXQUZBSQB-UHFFFAOYSA-N 210.280 3.105 30 1 BGEF C=C1C[C@]2(O)O[C@@]3(C[C@@H]2C(C)C)[C@H]1CC[C@H]3C 5037477 QRMPRVXWPCLVNI-KHMAMNHCSA-N 236.355 3.112 30 1 BGEF in-man C=CC[C@@H]1Cc2c(ccc3ccccc23)OC1=O 13560918 HIVDXGSTJNYIQP-GFCCVEGCSA-N 238.286 3.494 30 1 BGEF N#CCC[C@H]1[C@@H](C#N)[C@@H]2C[C@H]1[C@H]1[C@H]2[C@H]2C=C[C@@H]1C2 17249587 DDUMOHTYVYQIDE-HBMRCODRSA-N 238.334 3.134 30 1 BGEF C=C(C(=O)O)[C@H]1CC=C(/C=C/C(C)=O)[C@@H](C)CC1 29126017 ZRGVVFJDAHZPKJ-MFPXTQHRSA-N 248.322 3.135 30 1 BGEF Cc1coc2c1[C@H]1[C@H](CC[C@]3(C)O[C@H]13)[C@@H](C)C2 238766692 QMMCFHIZTWGESQ-JKJRQPDZSA-N 232.323 3.431 30 1 BGEF C=C1C[C@@]23CC(C)(C)C[C@H](O)[C@]2(C)CC[C@H]1O3 2356393982 ZLPNWSNKVQFZIT-PAPYEOQZSA-N 236.355 3.051 30 1 BGEF C=CC(=C)CCC=C(C)CC[C@H](O)C(C)(C)O 2356674427 HVSDMWRDAYGZQN-AWEZNQCLSA-N 238.371 3.367 30 1 BGEF C=C1CC[C@H]2[C@@H]([C@@H]3[C@H](C)CC[C@]13O)C2(C)C 13372998 VGLUETSWKCADML-WVFFKWQOSA-N 220.356 3.386 30 1 BGEF C=C(CC[C@H](O)C(C)(C)O)[C@H]1CC=C(C)CC1 13377224 ICHZVZARHVXZEH-KBPBESRZSA-N 238.371 3.201 30 1 BGEF biogenic C=C1C(C(=O)OC)=C[C@]2(C)CC[C@H]3[C@H](C)CC[C@]132 135947948 CSZCXCASSYBWFQ-AFCVYNCWSA-N 246.350 3.488 30 1 BGEF C=CC[C@]1(C)CCCN(Cc2ccccc2)C1=O 1638824 QNFIOOXROPFZMQ-MRXNPFEDSA-N 243.350 3.391 30 1 BGEF C=C(C(=O)O)[C@@H]1CC[C@@]2(C)CCC(C(C)=O)=C2C1 14619660 ZFAOSFXFIKLLJT-ABAIWWIYSA-N 248.322 3.113 30 1 BGEF biogenic CC1=CC(=O)[C@H]2[C@@H]3[C@H](C(C)C)CC[C@@]2(C)[C@H]13 96085587 CTFSUCDHRVDRKG-YADOHIMWSA-N 218.340 3.450 30 1 BGEF in-vitro CCON/C=N/c1c(Cl)cccc1Cl 5859382 DZRPMKHOFPOJQY-UHFFFAOYSA-N 233.098 3.194 30 1 BGEF C=C1C(=O)O[C@@H]2[C@@H]1CC[C@]1(C)CCC=C(C)[C@H]21 15207264 UHODXTMZSDNATP-BHPKHCPMSA-N 232.323 3.241 30 1 BGEF biogenic C[C@H]1C[C@H]1c1[nH]c2cc(F)ccc2c1C#N 587636018 XRYUOYGIOULACR-OIBJUYFYSA-N 214.243 3.302 30 1 BGEF CC(=CCO)CC[C@H]1C(C)=CC(=O)CC1(C)C 2356348731 COCUNEQOWXLCIK-AWEZNQCLSA-N 236.355 3.267 30 1 BGEF CC(=O)C=CC=CC=CC=Cc1cccnc1 2356429154 MJNYHZWCFFQCRW-UHFFFAOYSA-N 225.291 3.352 30 1 BGEF C=C(C)[C@@H]1CC[C@]2(CO)C=CC(=O)[C@@H](C)[C@@]2(C)C1 2356805328 ZSFJQJFUDFUTDS-RRCSTGOVSA-N 248.366 3.123 30 1 BGEF CC(=O)N(O)[C@@H](C)c1cc2ccccc2s1 180069 QHXPDZPAJHZYNT-QMMMGPOBSA-N 235.308 3.200 30 1 BGEF C=C1CC=C[C@@]2(C)C=C3OC(=O)C(C)=C3C[C@H]12 15208033 NRBVPMLNGGQOLX-DOMZBBRYSA-N 228.291 3.286 30 1 BGEF biogenic C[C@@H](N[C@H](C#N)c1ccco1)c1ccccc1 31852032 KLWWALJBHIUJQT-DGCLKSJQSA-N 226.279 3.195 30 1 BGEF CCC1=CC(=O)C[C@]1(C)[C@@]1(C)C=C[C@@](C)(O)CC1 2356698282 PMKBLBAZMBIJRX-XHSDSOJGSA-N 248.366 3.409 30 1 BGEF C[C@H](C#N)Cn1nc2cc1Oc1ccc(F)cc1-2 587875603 SJLYZPZCTXAEEH-MRVPVSSYSA-N 243.241 2.955 30 1 BGEF CCCCCCCCC=CC[C@@H](O)CN 2356630036 ZNNWOAILTFOQSW-CYBMUJFWSA-N 213.365 3.003 30 1 BGEF CCCCSc1ccc(C#N)c(OC)c1 40380219 RUUKMZBJVWOJEZ-UHFFFAOYSA-N 221.325 3.459 30 1 BGEF in-vivo C=C(C)/C=C/c1ccc2[nH]cc(CCO)c2c1 169337059 BJEPNPZEOVTCFL-ONEGZZNKSA-N 227.307 3.292 30 1 BGEF C=C(CC[C@@H](O)C(C)(C)O)[C@H]1CC=C(C)CC1 13377226 ICHZVZARHVXZEH-UONOGXRCSA-N 238.371 3.201 30 1 BGEF biogenic CC1=CC(=O)[C@@H]([C@@H](C)CCC[C@H](C)CO)CC1 238755677 MAXNBGSKPQFIED-MELADBBJSA-N 238.371 3.347 30 1 BGEF CCC1=C([C@H](C)CC)[C@H](O)[C@@](C)(CC)C1=O 2356323116 IIWDJOXUWUASCX-IIMNLJJBSA-N 224.344 3.099 30 1 BGEF CCC#CC#CC=CCOCCC(C)C 2356676027 LKZQIVWWONRZTQ-UHFFFAOYSA-N 204.313 3.022 30 1 BGEF CC(C)(C)c1[nH]c2cc([N+](=O)[O-])ccc2c1C#N 587646904 MTXSVYHXUDGSOM-UHFFFAOYSA-N 243.266 3.245 30 1 BGEF C=C1CCC(=O)[C@]2(C)CC[C@H](C(C)(C)O)C[C@@H]12 2356488723 XXXUKVXBKDQFQX-SLEUVZQESA-N 236.355 3.099 30 1 BGEF CC1=CC[C@@H](/C(C)=C\C(=O)CC(C)C)CC1=O 13377318 KXTCYNARSLCXMW-LLBKUYECSA-N 234.339 3.473 30 1 BGEF endogenous,in-man C=C1CC[C@H]2CC[C@H](CO)[C@@]23C[C@H]1C3(C)C 2356469729 YLWPFKYITUSRND-KYEXWDHISA-N 220.356 3.387 30 1 BGEF CCCCC=CC#CC#CCCCCC(=O)O 2356662537 VLPCQMHZJMTSIW-UHFFFAOYSA-N 232.323 3.385 30 1 BGEF CCCCC(=N)C1=C(O)CC(C)(C)CC1=O 5130714 AKPHPMBVRZGJMA-UHFFFAOYSA-N 223.316 3.398 30 1 BGEF C=CC(C)(C)[C@H](C=C(C)C)OC(=O)CC 14822574 OTRUQIDANLIZDL-NSHDSACASA-N 210.317 3.487 30 1 BGEF endogenous,in-man N#Cc1c([C@H]2CCCOC2)[nH]c2cccc(F)c12 587635770 RLCWXNOYLXYWMD-VIFPVBQESA-N 244.269 3.073 30 1 BGEF C=C[C@](C)(O)C[C@H]1C=C(C)[C@H](CC=C(C)C)O1 2356563120 QNHVMLXVTOJGNW-ILXRZTDVSA-N 236.355 3.384 30 1 BGEF C=C1CC[C@@H]2[C@H]([C@@H]3C[C@](C)(O)C[C@H]13)C2(C)C 2356672666 SDULRNWHGZWIIP-XLFUENPSSA-N 220.356 3.386 30 1 BGEF CC(=O)CC/C=C(\C)CC(=O)C=C(C)C 15121223 NUIWGACHQJGHHS-IZZDOVSWSA-N 208.301 3.227 30 1 BGEF O=C(/C=C/c1ccccc1Cl)C(F)(F)F 26384059 IAJCIZLVVTVUKN-AATRIKPKSA-N 234.604 3.485 30 1 BGEF C=CCN[C@@H](C)Cc1ccc(SC)cc1 49014829 QEAUILQRYNKCJK-NSHDSACASA-N 221.369 3.115 30 1 BGEF in-vivo C=CCCCCCC#CC#C/C(O)=C/C(C)=O 101561648 NJLYIXSKKJGBRZ-SQFISAMPSA-N 230.307 3.161 30 1 BGEF C=CCCCC/C=C/C=C/C#CC#C/C=C\CO 205431963 VNZGFKQARLEAQK-ZVHWMEOJSA-N 240.346 3.401 30 1 BGEF C=C1C(=O)O[C@@]23C[C@H]1CC[C@]2(C)C=CC=C(C)O3 2356420822 OPECPXOTRXOBET-SNPRPXQTSA-N 246.306 3.092 30 1 BGEF C=C(CO)c1cc2c(cc1OC)CCC[C@H]2C 2356745639 NGVSZSREECUMAG-SNVBAGLBSA-N 232.323 3.141 30 1 BGEF Cc1cccc(C#Cc2nc(C)cn3cccc23)c1 29125823 LRYUALJXKCLBKM-UHFFFAOYSA-N 246.313 3.351 30 1 BGEF CCCCCCCc1c(C)n(O)c(C)cc1=O 95583680 INTLMAGNRDECDX-UHFFFAOYSA-N 237.343 3.215 30 1 BGEF C/C1=C\C[C@]23O[C@@]2(C/C(C)=C/CC1)OC(=O)[C@@H]3C 238756312 LFCPWXRIGILHCC-JAYHIQAUSA-N 248.322 3.111 30 1 BGEF CCCCCCCCCC=C[C@@H](O)CN 2356573494 PCGUKDYSDYKWGO-CYBMUJFWSA-N 213.365 3.003 30 1 BGEF Cc1ccc(N=C2CCCCCN2C)c(C#N)c1 263592257 NOROOZYXBXRQNO-UHFFFAOYSA-N 241.338 3.403 30 3 BGEF C=C(C)[C@@H]1C[C@H](O)[C@H](C)c2cc(O)c(C)cc21 2356407065 OOQATJJYWGXKAO-ZETOZRRWSA-N 232.323 3.228 30 1 BGEF Fc1cc(F)cc(O/N=C/c2ccccc2)c1 13611113 QVASVWXOFCWOTH-CXUHLZMHSA-N 233.217 3.378 30 1 BGEF CN(C)C[C@]1(C)CC/C(=C\c2ccccc2)C1=O 17198801 CPNICNWGULREKX-UKYUDJEDSA-N 243.350 3.001 30 1 BGEF C/C1=C\CC/C(CO)=C/CC(C)(C)/C=C/C1=O 138170642 IZKAIJSKFKIFNZ-QIDRTHSXSA-N 234.339 3.187 30 1 BGEF CC[C@]1(C)C[C@H]1c1nc2cccc(C#N)c2[nH]1 586886520 CIPOOQJHECUDSM-IINYFYTJSA-N 225.295 3.338 30 1 BGEF O/N=C1\CCC[C@H](c2ccc(O)cc2)CC1 1857653869 OLTJBWNNCOSOHB-OKQWNRDOSA-N 219.284 3.270 30 1 BGEF CC1=C2c3ccc(O)cc3C[C@@]2(C)CCC1=O 34050133 GGVJORATKHOAJL-OAHLLOKOSA-N 228.291 3.091 30 1 BGEF C/C1=C\CC(C)(C)/C=C/C(=O)[C@H](C)[C@H](N)CC1 64490617 SXHWJVDYMLLXKF-QRDKOGIESA-N 235.371 3.232 30 1 BGEF C=C(C)[C@H]1CCN2CCC[C@H](C)[C@@]2(C)C1 95920591 XJMHVRNRJICXTC-MELADBBJSA-N 207.361 3.463 30 1 BGEF in-vitro C[C@@H](N=O)c1ccc(-c2ccc(C#N)n2C)cc1 169723870 GLFFFZLDMGKWMA-SNVBAGLBSA-N 239.278 3.391 30 1 BGEF CCCCCCCC=CCC[C@H](O)CN 2356466403 DWDAHMXGVSCAHG-ZDUSSCGKSA-N 213.365 3.003 30 1 BGEF CC(NC1CCCCC1)=C1C(=O)C[C@H]2[C@@H]1C2(C)C 2356599294 SQBCITVJQZPSFB-WFASDCNBSA-N 247.382 3.428 30 1 BGEF C=C(CO)[C@H]1CC[C@]2(C)CCC(=O)C(C)=C2C1 15207460 PPEAYEMIWAFAFB-SWLSCSKDSA-N 234.339 3.021 30 1 BGEF biogenic C=C1[C@H](O)C[C@H]2[C@H]3[C@@H]1[C@]2(C)CCCC3(C)C 238779869 WAOFYFVAVCDGBJ-IHWVXMPCSA-N 220.356 3.386 30 1 BGEF CC1=C2CC[C@@]3(C)[C@@H](O)[C@@H](C)C[C@@H]3[C@H]2CCC1=O 253701999 MQUWOZCDCNPFTM-SJLQNKMUSA-N 248.366 3.099 30 1 BGEF C[C@H]1C[C@@H]1c1[nH]c2cc([N+](=O)[O-])ccc2c1C#N 587647310 VJAVRNFJCWWKPK-XVKPBYJWSA-N 241.250 3.071 30 1 BGEF C=CCC[C@@]1(CC)NCCc2ccc(O)cc21 963329072 KLMYWHXPRHUUBK-OAHLLOKOSA-N 231.339 3.109 30 1 BGEF Cc1cc(C(=O)/C=C/c2ccc[nH]2)c(C)o1 98083714 MCJCAUMZWSEZEG-AATRIKPKSA-N 215.252 3.121 30 1 BGEF C=C(C)[C@H]1CC[C@]2(C)C=CC(=O)C=C2C1 2356367655 HCGLSNXCQRJVMY-SMDDNHRTSA-N 202.297 3.434 30 1 BGEF C=C1CCC[C@@]2(C)C=C3NC(=O)C(C)=C3C[C@H]12 13374155 RXTVBISZHPGQKT-DOMZBBRYSA-N 229.323 3.083 30 1 BGEF biogenic C=C(C)[C@@H]1CC[C@@]2(C)CC[C@H](O)[C@]2(C(C)=O)C1 13430830 YALFFHSIVPCNLF-CBBWQLFWSA-N 236.355 3.099 30 1 BGEF in-man CCO/C(O)=C1/CSC/C1=N\c1ccccc1 103052041 ISVQHQAODOLWFD-HEEUSZRZSA-N 249.335 3.312 30 1 BGEF C/C=C/C#CC#C/C=C/CCC(=O)CCC 215663280 ZDZSHEXCQDGPTA-SALZOXGJSA-N 214.308 3.275 30 1 BGEF CC(C)=C1C(=O)CC[C@H](C)[C@H]2C[C@H](O)C(C)=C12 238786530 BZTZLJRCICGEAO-NDMJEZRESA-N 234.339 3.019 30 1 BGEF CC1=C2C(=O)c3c(C)coc3C(=O)[C@H](C)[C@H]2CC1 2356679855 JREPATBWOYVYLR-NXEZZACHSA-N 244.290 3.330 30 1 BGEF Cc1ccc2ccc(-c3cccc(C#N)c3)nc2n1 28826037 LAVFGKYBDJIZSF-UHFFFAOYSA-N 245.285 3.477 30 1 BGEF in-vivo CC1=C[C@H](O)[C@@H]([C@]2(C)CCCC2(C)C)CC1=O 34752578 IUKKWXIPRURLDK-WHOFXGATSA-N 236.355 3.099 30 1 BGEF C=C(CC)C(=O)c1coc2cc([N+](=O)[O-])ccc12 587279958 WMOZWROBRSCKDP-UHFFFAOYSA-N 245.234 3.490 30 1 BGEF CCCc1[nH]c2cccc(F)c2c1C#N 587635997 WKBADIIAYUOJAW-UHFFFAOYSA-N 202.232 3.131 30 1 BGEF C=C1CC[C@@](C)(c2ccc(CO)cc2)[C@@H]1C 6437537 GQYXXDVCGIBQDX-IUODEOHRSA-N 216.324 3.423 30 1 BGEF biogenic C=CCc1ccc(OC(=O)/C(C)=C/C)cc1 34075158 MFVAGPYVXQOKCL-VZUCSPMQSA-N 216.280 3.287 30 1 BGEF biogenic,in-vitro C=C(C)[C@@H]1CC[C@H]2OC(=O)C(=C(C)C)C[C@H]21 238788475 KPBVZIKVRNUVCQ-WCFLWFBJSA-N 220.312 3.241 30 1 BGEF CC#CC[C@@H]1c2ccc(F)cc2C[C@H]2CCCN21 963118963 XYQHLRUBFFJVOF-GDBMZVCRSA-N 243.325 3.301 30 1 BGEF C=C1C[C@H]2CC3(C[C@H]2C1)OCC(C)(C)CO3 38284140 NHWWYYZKJAVPNW-TXEJJXNPSA-N 222.328 3.132 30 1 BGEF C=C1CC(C#N)(C#N)[C@@H]2[C@H]1C[C@@H]1CCC[C@H]12 5600835 PCSIJLYEUQGZKL-RNJOBUHISA-N 212.296 3.032 30 1 BGEF C=C/C=C/C#CC(=S)/C=C/C(=S)C#CC 14771359 PCXHNFYOAGHLJL-RINXSNKBSA-N 230.357 3.051 30 1 BGEF CC#CC#CC#C/C=C\C=C\CCCCCC=O 15269413 CBBSNXFBTMUDDB-QNRZBPGKSA-N 238.330 3.278 30 1 BGEF C=C1C(=O)O[C@@H]2C=C(C)CCC=CCC[C@H]12 2356630607 XVYSFJOWUXMIEN-CHWSQXEVSA-N 218.296 3.161 30 1 BGEF C=C(C)CN1CCC(C#N)(c2ccccc2)CC1 40429750 LUZOXVOSNJFBRE-UHFFFAOYSA-N 240.350 3.120 30 1 BGEF CCO/N=C/Nc1ccc(Cl)c(Cl)c1 103184693 SYXOHZUQHHXDMQ-UHFFFAOYSA-N 233.098 3.385 30 1 BGEF C=C1C(=O)O[C@@H]2C3=C(C)CCC[C@]3(C)CC[C@@H]12 5766682 PJPHIAMRKUNVSU-CORIIIEPSA-N 232.323 3.385 30 1 BGEF biogenic C=C1CC[C@H]2[C@H]3[C@H](C(C)(C)O)CC[C@@]2(C)[C@@H]13 257420478 FVPQQGXKOCOMAU-GEJOOGBSSA-N 220.356 3.386 30 1 BGEF endogenous,in-man CC(C)C1=CC2=C(C(=O)C[C@@]2(C)O)[C@@H](C)CC1 2356794354 LCQMNDUQIYLJLG-ZUZCIYMTSA-N 234.339 3.019 30 1 BGEF CCCS/C(=N/c1ccccc1C)NC 28330700 XTMGLZQABBIJKD-UHFFFAOYSA-N 222.357 3.345 30 1 BGEF C=C1CCC[C@]2(C)CC3=C(C[C@H]12)C(=O)C=CC3=O 43076362 BJEHSIIPDRQCJK-CZUORRHYSA-N 242.318 3.147 30 1 BGEF C/C=C/C#CC#C/C=C\C=C/CCCC=O 204978129 CWBXCZXHOHBSLY-LAFHTPKLSA-N 212.292 3.051 30 1 BGEF O/N=C1\c2ccccc2N[C@H]1c1ccccc1 1772628481 AJGNDNPBNQFRRG-YZGLPLCXSA-N 224.263 3.032 30 1 BGEF C=C1CC[C@@H]2[C@H]([C@@H]3C[C@](C)(O)C[C@@H]13)C2(C)C 2356672664 SDULRNWHGZWIIP-IHWVXMPCSA-N 220.356 3.386 30 1 BGEF C=C1C(=O)C=C2[C@H](C)CC[C@@H]3[C@H]([C@@H]12)C3(C)C 13372836 KIXJUGBBHBKEHB-DQBQHTNRSA-N 216.324 3.370 30 1 BGEF biogenic C=CC[C@H]1C[C@]2(CC=C(C)C)OCOC2=CC1=O 14515864 VNXQWRUUEVHDHT-WFASDCNBSA-N 248.322 3.135 30 1 BGEF biogenic Cc1coc2c1C(=O)C1=C(CCC[C@H]1C)C2=O 14615007 YTZQYIRYJDLTJO-SSDOTTSWSA-N 230.263 3.084 30 1 BGEF biogenic C=CC(=C)CC/C=C(\C)CC[C@H](O)C(C)(C)O 34514082 HVSDMWRDAYGZQN-SSUFTNFISA-N 238.371 3.367 30 1 BGEF C[C@H]1CC[C@H](C=O)[C@H](C=O)C2=CC(C)(C)C[C@H]21 38417950 PIDWXMMRRLYHKF-OPDFLTKYSA-N 234.339 3.019 30 1 BGEF CCCCCCCNc1cc(C)nc2ccnn12 169314436 ZOWZNFWGFTUIMW-UHFFFAOYSA-N 246.358 3.420 30 1 BGEF CC(C)=CC[C@@H](O)[C@@H](C)[C@H]1CCC(C)=CC1=O 238759075 HYETZUGKRWIYSQ-BFHYXJOUSA-N 236.355 3.265 30 1 BGEF C=CC[C@@H](C)C[C@H](CCC=CC)S(=O)(=O)O 2356802315 SCDIHKDXYSMCRF-NEPJUHHUSA-N 246.372 3.201 30 1 BGEF C/C(=N\c1ccccc1C)C1=C(O)SCC1=O 4422118 BXXHOWDIAIVEFS-NTEUORMPSA-N 247.319 3.173 30 1 BGEF CCCCN/C=N/c1ccc(-c2c[nH]cn2)cc1 13822055 VSKFYRRHNSOIKV-UHFFFAOYSA-N 242.326 3.126 30 1 BGEF C[C@@H]1CCCC2=CC(=O)C(C(C)(C)O)=C[C@@]21C 14450487 WXPKUEOZWGDJJE-MEBBXXQBSA-N 234.339 3.019 30 1 BGEF biogenic CO/N=C(/C/C=N/OC)c1ccc(C(C)C)cc1 45497164 PXZUOACDOTXGJF-AGZLXIDLSA-N 248.326 3.183 30 1 BGEF C=C1CC[C@@H]2[C@H]([C@@H]3C[C@@](C)(O)C[C@H]13)C2(C)C 2356672665 SDULRNWHGZWIIP-NTASLKFISA-N 220.356 3.386 30 1 BGEF O=C1C=C(Cc2ccccc2)c2ccccc2C1=O 13443909 HNTZNWVTUMTTOB-UHFFFAOYSA-N 248.281 3.078 30 1 BGEF C=C1C[C@@]23CC(C)(C)C[C@@H](O)[C@]2(C)CC[C@H]1O3 2356393984 ZLPNWSNKVQFZIT-RJZRQDKASA-N 236.355 3.051 30 1 BGEF C=CC(C)(C)C(=O)C=C(O)c1ccccc1 2356781471 BFXOXBABCBQIKL-UHFFFAOYSA-N 216.280 3.367 30 1 BGEF CCCCCCCC=CC=C[C@@H](O)[C@@H](C)N 2356809399 AQNTYHYSJAGMGF-ZIAGYGMSSA-N 225.376 3.167 30 1 BGEF CC1=C2CC[C@]3(C)[C@@H](C[C@@H](C)[C@H]3O)[C@H]2CCC1=O 29475914 MQUWOZCDCNPFTM-YSUGYHDXSA-N 248.366 3.099 30 1 BGEF C=C1CCC[C@]2(C)CC[C@@H]3[C@H](OC(=O)[C@@H]3C)[C@@H]12 238765706 VVFHGZOZXJXSNR-GEJOOGBSSA-N 234.339 3.321 30 1 BGEF C#CC[C@](O)(c1ccccc1)c1ccc(C)cc1 2356283799 BNYUWPCFWOHELA-KRWDZBQOSA-N 236.314 3.254 30 1 BGEF Cc1coc2c1C1=CC(=O)CC[C@H]1[C@H](C)C2 14723401 QXNNHHMTTGDESS-KCJUWKMLSA-N 216.280 3.143 30 1 BGEF biogenic C/C(=C/CC[C@H](C)O)CC1=CC(C)(C)CC1=O 96911601 QHKJUIWBOYJWOU-DSDFTUOUSA-N 236.355 3.409 30 1 BGEF C=CCC(=O)c1coc2cc(C#N)ccc12 587278854 MSGFINUPKLWKHV-UHFFFAOYSA-N 211.220 3.063 30 1 BGEF CCCCCCCC#CC#CC=CC(C)=O 2356535602 DKCBYRCFPIHFRI-UHFFFAOYSA-N 216.324 3.499 30 1 BGEF C=C1C(=O)O[C@@H]2[C@H]1CCC(=C)[C@@H]1CCC(=C)[C@@H]12 38218909 NETSQGRTUNRXEO-XDQVBPFNSA-N 230.307 3.017 30 1 BGEF biogenic,in-vitro CCCCCCCC(=O)C1=C(O)CCCC1=O 85892166 ZKFWNRXOPROJSX-UHFFFAOYSA-N 238.327 3.481 30 1 BGEF C/C=C/C=C/C#C/C=C/COC(=O)/C(C)=C/C 238739481 TWUQZXCLSSZRQZ-HCZQFTGQSA-N 230.307 3.188 30 1 BGEF N#Cc1nc(Cl)cc2nc(C=C3CCC3)[nH]c12 587965789 XWOCEKSKLFRYDD-UHFFFAOYSA-N 244.685 3.050 30 1 BGEF CC1=C[C@@H](C(C#N)C#N)C=C(c2ccccc2)O1 237854 QWFSICOHWJBJCG-CYBMUJFWSA-N 236.274 3.241 30 1 BGEF Cc1ccc(Sc2cnc(O)c(C#N)c2)cc1 95595594 ZSMUBCRJFZVEMR-UHFFFAOYSA-N 242.303 3.119 30 1 BGEF CON=CCc1ccc(OCC=C(C)C)cc1 2356589164 CCXXKTIUTYWLRV-UHFFFAOYSA-N 233.311 3.206 30 1 BGEF C/C1=C\CC(C)(C)/C=C/C(=O)[C@H](C)[C@@H](O)CC1 14454910 OIBRGSMIBZDMCG-HSDCZFFTSA-N 236.355 3.265 30 1 BGEF biogenic,in-vitro CO/N=C/Cc1ccc(OCC=C(C)C)cc1 14502799 CCXXKTIUTYWLRV-XNTDXEJSSA-N 233.311 3.206 30 1 BGEF Cc1ccccc1/C=C/C(=O)c1ccccc1N 27757298 VQMZIUSNNJQXHJ-ZHACJKMWSA-N 237.302 3.473 30 1 BGEF CCc1ccc(/C=C/C(=O)c2ccc[nH]2)o1 1772630707 MEOVAZLYFKUIEB-BQYQJAHWSA-N 215.252 3.066 30 1 BGEF CC1=CCC(C)(C)C=CC(=O)[C@H](C)[C@H](O)CC1 1857647387 OIBRGSMIBZDMCG-CHWSQXEVSA-N 236.355 3.265 30 1 BGEF C=C1C(=O)O[C@@H]2C3=C(C)CCC[C@@]3(C)CC[C@@H]12 6654971 PJPHIAMRKUNVSU-WHOFXGATSA-N 232.323 3.385 30 1 BGEF biogenic C=C[C@]1(C)CC[C@@H]2[C@@H](C)C(=O)O[C@H]2[C@H]1C(=C)C 85664117 LMNJALUUIMXUQQ-FTQJZPFOSA-N 234.339 3.343 30 1 BGEF endogenous,in-man CC(=CCC[C@@H](C)[C@H]1CCC(C)=CC1=O)CO 2356515916 FVWXOTXIQKDBTG-ZIAGYGMSSA-N 236.355 3.267 30 1 BGEF C=C(C)[C@H](O)CC[C@H](C)[C@@H]1CCC(C)=C[C@@H]1O 14859844 CDNZQVUVVDBNTE-XQLPTFJDSA-N 238.371 3.057 30 1 BGEF biogenic C=C1CCC[C@]2(C)CC[C@@](O)(C(C)C)C(=O)[C@@H]12 15208352 CGBPJGAERNQIPQ-BPLDGKMQSA-N 236.355 3.099 30 1 BGEF biogenic CC(C)(C)C(=O)/C=C\N(O)Cc1ccccc1 27405541 VPMHCNUHSJWJHG-KTKRTIGZSA-N 233.311 3.007 30 1 BGEF CCC1=C2CC[C@@]3(C)[C@@H](O)CC[C@@H]3[C@@H]2CCC1=O 29475485 DOTDLCMVUVGSDP-LUYZLQTOSA-N 248.366 3.243 30 1 BGEF CCCCCCCCCOC(=O)[C@H](O)CC 95575883 GHPSPZDCGHMBGX-GFCCVEGCSA-N 230.348 3.051 30 1 BGEF C/C=C\C#CC#C/C=C/C=C\CCCC=O 204978151 CWBXCZXHOHBSLY-MUEMXHCKSA-N 212.292 3.051 30 1 BGEF C=C1[C@H]2CC[C@@](C=O)([C@@H]2OC)[C@]1(C)C1CCCC1 2356734224 YOFAYOYDXJVGLP-LVQVYYBASA-N 248.366 3.363 30 1 BGEF C=C1C[C@H]2C=C[C@@]3(C[C@H](C)C[C@H]13)[C@@H]1[C@H]2[C@@]1(C)CN 2356766984 KDBRUEWLDRTUFV-CSLHBSPDSA-N 243.394 3.376 30 1 BGEF C=C[C@@](C)(O)CC[C@H]1C(C)(C)[C@@H]2CC[C@@]1(C)O2 14593882 ISRFSZGYYMTFME-DDHJSBNISA-N 238.371 3.297 30 1 BGEF C=C(C)C(=O)[C@H]1CCC2=CC(=O)C[C@H](C)[C@]21C 38976763 UQEVJIYDECNMHF-PSOPSSQASA-N 232.323 3.083 30 1 BGEF N#Cc1ccccc1/C=C/c1cccnc1 1772599885 TWFFHGNIUAAAPL-BQYQJAHWSA-N 206.248 3.124 30 1 BGEF C=C1C[C@H](O)[C@@]23[C@H]1C[C@@H](CC[C@H]2C)C3(C)C 197243975 NVMNSYJDDAJQAQ-BIGJJFBESA-N 220.356 3.386 30 1 BGEF CC(C)=C1C[C@]2(C)[C@@H](C)C[C@@H](O)C[C@@H]2CC1=O 238777026 YIVBFYZTSPNDJU-FUTJPDQTSA-N 236.355 3.099 30 1 BGEF C=C1CCC[C@]2(C)CC[C@@](O)(C(C)C)C(=O)[C@H]12 2356404069 CGBPJGAERNQIPQ-NWANDNLSSA-N 236.355 3.099 30 1 BGEF C=C1CC[C@](C)([C@@H]2C[C@@H]3C(CO)=C[C@@H]32)[C@H]1C 2356428638 RYPZBJYEIAAUNP-PMTDCRIQSA-N 218.340 3.163 30 1 BGEF CC1(C)CCC[C@]2(CO2)[C@@H]2CC[C@]3(C)O[C@H]3[C@@H]21 2356659673 NPCUVKWCXITFFV-MUGBGTHKSA-N 236.355 3.149 30 1 BGEF CC/C(=N/O)c1ccc(Br)s1 5734007 PQQTWLXMARBUML-UITAMQMPSA-N 234.118 3.099 30 1 BGEF C=C(C(=O)O)[C@H]1CC[C@@]2(C)CCC(=O)C(C)=C2C1 14451568 RDGFGQJFNSCICW-NHYWBVRUSA-N 248.322 3.113 30 1 BGEF biogenic C=C1COC(=O)[C@@]12C[C@@H]1CCC[C@H](C)[C@@]1(C)C2 34542857 OVXAYHNZXBOVPV-OBCWZRDOSA-N 234.339 3.322 30 1 BGEF C=C(C)[C@@H]1CC[C@]2(C)CCC(=O)C(CO)=C2C1 2356406078 MGKBQWITEFFDAG-IAQYHMDHSA-N 234.339 3.021 30 1 BGEF N#Cc1cnccc1C=Cc1ccccc1 2356766963 JVDZJIFHCWZYFJ-UHFFFAOYSA-N 206.248 3.124 30 1 BGEF CC1(C)CCC[C@H]2O[C@@H]2CCC(C)(C)C1=O 1646800 LTVIPBUWHMQWRE-GHMZBOCLSA-N 224.344 3.339 30 1 BGEF C[C@]12CC/C(=N\O)C=C1CCc1ccccc12 26293065 UYPAVIAHOGYNIC-XERWBJCMSA-N 227.307 3.441 30 1 BGEF C=C[C@]1(C)CC[C@H]2[C@H](C)C(=O)O[C@H]2[C@H]1C(=C)C 85664116 LMNJALUUIMXUQQ-RLPMIEJPSA-N 234.339 3.343 30 1 BGEF endogenous,in-man C[C@H](NC(=O)[C@@H](C#N)C(C)(C)C)c1ccccc1 103180966 UYEAMGWQFXEKHP-WCQYABFASA-N 244.338 3.050 30 1 BGEF C=C(C)[C@]1(O)CC[C@@]2(C)[C@@H]1[C@H]1[C@@H](C)CC[C@H]12 2356420192 RGLMWRGFUDRTOD-PMKSJIGOSA-N 220.356 3.386 30 1 BGEF N#C[C@H]1CCC[C@H]2SC(F)(F)C(F)(F)[C@@H]12 1640665 YGWLUAYAMMOYSR-QYNIQEEDSA-N 239.237 3.270 30 1 BGEF COc1ccc(/N=C(\C)c2ccncc2)cc1 17256195 BPUCAMLLVBHOTF-LFIBNONCSA-N 226.279 3.231 30 1 BGEF CC1=C(O)[C@](C)(Cc2cccc(C)c2)SC1=O 101074620 FFKYTIGDTKRCPH-AWEZNQCLSA-N 248.347 3.402 30 1 BGEF C=CCc1cc2c(c(CC=C(C)C)c1O)OCO2 136921963 ZHPLUDNHMHNHNE-UHFFFAOYSA-N 246.306 3.358 30 1 BGEF C/C=C\C#CC#C/C=C\C=C/CCCC=O 204978107 CWBXCZXHOHBSLY-JGFRUSCUSA-N 212.292 3.051 30 1 BGEF Cc1ccc2nc(C#Cc3ccccc3)[nH]c2c1 587953334 HZWQNUJGVKCNRC-UHFFFAOYSA-N 232.286 3.271 30 1 BGEF C=C1CCC2=C(C)CC[C@@H]3[C@H](C)C(=O)O[C@@H]3[C@@H]12 2356465633 BEOCXRAFSKTCDN-GHYVTOPFSA-N 232.323 3.241 30 1 BGEF C#Cc1cccc([C@@H]2CCCN(CCC)C2)c1 13738270 PGAXGWGBGVJKJG-MRXNPFEDSA-N 227.351 3.257 30 1 BGEF CC1=C2[C@H](O)[C@H](C(C)C)CC[C@@]2(C)CCC1=O 14452634 RAKDEZGVSLSJSS-GLQYFDAESA-N 236.355 3.099 30 1 BGEF biogenic CC1=C2c3ccc(O)cc3C[C@@]23CC[C@H](C3)C1=O 34633863 GEIBIWSZZONOLB-HWPZZCPQSA-N 240.302 3.091 30 1 BGEF CCCCCCC/C=C1\SC(=O)NC1=O 114377948 VVEOYZHPLYMRHY-HJWRWDBZSA-N 227.329 3.214 30 1 BGEF CC1=CC(=O)C[C@@H](C)C=C[C@H](C(C)(C)O)CC1 2356325213 NRZAKJLNYYCGMN-AAEUAGOBSA-N 236.355 3.265 30 1 BGEF BOC(C)(C)CCC(C)(C)CC(C)(C)C#C 2356705104 VPGDOMDXWLBGLR-UHFFFAOYSA-N 222.181 3.186 30 1 BGEF C=C1CC[C@@H](O)C(C)(C)/C=C/[C@@H](C)CCC1=O 14454918 SSWUIXHLQYARRL-ULOCGOKBSA-N 236.355 3.265 30 1 BGEF biogenic,in-vitro C=C[C@@](C)(O)CC[C@H]1C(=C)C(=O)C=CC1(C)C 14491153 ZDSWZDUWGQSTNA-SWLSCSKDSA-N 234.339 3.041 30 1 BGEF biogenic C=C(C)[C@@H]1CC[C@H]2CCC=C3C(=O)OC[C@H]3[C@@H]21 14685170 VFMYSTYSSGVVLZ-WVWOOGAGSA-N 232.323 3.098 30 1 BGEF CC1=C2C[C@](O)(C(C)C)CC[C@@H](C)[C@@H]2CC1=O 2356791008 GHLQAKFVITUUSL-GMXABZIVSA-N 236.355 3.099 30 1 BGEF CCCC#Cc1cccc(Cc2c[nH]cn2)c1 14979060 JAPGJDHRYBFKBD-UHFFFAOYSA-N 224.307 3.152 30 1 BGEF in-vivo C=C(C)[C@H]1CC=C(CCOC(C)=O)CC1 29042709 FGVBYIFVNDDCNG-ZDUSSCGKSA-N 208.301 3.242 30 1 BGEF Cc1ccc(C#C/C=C\COC(=O)C(C)C)s1 238780302 CTYCJIYJQUIHLJ-XQRVVYSFSA-N 248.347 3.163 30 1 BGEF C=C1C(=O)O[C@@H]2C[C@]3(C)CCC(O)=C(C)[C@H]3C[C@H]12 2356784779 PZQLQSNITGNRMK-CVMIBZJCSA-N 248.322 3.126 30 1 BGEF C[C@@H]1CC(=O)C=C2CCc3cc(Cl)ccc3N21 13813844 MOBQBGBOLOWQDH-SECBINFHSA-N 247.725 3.338 30 1 BGEF CC(C)C1=CC2=C(C(=O)C[C@H]2C)[C@@](C)(O)CC1 14454038 FTRAYGSWEQETHN-BMIGLBTASA-N 234.339 3.019 30 1 BGEF biogenic,in-vitro C=C(CC/C=C(/C)CO)[C@H]1CC[C@@](C)(O)CC1 101547141 BWQLMOGBKVQMOL-VSJPGEQDSA-N 238.371 3.203 30 1 BGEF C=C1CCC=C(C)CC(=O)C(=C(C)C)C[C@@H]1O 2356498465 XAEWJBWSIZVXNK-AWEZNQCLSA-N 234.339 3.329 30 1 BGEF C[n+]1ccc(C#Cc2cccc3ccccc23)cc1 27881802 NYZHNDXVHLTOAA-UHFFFAOYSA-N 244.317 3.064 30 1 BGEF C=C1C(=O)Oc2ccc3ccccc3c2[C@H]1C 84688671 XIBNTSOIARQPTM-VIFPVBQESA-N 224.259 3.419 30 1 BGEF N#C[C@H]1CCC[C@@H]2SC(F)(F)C(F)(F)[C@@H]12 17250143 YGWLUAYAMMOYSR-VQVTYTSYSA-N 239.237 3.270 30 1 BGEF C=CCC[C@@H]1CN([Si](C)(C)C(C)(C)C)C1=O 195298962 VOXGOKPQAMGQHD-LLVKDONJSA-N 239.435 3.416 30 1 BGEF Cc1coc2c1C[C@]1(C)[C@@H](C)CC[C@@H]3O[C@@]31C2 231154506 JEMHOLDSLYRZHT-HPEDKQMDSA-N 232.323 3.260 30 1 BGEF C=CC(=C)CCC=C(C)CC[C@@H](O)C(C)(C)O 2356674428 HVSDMWRDAYGZQN-CQSZACIVSA-N 238.371 3.367 30 1 BGEF CC(C)=CC/C=C(/C)[C@H]1C[C@H](O)C(C)=CC1=O 14444411 BFOSUQZIPYHFHA-QCBUVIIYSA-N 234.339 3.185 30 1 BGEF biogenic,in-vitro C=CCCCCCC#CC#C/C(O)=C\C(C)=O 101595534 NJLYIXSKKJGBRZ-FYWRMAATSA-N 230.307 3.161 30 1 BGEF CCCCC1=CC(=O)c2sccc2C1=O 5820064 HSQZSTXONVUPTH-UHFFFAOYSA-N 220.293 3.244 30 1 BGEF C=CCC(C)(C)c1nc2cccc(OC)c2[nH]1 587954296 NPYPRYNUWUWQJU-UHFFFAOYSA-N 230.311 3.425 30 1 BGEF C#CC[C@](O)(c1ccccc1)c1ccc(F)cc1 2356283913 GOOMEWGDUWHWGA-INIZCTEOSA-N 240.277 3.085 30 1 BGEF CC1=C2C=C(C(C)C)C(=O)C[C@@]2(C)CCC1=O 15206567 LLOYUVLMNHQEFN-OAHLLOKOSA-N 232.323 3.227 30 1 BGEF biogenic CCC(=N\O)/C(C)=C/c1ccc(F)c(C#N)c1 168570865 ZVWYXVAVHQKNPK-WFCWMHMYSA-N 232.258 3.341 30 1 BGEF C=C1CCC(c2coc(C=C(C)C(N)=O)c2)CC1 2356686809 TWULTRQJGUTHML-UHFFFAOYSA-N 245.322 3.382 30 1 BGEF C=C[C@@](C)(O)C[C@@H](O)C=C(C)CCC=C(C)C 2356772743 HOXSQOXCKUSHHO-LSDHHAIUSA-N 238.371 3.367 30 1 BGEF CC(=O)N(O)[C@@H](C)c1ccc(CC(C)C)cc1 27556213 HUJZZJJEIUVNDJ-NSHDSACASA-N 235.327 3.184 30 1 BGEF C=C1OC(=O)[C@H]2C[C@]3(C)CCC[C@@H](C)C3=C[C@H]12 71789421 OTPSZFCBMLHLJG-NYMYIZQJSA-N 232.323 3.446 30 1 BGEF CC(=CCC[C@H](C)[C@H]1CCC(C)=CC1=O)CO 2356515915 FVWXOTXIQKDBTG-UONOGXRCSA-N 236.355 3.267 30 1 BGEF N#Cc1cc(F)cc(-c2cc3ncccc3cn2)c1 28826023 PSQNPPVCWZBHDY-UHFFFAOYSA-N 249.248 3.308 30 1 BGEF in-vivo C=CCCCCC=CC=CC#CC#CC=CCO 2356593735 VNZGFKQARLEAQK-UHFFFAOYSA-N 240.346 3.401 30 1 BGEF CC(C)[C@]12CC[C@H](C)[C@]34CC[C@H](C)[C@@]3(O4)[C@@H]1O2 2356803253 WWJMBUFCDNYHOS-BBZRCZKMSA-N 236.355 3.148 30 1 BGEF C=C[C@]1(C)C[C@H]2OC(=O)C(C)=C2C[C@@H]1C(=C)C 15150144 IEOHWPUTLCTSCQ-UMVBOHGHSA-N 232.323 3.407 30 1 BGEF biogenic C=C(C)[C@@H]1CC[C@@]2(C)[C@H]3CC[C@@](C)(O)[C@H]2[C@H]31 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biogenic CC1=CC[C@H](C(C)=CC(=O)CC(C)(C)O)CC1 2356473925 VETWBGGPKLAQQE-ZDUSSCGKSA-N 236.355 3.409 30 1 BGEF N#Cc1c(N)cccc1Sc1cccc(F)c1 20475 ZJXCBXBCZFLMTP-UHFFFAOYSA-N 244.294 3.431 30 1 BGEF in-vivo CCON/C=N/c1ccc(Cl)cc1Cl 5859389 ILQSOZLEIKBAOK-UHFFFAOYSA-N 233.098 3.194 30 1 BGEF CC1(C)/C=C/C(=O)CC[C@@H]2O[C@@]2(C)CCC1 14594165 RUDQCXIBOPSRCQ-IOONSIDKSA-N 222.328 3.260 30 1 BGEF C=CC[C@H]1C(=O)C[C@]2(C)[C@@H](CC=C)C(=O)C[C@]12C 17193333 YBOIABIWEKRFCE-YXAMBPQSSA-N 246.350 3.329 30 1 BGEF CCC[S@+](C)CCC(=O)/C=C/c1ccccc1 27437839 PBROZFNAGCIUGW-OAGJVSPASA-N 249.399 3.317 30 1 BGEF OC1=C(/C=N/c2ccc(O)cc2)CCCC1 101468032 ATQZUNXXRSMXSK-NTEUORMPSA-N 217.268 3.481 30 1 BGEF C=CC(C)(C)c1nc2cc(OC)c(F)cc2[nH]1 587954140 FJRLFEPYVHKHBQ-UHFFFAOYSA-N 234.274 3.174 30 1 BGEF CCCNC1=CC(=O)c2cccc3cccc1c23 1857633408 FPIYFDBDCAHAGX-UHFFFAOYSA-N 237.302 3.377 30 1 BGEF C=C1CC[C@H]2C=CC[C@H](C(C)C)[C@H]2C1=O 238777451 JRPMSLZDANNJTE-UPJWGTAASA-N 204.313 3.370 30 1 BGEF C=C(CCC=C(C)C)[C@@H]1CC(=O)[C@]2(C)O[C@@H]2C1 15153263 ASPDWBKRRVOIEC-YUELXQCFSA-N 234.339 3.426 30 1 BGEF biogenic,in-vitro C=C1CC=C[C@]2(C)C=C3OC(=O)C(C)=C3C[C@H]12 15208037 NRBVPMLNGGQOLX-IUODEOHRSA-N 228.291 3.286 30 1 BGEF biogenic C=C1CC[C@H]2[C@@H]([C@@H]3C1=COC(=O)[C@H]3C)C2(C)C 85775348 LXPUJSMWDAWZIJ-BQUFFADESA-N 232.323 3.302 30 1 BGEF Cc1c(CC#N)[nH]c2ccc(F)c(Cl)c12 587630897 SLPPLLJZJFMJBM-UHFFFAOYSA-N 222.650 3.335 30 1 BGEF N#Cc1c(-c2ccoc2)[nH]c2cc(F)ccc12 587635723 PXGDLPBJDNUEHF-UHFFFAOYSA-N 226.210 3.439 30 1 BGEF CC(C)Cc1[nH]c2cccc([N+](=O)[O-])c2c1C#N 587647326 VYFQEUQCGNKBKK-UHFFFAOYSA-N 243.266 3.146 30 1 BGEF CC=CC#CCCC=CC=CC(=O)NCC(C)C 2356475711 NFFPFDVUIWBNTI-UHFFFAOYSA-N 245.366 3.231 30 1 BGEF C=C1CC[C@H](C(C)C)C=C[C@](C)(O)CC[C@@H]1O 2356501094 NSIOXFVMCTYIOU-KKUMJFAQSA-N 238.371 3.057 30 1 BGEF CC1=CC(=O)C(=C(C)C)C[C@H]2[C@@H]1CC[C@@]2(C)O 14454036 RHBOHEXDGUVIIY-OSAQELSMSA-N 234.339 3.019 30 1 BGEF endogenous,in-man O=C1C=C([C@@H]2C=CCCC2)C(=O)c2ccccc21 49803288 NURJDXOSNFTBPO-LLVKDONJSA-N 238.286 3.348 30 1 BGEF CC1=CC(=O)C([C@@]2(C)CCCC2(C)C)=C(O)C1=O 139988406 HBUYOMCSCMGQMW-OAHLLOKOSA-N 248.322 3.113 30 1 BGEF C[C@H](N=O)c1ccc(-c2ccc(C#N)n2C)cc1 169723871 GLFFFZLDMGKWMA-JTQLQIEISA-N 239.278 3.391 30 1 BGEF C=C[C@]1(C)CC[C@@H]2[C@H](C)C(=O)O[C@@H]2[C@@H]1C(=C)C 257474735 LMNJALUUIMXUQQ-WHRXGGIHSA-N 234.339 3.343 30 1 BGEF endogenous,in-man C=C1CCC[C@@]2(C)C(=O)C=C(C(C)(C)O)C[C@H]12 2356766217 QDJLGPYYUWPGPQ-IUODEOHRSA-N 234.339 3.019 30 1 BGEF C=C1CC[C@]2(O)C(=C)CC[C@@H]3[C@@H]([C@H]12)C3(C)C 13372835 HSEADIKPAODSBI-OSFYFWSMSA-N 218.340 3.306 30 1 BGEF biogenic C#CC#CC/C=C\CCCCCC(C)=O 14722516 OUTVNYVJKIBGGD-FPLPWBNLSA-N 202.297 3.109 30 1 BGEF Cc1[nH]c2cccc(F)c2c1CCC#N 587634764 DLWVBZFIVLMXKB-UHFFFAOYSA-N 202.232 3.072 30 1 BGEF C=C(CO)c1cc2c(cc1OC)CCC[C@@H]2C 2356745638 NGVSZSREECUMAG-JTQLQIEISA-N 232.323 3.141 30 1 BGEF CC(=NCc1ccccc1)c1ccc(O)cc1O 1857742260 UYOMBKBZFZFMRL-UHFFFAOYSA-N 241.290 3.107 30 1 BGEF C=C1C(=O)O[C@@H]2C[C@]3(C)CCC=C(C)[C@@H]3C[C@H]12 1557802 PQRAHHQIYITFCT-COMQUAJESA-N 232.323 3.241 30 1 BGEF biogenic Cc1cc(-n2ccc3ccncc32)ccc1C#N 73294263 PJJCUIUIEVMZBE-UHFFFAOYSA-N 233.274 3.206 30 1 BGEF C/C1=C/CC(C)(C)/C=C/C(=O)/C(C)=C\[C@H](O)C1 169370458 NBVYFPSAUFQMAK-WERPXILSSA-N 234.339 3.185 30 1 BGEF N#Cc1ccc(/C=C/c2ccccc2O)cc1 33847275 JAZINRRGQANIMG-MDZDMXLPSA-N 221.259 3.434 30 1 BGEF C=C1C(=O)OC2=C[C@]3(C)C=CCC(=C)[C@H]3C[C@@H]12 2356486404 QROHVWWVBYRBDE-ZOWXZIJZSA-N 228.291 3.142 30 1 BGEF CC=CC#CC#CC=C[C@H](O)CCCCC 2356674857 XAXGSDODPMRMAE-OAHLLOKOSA-N 216.324 3.067 30 1 BGEF O=C1CCOc2cc(C#Cc3ccccc3)ccc21 66073791 DEJKPJRVYDIZTE-UHFFFAOYSA-N 248.281 3.052 30 1 BGEF C=C1[C@H]2CC[C@@H]([C@]1(C)C1CCCC1)[C@@]2(O)OC 85546637 RXBHTDILEZJYGJ-QPSCCSFWSA-N 236.355 3.114 30 1 BGEF biogenic,in-vitro CC1=C2C=C(C(C)(C)O)CC[C@H](C)[C@@H]2CC1=O 157719184 GPHOOPDBTHHJLD-CABZTGNLSA-N 234.339 3.019 30 1 BGEF CC(C=CC[C@@]12CC(=O)O[C@@H]1O2)=CC=CC(C)C 2356404938 BEGRCIAYFKRHRI-HUUCEWRRSA-N 248.322 3.133 30 1 BGEF CC1(C)C[C@H]2[C@H]1CC[C@@]1(C)O[C@@H]1CC[C@@]2(C)O 13298589 KGYCKUADVHYVLM-BUONHZGMSA-N 238.371 3.131 30 1 BGEF C=CC(C)(C)c1nc2ccc(Cl)nc2[nH]1 587954499 XRWJFKFGNXPEJD-UHFFFAOYSA-N 221.691 3.075 30 1 BGEF C=C1CCC[C@@]2(C)C[C@@H]3OC(=O)C(C)=C3C[C@@H]12 15207325 OQYBLUDOOFOBPO-YDHLFZDLSA-N 232.323 3.385 30 1 BGEF C=CC[C@H]1C(=O)C[C@]2(C)[C@@H](CC=C)C(=O)C[C@@]12C 17193330 YBOIABIWEKRFCE-GVAFMPQTSA-N 246.350 3.329 30 1 BGEF CCCCCCCCCNC1CCNCC1 42804424 UTCANIUURVCBGW-UHFFFAOYSA-N 226.408 3.079 30 1 BGEF C=C(C)[C@]1(O)CC[C@]2(C)CCC[C@](C)(O)[C@H]2C1 238767900 FPODEVIVZNBUMT-AJNGGQMLSA-N 238.371 3.035 30 1 BGEF C=CCC(C)(C)c1nc2ccc(O)cc2[nH]1 587954286 NATCWVNDRKBDAI-UHFFFAOYSA-N 216.284 3.122 30 1 BGEF O=Nc1ccc(NOC(=O)c2ccccc2)cc1 6440893 JDYAFHQNENWHAB-UHFFFAOYSA-N 242.234 3.268 30 3 BGEF aggregator CC[C@H](C)c1[nH]c2cc([N+](=O)[O-])ccc2c1C#N 587646918 MYJCJWUKJPIVEA-QMMMGPOBSA-N 243.266 3.461 30 1 BGEF C=CC(C)(C)c1[nH]c2ccccc2c1CCNC 72127580 ASNSVGRCYSMIIU-UHFFFAOYSA-N 242.366 3.393 30 1 BGEF C=C1C(=O)O[C@]23C=C(C)CC[C@@H]2[C@@H](C)CC[C@H]13 238739482 FRCNDCUEKFCJQI-XTWPYSKKSA-N 232.323 3.241 30 1 BGEF C=C1CC[C@H](O)C(C)(C)C=C[C@@H](C)CCC1=O 2356510970 SSWUIXHLQYARRL-FZMZJTMJSA-N 236.355 3.265 30 1 BGEF CCCC#CC#CC=CC=C[C@H]1CC[C@H](OC)O1 2356600438 LWKMRSGECVFHLH-JKSUJKDBSA-N 244.334 3.057 30 1 BGEF C[C@H]1CCCC2=CC(=O)C(C(C)(C)O)=C[C@]21C 14450485 WXPKUEOZWGDJJE-BONVTDFDSA-N 234.339 3.019 30 1 BGEF biogenic C=CCN1CC[C@H]2c3ccccc3CC[C@H]2C1 26164459 LQVKLIWEHOSMFM-GOEBONIOSA-N 227.351 3.224 30 1 BGEF CC/C=C\C#CCCCCCCOC(C)=O 33955746 SXWXADDOSOYZMO-PLNGDYQASA-N 222.328 3.470 30 1 BGEF C#CCN1CCC(CCc2cccc(F)c2)CC1 1857550629 BSRWMBHGNHCXSK-UHFFFAOYSA-N 245.341 3.104 30 1 BGEF C#CCN1CCC[C@@H](/C=C/c2ccc(F)cc2)C1 1857580774 JFTOKOVDFAZOKE-NFAHFFEMSA-N 243.325 3.184 30 1 BGEF CC(=CCC[C@@H](C)[C@@H]1CCC(C)=CC1=O)CO 2356515914 FVWXOTXIQKDBTG-KGLIPLIRSA-N 236.355 3.267 30 1 BGEF CC1=CC[C@@H](/C(C)=C/C(=O)CC(C)(C)O)CC1 200736224 VETWBGGPKLAQQE-CNELAYHGSA-N 236.355 3.409 30 1 BGEF C=CC(C)=C[C@@H]1OC[C@]2(C)CCC(=O)C(C)=C12 2356620344 NYCIXAIPHCQNDD-ZFWWWQNUSA-N 232.323 3.203 30 1 BGEF C=C[C@@](C)(O)CCC=C(C)C[C@H](O)C=C(C)C 2356736113 TZCKNDPYYKEPHO-HUUCEWRRSA-N 238.371 3.367 30 1 BGEF Cc1ccc2c(c1)O[C@]1(C=O)[C@H](C)CC[C@@]21C 2356795198 IKVPMCNNGICLRF-BYCMXARLSA-N 230.307 3.013 30 1 BGEF C=C(C)[C@@H](O)CCC(=C)[C@@H]1CC=C(C)C(=O)C1 14444425 SXAYUEJYPDHZBO-KGLIPLIRSA-N 234.339 3.185 30 1 BGEF biogenic CCO/C(O)=C1/CSC/C1=N/c1ccccc1 103052047 ISVQHQAODOLWFD-XSYHWHKQSA-N 249.335 3.312 30 1 BGEF C=C1CC[C@H]2C[C@H]3[C@@H]1CC[C@@]31C[C@@]21CC(=O)O 2356551269 XODFJJSIJDSDCR-OEMOEHNSSA-N 232.323 3.234 30 1 BGEF O=C1C2=Cc3ccccc3CCN2c2ccccc21 1645544 FDIGEYFZLWQQSC-UHFFFAOYSA-N 247.297 3.287 30 1 BGEF CCC[S@@+](C)CCC(=O)/C=C/c1ccccc1 27437834 PBROZFNAGCIUGW-FVNWOWOISA-N 249.399 3.317 30 1 BGEF C[C@H](S)c1cc2c3c(cccc3n1)CC2 587216579 GAXUMOOXJRPFRG-QMMMGPOBSA-N 215.321 3.324 30 1 BGEF C#CCCC=CC=CCCC(=O)NCC(C)C 2356480082 OIORJILAYQMMNY-UHFFFAOYSA-N 233.355 3.065 30 1 BGEF C[C@H]1CC[C@H]2[C@@H]1[C@@H]1[C@@H](CC[C@@]23CO3)C1(C)C 14856375 XPGWKKLDFXNBPJ-JSXSYOHWSA-N 220.356 3.484 30 1 BGEF endogenous,in-man CCCCCCCCCn1ccnc1/C=N/O 103253216 UHJWUXOBIXPJLK-NTCAYCPXSA-N 237.347 3.442 30 1 BGEF CC(C)=C1C[C@]2(C)[C@@H](C)CCC(=O)[C@H]2CC1=O 2356791031 GHXHIYNRINKUAN-JVLSTEMRSA-N 234.339 3.307 30 1 BGEF C=C(CCC=C(C)C)[C@H]1CC(=O)C(C)=C[C@@H]1O 14444415 OCULPYOOSGFLRB-HIFRSBDPSA-N 234.339 3.185 30 1 BGEF biogenic C=C1CCC[C@@]2(C)CC3=C(C[C@@H]12)C(=O)C=CC3=O 43076359 BJEHSIIPDRQCJK-BBRMVZONSA-N 242.318 3.147 30 1 BGEF CCCCCC#CC[N+]1(C)CCCCC1 66073834 VLXDOOQXWUQNOU-UHFFFAOYSA-N 208.369 3.201 30 1 BGEF C=CCC[C@]1(CC)NCCc2ccc(O)cc21 963329071 KLMYWHXPRHUUBK-HNNXBMFYSA-N 231.339 3.109 30 1 BGEF C=C(C(=O)O)[C@@H]1CC[C@]2(C)CCC=C[C@@H]2C1 2356433473 KJSAXQYTHNRIBJ-BZPMIXESSA-N 220.312 3.400 30 1 BGEF C=C1C=C[C@H](C(C)C)CC(=O)[C@@]2(C=CC1)CO2 2356452502 SMKHYNZVNGXTPW-DZGCQCFKSA-N 232.323 3.059 30 1 BGEF CC1(C)CCC[C@]2(CO2)[C@@H]2CC[C@]3(C)O[C@@H]3[C@@H]21 2356659671 NPCUVKWCXITFFV-FPVZYODXSA-N 236.355 3.149 30 1 BGEF CC=CC1=CC(=O)[C@](C)(C=CC=CCC)O1 2356770165 YSVQGKYAKQHXOG-AWEZNQCLSA-N 218.296 3.327 30 1 BGEF C/C1=C\CC(C)(C)/C=C/C[C@@]2(C=O)O[C@@H]2CC1 14441762 VVWHSNOLOHXZLS-NLWJVXMGSA-N 234.339 3.426 30 1 BGEF CC(=O)/C=C(O)/C=C/C=C/C=C/C(C)C 238771308 IRCXTHZTJSCJGT-OAXLAHQMSA-N 206.285 3.342 30 1 BGEF CCCC#CC#C/C=C/C=C/[C@H]1CC[C@H](OC)O1 238785577 LWKMRSGECVFHLH-OATNODOTSA-N 244.334 3.057 30 1 BGEF C=C1[C@H]2C[C@@H](C[C@@H]2CO)[C@]1(C)C1CCCC1 2356352492 VAAGZYITNDTUND-NGFQHRJXSA-N 220.356 3.387 30 1 BGEF C=C(C)[C@@H]1C[C@]2(C)[C@H](C)CC[C@@H]3O[C@@]32CC1=O 2356687309 LIDIQYFRVZJBKG-WKZARQIDSA-N 234.339 3.115 30 1 BGEF CC/C=C(\C)C1=C(C)C(=O)[C@H](C)[C@H](C)O1 34304125 XNIRJJUVFFMFPY-KLCSSHHSSA-N 208.301 3.241 30 1 BGEF CCCC#CC#CCCCOC(=O)CC(C)C 13433525 NVMLEKVHEUTCIU-UHFFFAOYSA-N 234.339 3.163 30 1 BGEF endogenous,in-man CC1=CC(=O)C[C@]2(C)CC[C@@H](C(C)(C)O)C[C@H]12 14452651 FHYDKOXNQTYJEV-KYOSRNDESA-N 236.355 3.099 30 1 BGEF biogenic C=C1C(=O)O[C@@H]2C[C@H](C)[C@@H]3CC=C(C)[C@@H]3C[C@H]12 2356438426 FPYYHRVRNGJDJA-DDNRWTCHSA-N 232.323 3.097 30 1 BGEF CC(=O)C=CC[C@@H](C)[C@@H]1CCC(C)=CC1=O 2356454227 DBDPAGHPZRJFOC-YPMHNXCESA-N 220.312 3.083 30 1 BGEF COc1ccc(Cl)cc1C#C/C=C\F 587914480 BJLXSTRDHAYIOV-CLTKARDFSA-N 210.635 3.183 30 1 BGEF C=C1CC[C@@H]2C=CC[C@H](C(C)C)[C@H]2C1=O 2356699804 JRPMSLZDANNJTE-XQQFMLRXSA-N 204.313 3.370 30 1 BGEF CC(C)=C1C[C@@H]2[C@@H](CC[C@H](C)O)[C@]2(C)CC1=O 6020654 OQZCUYXRSFWCJU-ZGFBFQLVSA-N 236.355 3.099 30 1 BGEF biogenic,in-vitro CC(C)=CCC/C(C)=C1\C[C@H](O)C(C)=CC1=O 141026641 XYLPDPPGAMCDQW-CMPYXILNSA-N 234.339 3.329 30 1 BGEF CC1=CCC(C)(C)C=CC[C@]2(CO)O[C@H]2CC1 2356418759 VUTIDMDYYQYLMZ-DZGCQCFKSA-N 236.355 3.219 30 1 BGEF C=C1CC(C#N)(C#N)[C@@H]2[C@H]1C[C@H]1CCC[C@@H]21 5600834 PCSIJLYEUQGZKL-NDBYEHHHSA-N 212.296 3.032 30 1 BGEF CC(C)CN1CCC(C#N)(c2ccccc2)CC1 39378930 BFMDDWDARNVCJG-UHFFFAOYSA-N 242.366 3.200 30 1 BGEF CC1(C)/C=C\C[C@]2(C)O[C@@H]2CC[C@@]2(C)O[C@H]2C1 100783956 UFBUQKAQYQDEOE-CKAHKMEVSA-N 236.355 3.458 30 1 BGEF endogenous,in-man C=CC[C@@]1(CC=C(C)C)C=C2OCOC2=CC1=O 136922088 ZZQLYNHTKZCGJL-OAHLLOKOSA-N 246.306 3.260 30 1 BGEF C=C1CCCC(C)(C)[C@@H]1C[C@H]1C(=O)[C@H]1CC=O 2356634663 LAZAQULRWSSBPS-YNEHKIRRSA-N 234.339 3.163 30 1 BGEF C=C1CC[C@H](O)[C@@H]2CC[C@@H](C(C)C)[C@@H]2C1 2356635127 SLEMTBYSKIWKRJ-CRWXNKLISA-N 208.345 3.386 30 1 BGEF C=C[C@@](C)(O)CC/C=C(\C)C[C@@H](O)C=C(C)C 34290547 TZCKNDPYYKEPHO-WAYTWBJWSA-N 238.371 3.367 30 1 BGEF N#Cc1c(C2CCC2)[nH]c2cc(F)ccc12 587636024 XVPPUDCVHSZFRJ-UHFFFAOYSA-N 214.243 3.446 30 1 BGEF C=C1C[C@H](c2cccc(C(F)(F)F)c2)OC1=O 653901729 IUWNYAWBXJHBNB-SNVBAGLBSA-N 242.196 3.250 30 1 BGEF C=CC[C@H]1c2c(O)cccc2CC[C@H]1NCCC 27733839 PYYAICINUKGGGB-ZIAGYGMSSA-N 245.366 3.366 30 1 BGEF C#C[C@H]1CCc2c(nc3cccc4c3c2CC4)C1 587215846 WAIBIGASDSGURN-NSHDSACASA-N 233.314 3.072 30 1 BGEF C=C1CC[C@@H](O)C(C)(C)[C@H]1CCC(C)=CCO 2356516591 CPESJRIILXBEOJ-UONOGXRCSA-N 238.371 3.059 30 1 BGEF CC=CC#CC#CC=CCCC(=O)CCC 2356756893 ZDZSHEXCQDGPTA-UHFFFAOYSA-N 214.308 3.275 30 1 BGEF N#C[C@H]1[C@H]2CC[C@H](C2)[C@@H]1C(=O)c1ccccc1 4156349 UQTXKRNSFAKAPN-CRWXNKLISA-N 225.291 3.055 30 1 BGEF CC1=CC[C@]2(CC1=O)[C@H](C)CC(=O)[C@@H]2C(C)C 14413220 SXHQJMKFQDMBIW-UGFHNGPFSA-N 234.339 3.163 30 1 BGEF endogenous,in-man C=CCN1CC[C@@]2(C)c3ccccc3C[C@@H]1[C@H]2C 34743346 DCDPEUIZVWTSCT-KBRIMQKVSA-N 241.378 3.397 30 1 BGEF C=C[C@@H]1O[C@H](C)[C@@H]2C[C@H](C(C)C)C(=O)C2=C1C 143301391 HMUZLZVXSNTNFV-NDBYEHHHSA-N 234.339 3.137 30 1 BGEF O=C1CCCC/C1=C(/O)c1ccccc1[N+](=O)[O-] 100821549 NKCBLMMPMABSIN-RAXLEYEMSA-N 247.250 3.007 30 1 BGEF CC1=C(O)[C@@](C)(CC2CCC2)SC1=O 101074675 UBWZCIIOPDQJRF-LLVKDONJSA-N 212.314 3.041 30 1 BGEF N#Cc1cccc2nc(C3=CCCC3)[nH]c12 586884611 RMJLHVVWICWQIV-UHFFFAOYSA-N 209.252 3.002 30 1 BGEF Cc1c([C@H](C)C#N)[nH]c2cc([N+](=O)[O-])ccc12 587647508 ZUZLVLZJHXXSNM-SSDOTTSWSA-N 229.239 3.012 30 1 BGEF C=C(C)[C@]1(O)CC[C@]2(C)[C@@H]3CC[C@H](C)[C@H]3[C@@H]12 2356420190 RGLMWRGFUDRTOD-CMBQYIQPSA-N 220.356 3.386 30 1 BGEF C=C/C=C/CCCCCCCC#CC#CCO 15273964 SQHFYPMZLFCNGF-ONEGZZNKSA-N 230.351 3.458 30 1 BGEF C=C1CC[C@@H]2[C@@H]3[C@@H]1OC(=O)C(=C)[C@@H]3CC[C@H]2C 95909510 IQBYVMJMIXKUFB-SUDMAZQFSA-N 232.323 3.097 30 1 BGEF biogenic,in-vitro C=C(C)[C@@H]1CC[C@]2(C)[C@@H]3CC[C@@](C)(O)[C@@H]2[C@@H]13 100782070 DGXZNOOUXAHVAE-XWSJDDSLSA-N 220.356 3.386 30 1 BGEF endogenous,in-man C=C1C[C@H](O)[C@H](C(C)C)CC/C(C)=C\[C@H](O)C1 141537946 AQEMBMAEIOQGCX-HKWUHSKZSA-N 238.371 3.057 30 1 BGEF CC1(C)C[C@@H]2[C@@H]1CC[C@@]1(C)O[C@H]1CC[C@@]2(C)O 3978582 KGYCKUADVHYVLM-SZWZKDINSA-N 238.371 3.131 30 3 BGEF in-vitro CC(C)=CCCC(C)=C[C@@H]1C(=O)C(C)=C[C@H]1O 2356736696 IRYFKBHIOJHFLA-UONOGXRCSA-N 234.339 3.185 30 1 BGEF Cc1cc(C)c2[nH]c(=O)c3cc(C#N)ccc3c2c1 28645696 ANMRYIWIULSARQ-UHFFFAOYSA-N 248.285 3.170 30 1 BGEF C=C1C(=O)O[C@H]2[C@H]1CC[C@@]1(C)C=CC=C(C)[C@H]21 85757692 MKOHVWLOSUZFFH-SFDCQRBFSA-N 230.307 3.017 30 1 BGEF CC1=C(O)[C@@](C)(Cc2ccccc2C)SC1=O 101074644 JSQHUYZSBNGHMJ-CQSZACIVSA-N 248.347 3.402 30 1 BGEF C=C1C(=O)O[C@H]2[C@H]1CCC(=C)[C@@H]1C[C@H](C)C(=C)[C@H]21 238773603 BTSWHLURRDXRKW-IRKCQTEASA-N 244.334 3.263 30 1 BGEF C=C(C)[C@@H]1CC[C@]2(C)CC[C@H](O)[C@]3(C)O[C@]32C1 257382046 AXKKANUAFIGTQI-SEBNEYGDSA-N 236.355 3.051 30 1 BGEF endogenous,in-man CC[C@H](C)N=C(C)c1cc2ccccc2oc1=O 2356751711 IPIYRPDYTFLECL-JTQLQIEISA-N 243.306 3.401 30 1 BGEF CC1=C(O)S[C@](C)(CCC(C)C)C1=O 5882656 PHZLXCXCCBTFPS-LLVKDONJSA-N 214.330 3.287 30 1 BGEF O=C1/C(=C/c2ccccc2)Oc2cccc(O)c21 72108772 WGIJEMSWQJNAAW-LCYFTJDESA-N 238.242 3.008 30 1 BGEF C=C(C)[C@H]1CC(=O)[C@@H]2CC(=O)C[C@H](C)[C@]2(C)C1 100778783 FFYAYKVAOOBUBP-UHXUCMFUSA-N 234.339 3.163 30 1 BGEF endogenous,in-man CC[C@]12CCC3=C(C)C(=O)CC[C@@H]3[C@H]1CC[C@@H]2O 253635507 ZGWSYIQVEGMGSR-XRGAULLZSA-N 248.366 3.243 30 1 BGEF CC(C)=C(C)C#Cc1ccc(CCC(=O)O)cc1 653722898 QSYCPHHSWIZVER-UHFFFAOYSA-N 242.318 3.412 30 1 BGEF CC(C=CC[C@@]12CC(=O)O[C@H]1O2)=CC=CC(C)C 2356404939 BEGRCIAYFKRHRI-LSDHHAIUSA-N 248.322 3.133 30 1 BGEF C=C[C@](C)(O)CC=CC(C)=CC(=O)C=C(C)C 2356551223 VJTLYZMVAHGVGD-HNNXBMFYSA-N 234.339 3.351 30 1 BGEF C=CCC[C@@H](O)c1cc(C)c(O)c(C)c1 6484496 ZPYXXKBGYSHNDC-GFCCVEGCSA-N 206.285 3.009 30 1 BGEF C=C(CC[C@H](O)C(C)(C)O)[C@@H]1CC=C(C)CC1 13377225 ICHZVZARHVXZEH-KGLIPLIRSA-N 238.371 3.201 30 1 BGEF biogenic CN/C(=N\c1ccc(C)cc1)SC(C)C 28331535 YWPRPMCAYJAISU-UHFFFAOYSA-N 222.357 3.344 30 1 BGEF C=C1C(=O)O[C@H]2C(C)=CC[C@@H]3[C@@H](C)CC[C@H]1[C@H]23 238737697 YNGRUBMFJCWPHB-YVUXVULOSA-N 232.323 3.097 30 1 BGEF Cc1nc(NCC(C)C)c2ccccc2c1C#N 653723607 LROVWJLOLCAMMI-UHFFFAOYSA-N 239.322 3.483 30 1 BGEF Cc1ccc(Nc2nc3cc(C#N)ccc3[nH]2)cc1 84672411 BTMILTGAEMVSJA-UHFFFAOYSA-N 248.289 3.487 30 1 BGEF C=CC(C)(C)c1nc2cccc(OC)c2[nH]1 587954905 HQZYPXDAPIIDLK-UHFFFAOYSA-N 216.284 3.035 30 1 BGEF CC#CC[C@H]1c2ccc(F)cc2C[C@H]2CCCN12 963118968 XYQHLRUBFFJVOF-ZBFHGGJFSA-N 243.325 3.301 30 1 BGEF CC1=C2C[C@H](C(C)C)CC[C@@]2(C)[C@H](O)CC1=O 207192116 JQTMIWNKPGOIAA-KCPJHIHWSA-N 236.355 3.099 30 1 BGEF C=CC[C@H]1Cc2c(ccc3ccccc23)OC1=O 13560919 HIVDXGSTJNYIQP-LBPRGKRZSA-N 238.286 3.494 30 1 BGEF C=CCN[C@@H]1CCc2ccccc2[C@@H]1CC=C 27732944 JONSUOPOTLJXPM-JKSUJKDBSA-N 227.351 3.437 30 1 BGEF CC[C@H]1C[C@@H]2[C@@H]3CCC(=O)C=C3CC[C@@]2(C)[C@H]1O 58475564 ABTDALAHKLLQIZ-AHMITGRASA-N 248.366 3.099 30 1 BGEF CCCCCCCCCOC(=S)NC 1618958 HNPYEGXKNYOIHI-UHFFFAOYSA-N 217.378 3.258 30 1 BGEF CCCC/C=C1\CC[C@@H](CN2CCCC2)C1=O 1631987 PYEMAMVAEKFODM-GUNGLEHYSA-N 235.371 3.178 30 1 BGEF CN/N=C/c1ccc(Oc2ccc(F)cc2)cc1 29041295 UVZCODFAKUGQON-LICLKQGHSA-N 244.269 3.171 30 1 BGEF C=C1CCC[C@]2(C)CC[C@@H](C(C)(C)O)C[C@@]12O 85757953 XLVSKPCUSVQGDB-BPLDGKMQSA-N 238.371 3.035 30 1 BGEF CC(C)(C#N)c1ccc(-c2ccc(C#N)cn2)cc1 96929162 PYYBOGYOOPOMJP-UHFFFAOYSA-N 247.301 3.421 30 1 BGEF C=CCCC/C=C\C=C\C#CC#CC#CC 205391148 DAXAIPLUUQVVDQ-LBYPNCLISA-N 208.304 3.485 30 1 BGEF CC1(C)CC(O)=C2C(=O)c3ccccc3C=C2O1 1772638332 KFGAFEUNXXEBGV-UHFFFAOYSA-N 242.274 3.235 30 1 BGEF C[C@H]1C[C@H]1c1[nH]c2cc([N+](=O)[O-])ccc2c1C#N 587647308 VJAVRNFJCWWKPK-OIBJUYFYSA-N 241.250 3.071 30 1 BGEF C=C1C(=O)O[C@@H]2C=C3CCC[C@H](C)[C@]3(C)C[C@@H]12 15200702 OAPAQBTVYKCGMG-WTKQLKIWSA-N 232.323 3.241 30 1 BGEF biogenic C=C(C)[C@H]1CC(=O)[C@H]2CC(=O)C[C@@H](C)[C@]2(C)C1 100778777 FFYAYKVAOOBUBP-OICBVUGWSA-N 234.339 3.163 30 1 BGEF endogenous,in-man C/C1=C/CC/C(C)=C/C/C(=C(/C)CO)C(=O)C1 140089899 OYONKNQJEXRUQZ-IJHCSQTGSA-N 234.339 3.331 30 1 BGEF C=CCCC/C=C\CC#CC#C[C@@H](O)CC 238738884 KWLPBQVEAVSPLL-CDNLZTBQSA-N 216.324 3.067 30 1 BGEF C=C1C(=O)O[C@@H]2C=C3CCC[C@H](C)[C@@]3(C)C[C@H]12 238767205 OAPAQBTVYKCGMG-XRFFLINXSA-N 232.323 3.241 30 1 BGEF C[C@H]1Cc2cc(Cl)ccc2N2CCC(=O)C=C12 13813833 DIDYGJJHMJNMJM-VIFPVBQESA-N 247.725 3.195 30 1 BGEF C/C=C/C(C)=C/[C@@]1(C)SC(O)=C(C)C1=O 101074684 BMJYOERTQWADOU-SJFBBLFCSA-N 224.325 3.373 30 1 BGEF C=C(C)[C@H]1CC=C(C)/C(=N/CCCC(=O)O)C1 103195634 YQLBTWHGPOIMPG-PRSJPOKTSA-N 235.327 3.225 30 1 BGEF C/C=C\C#CC#CC/C=C/CCCCOC(C)=O 238787722 CHYMZOFPJIPFFY-CSWDMDPZSA-N 244.334 3.249 30 1 BGEF C=C[C@@](C)(O)C[C@H](O)C=C(C)CCC=C(C)C 2356772742 HOXSQOXCKUSHHO-HUUCEWRRSA-N 238.371 3.367 30 1 BGEF C=CC(C)(C)c1nc2cccc(F)c2[nH]1 587954502 XVKODHXAPOUPJN-UHFFFAOYSA-N 204.248 3.166 30 1 BGEF CCCCCC=CCC#CC#CC=CCO 2356518282 LQTQHFYCEDKVEJ-UHFFFAOYSA-N 216.324 3.068 30 1 BGEF C=CC(C)(C)c1nc2ccc(F)c(C)c2[nH]1 587954087 BPQRXEQBDHKZMB-UHFFFAOYSA-N 218.275 3.474 30 1 BGEF C=C1C(=O)O[C@H]2C[C@]3(C)CCCC(C)=C3C[C@@H]12 5368283 OTDVFDVEFZSECW-WHOFXGATSA-N 232.323 3.385 30 1 BGEF in-man CC(C)CC(=O)C(O)=Cc1ccccc1 2356325872 RPSUFEMNNHGYMO-UHFFFAOYSA-N 204.269 3.201 30 1 BGEF CC1=CC[C@]23O[C@]2(CC(C)=CCC1)OC(=O)[C@@H]3C 2356425847 LFCPWXRIGILHCC-CFVMTHIKSA-N 248.322 3.111 30 1 BGEF C=C[C@](C)(O)CCC1=C(C)CCC(=O)C1(C)C 14491170 WUDGRNTXCODRSB-HNNXBMFYSA-N 236.355 3.409 30 1 BGEF biogenic CC(C)(C)c1[nH]c2cccc(F)c2c1C#N 587635787 SLDASVXAIPJHPW-UHFFFAOYSA-N 216.259 3.476 30 1 BGEF C[C@@H]1CCC=C2CC[C@]3(C[C@]21C)O[C@]3(C)CO 1772608484 ADFQHGXTPZLUIB-FAAHXZRKSA-N 236.355 3.053 30 1 BGEF C=C1C=C[C@@H](C(C)C)CC(=O)[C@]2(C=CC1)CO2 2356452503 SMKHYNZVNGXTPW-HIFRSBDPSA-N 232.323 3.059 30 1 BGEF C=C1CC=C[C@@]2(C)C=C3OC(=O)C(=C)[C@H]3C[C@@H]12 2356486403 QROHVWWVBYRBDE-XUJVJEKNSA-N 228.291 3.142 30 1 BGEF N#Cc1cccc(-c2ccn(-c3ccccn3)c2)c1 13582310 GXXRNNGNWUNPKZ-UHFFFAOYSA-N 245.285 3.411 30 1 BGEF in-vivo C[C@H]1C[C@@H]1c1[nH]c2cccc(F)c2c1C#N 587635283 JIVAVROGDGWVCO-YUMQZZPRSA-N 214.243 3.302 30 1 BGEF Cc1c([C@@H](C)C#N)[nH]c2cccc([N+](=O)[O-])c12 587646720 ISPUEEYGUSBQBH-ZETCQYMHSA-N 229.239 3.012 30 1 BGEF C=CC(C)(C)c1nc2ccnc(Cl)c2[nH]1 587954347 PVQRKJVKHJQLEA-UHFFFAOYSA-N 221.691 3.075 30 1 BGEF CC(=CC(=O)C(F)(F)F)c1ccccc1 2356356998 PMSHMNSUFNWMTI-UHFFFAOYSA-N 214.186 3.221 30 1 BGEF C=C1C(=O)O[C@@H]2c3c(C)ccc(C)c3CC[C@@H]12 2356428853 ZURUQOUMSVIBCE-JSGCOSHPSA-N 228.291 3.020 30 1 BGEF C=C(C)C=C[C@@H](CCC(=O)OC)C(C)C 2356483297 ILAHHKIQUIDZFP-LBPRGKRZSA-N 210.317 3.344 30 1 BGEF C=C1C(=O)O[C@H]2[C@@H]1CCC1=CCC[C@H](C)[C@]12C 33830936 MCWIBQXSOJFMTL-BYDSVVRCSA-N 232.323 3.241 30 1 BGEF biogenic,in-vitro C=C(C)[C@@H]1CC(=O)[C@H]2CC(=O)C[C@H](C)[C@@]2(C)C1 85725508 FFYAYKVAOOBUBP-FMVNMVDZSA-N 234.339 3.163 30 1 BGEF in-man CCCCCC[C@@]1(C)OC(O)=C(C)C1=O 101411085 SJIJVWSASMBZGY-GFCCVEGCSA-N 212.289 3.104 30 1 BGEF C=C1CC[C@@H]2C(C)=CC[C@H]3[C@H](C)C(=O)O[C@H]3[C@@H]12 238731370 PMRDZYZJDAVMNH-ZUWCUPBKSA-N 232.323 3.097 30 1 BGEF CC=CC#CC#CCCC(=O)CCCCC 2356667567 WUMWZQHJYMMOHK-UHFFFAOYSA-N 216.324 3.499 30 1 BGEF C/C1=C/[C@H](O)C/C(C)=C/CC(C)(C)/C=C\C1=O 169370455 NBVYFPSAUFQMAK-IBUUQPOUSA-N 234.339 3.185 30 1 BGEF CC[C@]12C=CC3=C(C)C(=O)CC[C@@H]3[C@H]1CC[C@H]2O 253632581 AMHRBYOHIWXPJX-XNISGKROSA-N 246.350 3.019 30 1 BGEF C=C(C)[C@@H]1CC[C@@]2(C)[C@H]3CC[C@](C)(O)[C@H]2[C@H]31 257404782 DGXZNOOUXAHVAE-LZXPERKUSA-N 220.356 3.386 30 1 BGEF endogenous,in-man C=C1CC[C@H](O)C[C@@H]1[C@]1(C)O[C@H]1CC=C(C)C 2356524034 NKCBUMYAPXFQEQ-AJNGGQMLSA-N 236.355 3.217 30 1 BGEF C=C1C(C)=CC(=O)[C@@H]2C(C)(C)C(=O)CC[C@@]12C 14449321 IHIHSGANYYVZAE-HIFRSBDPSA-N 232.323 3.083 30 1 BGEF biogenic CCCCCC#C[C@H]1NCCc2c(C)ccnc21 963075350 RTXQVKBGFMEFES-OAHLLOKOSA-N 242.366 3.161 30 1 BGEF CCC1=C([C@H](C)CC)[C@@H](O)[C@](C)(CC)C1=O 2356323117 IIWDJOXUWUASCX-OWYVNGRQSA-N 224.344 3.099 30 1 BGEF CC(C)=CC#CC(C)=CCC=C1COC(=O)C1 2356627033 TZXWZXDSJNUSON-UHFFFAOYSA-N 230.307 3.166 30 1 BGEF C=C1O[C@@H]2[C@H](CC[C@]3(C)[C@H](O)CC=C(C)[C@@H]23)[C@H]1C 2356737719 STIYXYABWPDGCS-JOSVURMMSA-N 248.366 3.278 30 1 BGEF C=C(CCC=C(C)CO)[C@@H]1CC[C@@](C)(O)[C@H]1C 2356557936 HGGIETPLSCSCRB-SOUVJXGZSA-N 238.371 3.059 30 1 BGEF CC1(C)CCCc2cc3c(cc21)C(=O)C=CC3=O 34605079 OQFGLBQQDUDRLO-UHFFFAOYSA-N 240.302 3.236 30 1 BGEF CCCCCC(=O)C#Cc1ccc(F)c(F)c1 1911579606 COWHFQYTAIARRG-UHFFFAOYSA-N 236.261 3.466 30 1 BGEF Cc1cccc(C)c1/C(=N/O)NC1CCCCC1 72184068 CWGRAQFGRDHSJR-UHFFFAOYSA-N 246.354 3.362 30 1 BGEF C/C1=C/CC[C@@]2(C)O[C@H]2CC(C)(C)/C=C/C1=O 100734133 UXYYOHOTPOQJPD-XVOUOLJOSA-N 234.339 3.426 30 1 BGEF endogenous,in-man C=C1CC[C@H](C(=O)O)[C@@H]2C=C(C)CC[C@H]12 2356451714 PFNVYYPGRXRVNO-GRYCIOLGSA-N 206.285 3.010 30 1 BGEF C=CC(C)=C[C@@H]1OC[C@@]2(C)CCC(=O)C(C)=C12 2356620341 NYCIXAIPHCQNDD-DZGCQCFKSA-N 232.323 3.203 30 1 BGEF C=CCC(=O)OCC=C(C)CCC1=NCCCC1 2356648589 IVAICSXGDIPJLL-UHFFFAOYSA-N 249.354 3.457 30 1 BGEF C=C1C[C@H](O)[C@@H]2[C@H]3[C@H](C(C)C)CC[C@]2(C)[C@@H]13 34544284 DATKFZMVDXINEI-GXYBRJDSSA-N 220.356 3.242 30 1 BGEF CCCCCCCC(=O)/C(C)=C(/C)C(=O)O 44118637 SGABONVIDWCVQJ-KHPPLWFESA-N 226.316 3.337 30 1 BGEF C=C[C@]1(C)CC[C@@H]2[C@H](C)C(=O)O[C@H]2[C@H]1C(=C)C 85664119 LMNJALUUIMXUQQ-KMCWBVRRSA-N 234.339 3.343 30 1 BGEF endogenous,in-man CC#CC#CC#C/C=C/C=C/CCCCCC=O 225160209 CBBSNXFBTMUDDB-BNFZFUHLSA-N 238.330 3.278 30 1 BGEF O=Cc1ccc(C#C/C=C\c2ccco2)s1 238789142 KPHSAOBSOKJLEL-RJRFIUFISA-N 228.272 3.219 30 1 BGEF CC(C)(C)C(=O)/C=C(\OB(F)F)C(C)(C)C 195517484 RDRZXKQQYJHJEF-CLFYSBASSA-N 232.079 3.472 30 1 BGEF C/C=C/C#CCC/C=C\C=C/C(=O)NCC(C)C 204973420 NFFPFDVUIWBNTI-QYSFTIFMSA-N 245.366 3.231 30 1 BGEF C=C1CCC2=C(C)C[C@H]3OC(=O)[C@H](C)[C@H]3C[C@@H]12 238751636 CPKGJHHSPZHSMP-YXCITZCRSA-N 232.323 3.241 30 1 BGEF C=C(C)[C@@H]1CC[C@@]2(C)CCC(=O)C(C)=C2[C@H]1O 2356703146 OACKHCQOHPYTKY-CQDKDKBSSA-N 234.339 3.019 30 1 BGEF C=C(C)[C@H]1CC[C@]2(C)CC[C@@H](O)[C@@]3(C)O[C@@]23C1 15206933 AXKKANUAFIGTQI-JARUQAPTSA-N 236.355 3.051 30 1 BGEF endogenous,in-man CC1=CC2=C(CC(C)(C)C2=O)[C@H](C)CC[C@@H]1O 96911614 XWJRORQTJORDHX-RNCFNFMXSA-N 234.339 3.019 30 1 BGEF C=C1CC[C@](C)([C@@H]2C[C@@H]3C(CO)=C[C@H]32)[C@H]1C 2356428637 RYPZBJYEIAAUNP-NBRWMIFNSA-N 218.340 3.163 30 1 BGEF C=C1C(=O)O[C@H]2C[C@]3(C)CCCC(=C)[C@@H]3C[C@@H]12 1514645 CVUANYCQTOGILD-ABHRYQDASA-N 232.323 3.241 30 1 BGEF C=C[C@@](C)(O)CC/C=C(\C)C/C=C/C(C)(C)O 33951527 WPGYCMWKXXCJMW-WXEXDPBMSA-N 238.371 3.367 30 1 BGEF C=CCC(=O)c1coc2cc([N+](=O)[O-])ccc12 587279599 NCSZTBKVBHZJKE-UHFFFAOYSA-N 231.207 3.100 30 1 BGEF C/C=C/C#Cc1cc(Cl)ccc1OC 587900759 UQKIMWHMPWHYRL-ONEGZZNKSA-N 206.672 3.276 30 1 BGEF C=CCC(C)(C)c1nc2ccccc2[nH]1 587954131 DZHKESFWXOVGRJ-UHFFFAOYSA-N 200.285 3.417 30 1 BGEF CC=CC#CC=C[C@@H](O)CCCCCC(C)=O 2356391184 LIDVFDPYWJJTLV-OAHLLOKOSA-N 234.339 3.023 30 1 BGEF C=C(C)[C@H]1CC[C@]2(C)CCC(=O)C(CO)=C2C1 2356406080 MGKBQWITEFFDAG-XHDPSFHLSA-N 234.339 3.021 30 1 BGEF C=C1C(=O)O[C@@H]2C3=C(C)C=CC3=C(C)CC[C@@H]12 15264768 GTSCJRHAZCEOEN-JSGCOSHPSA-N 228.291 3.081 30 1 BGEF biogenic,in-vitro C=C1CC[C@@H]2O[C@@H]3C[C@@](C)(CC(=O)[C@@H]3C)[C@]12C 35051337 SSHRPUYFLCGLMC-XFZHLKPQSA-N 234.339 3.115 30 1 BGEF C[C@@]1(/C=C2/C=CCCC2)SC(=O)C=C1O 40981253 CDWRCGZVUURDLQ-LAUAKBEESA-N 222.309 3.127 30 1 BGEF CCCC/C=C/[C@@]1(C)SC(=O)C=C1O 101122615 LQVQBLAUOXAXTI-XUIVZRPNSA-N 212.314 3.207 30 1 BGEF N#Cc1c(C(F)F)[nH]c2cccc(F)c12 587634344 VIUCBFPDNHUZSO-UHFFFAOYSA-N 210.158 3.116 30 1 BGEF C=C1CCC[C@]2(C)C[C@]3(O)OCC(C)=C3C[C@H]12 2356411639 VIBKDXLGWZVQRC-YUELXQCFSA-N 234.339 3.178 30 1 BGEF CC1=C2C[C@](O)(C(C)C)CC[C@H](C)[C@H]2CC1=O 2356791010 GHLQAKFVITUUSL-NVBFEUDRSA-N 236.355 3.099 30 1 BGEF CCCCC/C=C1\CC[C@@H](CN(C)C)C1=O 1631991 QUGSOUOTWFTUPI-RPHSKFLZSA-N 223.360 3.034 30 1 BGEF C=C(CCCO)[C@H]1CC(C)(C)[C@@H]1CCC(C)=O 14508574 MAIZBVUEICRYMG-ZIAGYGMSSA-N 238.371 3.347 30 1 BGEF biogenic C=C(C)[C@@H]1CC(=O)[C@@H]2CC(=O)C[C@@H](C)[C@]2(C)C1 15200818 FFYAYKVAOOBUBP-ZSEWYUTFSA-N 234.339 3.163 30 1 BGEF endogenous,in-man C[C@H]1CCCC2=CC(=O)[C@@]3(C[C@@]21C)OC3(C)C 95912843 STRDNIOHABKLGY-COLVAYQJSA-N 234.339 3.260 30 1 BGEF biogenic,in-vitro C=C1O[C@@H]2CC(=C)[C@@H]3CC[C@](C)(O)[C@H]3C[C@H]2C1=C 2356374950 KWWMYEJFOYMMQP-GVRJEKJASA-N 246.350 3.199 30 1 BGEF C=C(C)[C@H]1CC[C@@]2(C)CC[C@H](O)[C@]2(C(C)=O)C1 13430832 YALFFHSIVPCNLF-ZQDZILKHSA-N 236.355 3.099 30 1 BGEF in-man C/N=C\Nc1cc(Cl)ccc1Cl 29487734 BIVQUFIIBYKMNW-UHFFFAOYSA-N 203.072 3.063 30 1 BGEF CCCCCCCCSC[n+]1ccn(C)c1 95670355 OFDRDRQAVPVJJO-UHFFFAOYSA-N 241.424 3.364 30 1 BGEF N#Cc1ccc(Nc2n[nH]c3ccccc23)cc1 1857597394 TWJPTCYTEGYZON-UHFFFAOYSA-N 234.262 3.178 30 1 BGEF C=C1CC[C@H]2C(C)=CC[C@H]3[C@H](C)C(=O)O[C@@H]3[C@@H]12 34521708 PMRDZYZJDAVMNH-PEDHHIEDSA-N 232.323 3.097 30 1 BGEF C=C1C(=O)O[C@H]2[C@@H]1CC[C@]1(C)CCC=C(C)[C@H]21 238763087 UHODXTMZSDNATP-CXTNEJHOSA-N 232.323 3.241 30 1 BGEF C=CC(C)(C)c1nc2cc(Cl)ncc2[nH]1 587954058 ACRZSROXUZMWQN-UHFFFAOYSA-N 221.691 3.075 30 1 BGEF CC(=NO)c1cc(C(C)=NO)c2cccccc1-2 2356670117 AIUOUPSTDGMTBT-UHFFFAOYSA-N 242.278 3.188 30 1 BGEF CCc1cccc2c1C(=O)C(=O)C(C(C)C)=C2 13821907 HRZLZAJRQDMHLC-UHFFFAOYSA-N 228.291 3.054 30 1 BGEF C[C@H]1C[C@H](C)[C@@H](C#N)N(C)c2ccccc21 17249280 LBEAHYPHXKKJKU-COPLHBTASA-N 214.312 3.158 30 1 BGEF C=C1CC[C@@H]2[C@H]([C@@H]3C[C@H](C)C[C@H]13)[C@@]2(C)CN 2356374089 NDTNPKKWPZTXBH-NVHFRZMHSA-N 219.372 3.210 30 1 BGEF C=C[C@@](C)(O)CCC=C(C)C(=O)c1cc(C)co1 2356692835 MMJJWZIDBAJCJK-OAHLLOKOSA-N 248.322 3.434 30 1 BGEF C=C(CCC=C(C)C)[C@H]1CC(=O)C(C)=C[C@H]1O 14444419 OCULPYOOSGFLRB-UKRRQHHQSA-N 234.339 3.185 30 1 BGEF biogenic CC1=C/C(=N/Nc2nc3ccccc3[nH]2)CC1 33044162 PMBZEYGCQFJKBM-MHWRWJLKSA-N 226.283 3.071 30 1 BGEF C=C1C(=O)O[C@@H](C)C[C@@H]1C1CCCCC1 45253847 HQFXLTQKXYJLIY-CABZTGNLSA-N 208.301 3.075 30 1 BGEF C=C1O[C@@H]2C[C@]3(C)CCCC(=C)[C@]3(O)C[C@@H]2C1=C 2356484634 BRGBGTWCHCTWLY-LVQVYYBASA-N 246.350 3.343 30 1 BGEF C[P+](C)(CC(F)(F)F)c1ccccc1 73278192 RPSZCVNZSZMIJF-UHFFFAOYSA-N 221.182 3.151 30 1 BGEF CC[C@]12CCC3=C(C)C(=O)CC[C@@H]3[C@H]1CC[C@H]2O 253635505 ZGWSYIQVEGMGSR-XNISGKROSA-N 248.366 3.243 30 1 BGEF N#Cc1c(C2CCC2)[nH]c2c(C(=O)O)cccc12 587638062 KFZOQSSYOPWEBV-UHFFFAOYSA-N 240.262 3.005 30 1 BGEF C=C1CC[C@H]2[C@H](CO)C(C)(C)[C@H]3CC[C@@]12C3 14887685 BDRJJYPGRSKGEP-PWNZVWSESA-N 220.356 3.387 30 1 BGEF biogenic CC(=O)CC[C@H]1[C@@H]2CC(=C(C)C)C(=O)C[C@@]12C 100777002 HUZJLWLCLJEXEL-YDHLFZDLSA-N 234.339 3.307 30 1 BGEF endogenous,in-man C[C@@H]1CCC[C@@H]2CC(=O)C(C(C)(C)O)=C[C@@]12C 14450821 LYFRYUAWUBLCKH-HFAKWTLXSA-N 236.355 3.099 30 1 BGEF endogenous,in-man C=C(C(=O)O)[C@H]1CC[C@]2(C)CCC(C(C)=O)=C2C1 14619661 ZFAOSFXFIKLLJT-XHDPSFHLSA-N 248.322 3.113 30 1 BGEF biogenic C=C(CN(C)C)c1nc2ccc(Cl)c(C)c2[nH]1 587190913 PYUSIPQVZKCVFO-UHFFFAOYSA-N 249.745 3.100 30 1 BGEF N#Cc1cc(-c2ccccc2)c2cn[nH]c2c1 653845484 VVDKBODANWRILU-UHFFFAOYSA-N 219.247 3.102 30 1 BGEF C=C1CC[C@@H](O)C(C)(C)[C@@H]1CCC(C)=CCO 2356516592 CPESJRIILXBEOJ-ZIAGYGMSSA-N 238.371 3.059 30 1 BGEF CC(C)=CC(=O)/C=C(/C)c1ccc(C(=O)O)cc1 14619042 YDSABZMFSRCMEP-LUAWRHEFSA-N 244.290 3.323 30 1 BGEF biogenic,in-vitro N#C[C@H]1CCc2cc(-c3cccnc3)ccc2C1 40860899 RNYRVOLWCLUVFC-LBPRGKRZSA-N 234.302 3.377 30 1 BGEF CN1CCCCC/C1=N/c1cccc(F)c1 101968033 KXAIVDSGJCNHFY-SQFISAMPSA-N 220.291 3.362 30 1 BGEF CC(C)(C)c1[nH]c2cc(F)ccc2c1C#N 587635466 MEXGUNFGJGCWMH-UHFFFAOYSA-N 216.259 3.476 30 1 BGEF N#Cc1c(-c2ccccn2)[nH]c2cccc(F)c12 587636632 ABGPMKRZFKPABY-UHFFFAOYSA-N 237.237 3.241 30 1 BGEF CC1=CC(C)(C)C=CC(=O)[C@H](C)CCCC1=O 2356590423 NFDDZSDTJCSOCJ-LLVKDONJSA-N 234.339 3.473 30 1 BGEF CC(C)(O)[C@@H]1CC[C@]2(C)CCC[C@@]3(CO3)[C@H]2C1 2356605477 HWVOWADURBSEPQ-PAPYEOQZSA-N 238.371 3.133 30 1 BGEF CC1(C)C[C@H]2[C@@H]1CC[C@@]1(C)O[C@H]1CC[C@@]2(C)O 3978583 KGYCKUADVHYVLM-JQPXUNLUSA-N 238.371 3.131 30 3 BGEF in-vitro C=C[C@@](C)(O)C[C@@H](O)/C=C(\C)CCC=C(C)C 15213468 HOXSQOXCKUSHHO-XEZFYOOLSA-N 238.371 3.367 30 1 BGEF CC(C)(C[N+](C)(C)C)C(=O)/C=C/c1ccccc1 27438616 HFBBGKWFXFHFSX-VAWYXSNFSA-N 246.374 3.001 30 1 BGEF C=C1C(=O)O[C@@H]2C[C@@]3(C)CCC=C(C)[C@H]3C[C@H]12 34175681 PQRAHHQIYITFCT-RGCMKSIDSA-N 232.323 3.241 30 1 BGEF CCC1=C/C(=C\NC2CCCCC2)C(=O)S1 100517002 FRLRPMFFLKEGKG-MDZDMXLPSA-N 237.368 3.360 30 3 BGEF COc1ccc(Oc2ccccc2/C=N\O)cc1 87711574 VQIZBHKIVMCESZ-GDNBJRDFSA-N 243.262 3.296 30 1 BGEF C=C1C[C@@H](c2ccc3ccccc3c2)OC1=O 196359186 QPGCZCPQGYMVKP-AWEZNQCLSA-N 224.259 3.384 30 1 BGEF C=C(C)[C@H](O)CC[C@@](C)(O)[C@H]1CC=C(C)CC1 14859847 IKHCIHJARXBOEP-RRFJBIMHSA-N 238.371 3.201 30 1 BGEF biogenic C=C1C(=O)O[C@H]2[C@H]1CCC(C)=C1CCC(=C)[C@@H]12 32302857 BJYLDDWXWJTGPU-IHRRRGAJSA-N 230.307 3.161 30 1 BGEF C#CCOc1ccc2ccc(=S)oc2c1 141587668 QDQGOKLMXLFHFV-UHFFFAOYSA-N 216.261 3.174 30 1 BGEF CC#CC#CC#C/C=C\C=C/CCCCCC=O 225160129 CBBSNXFBTMUDDB-XESWYYRISA-N 238.330 3.278 30 1 BGEF CC/C=C\C(=O)c1coc2cc(C#N)ccc12 587278863 MZXPLJXDRMWPOR-ARJAWSKDSA-N 225.247 3.453 30 1 BGEF CC(C)=CC(=O)[C@@H]1[C@H](C)CC[C@@]1(O)c1ccoc1 13383599 MZISRFGDZVZINJ-BYCMXARLSA-N 248.322 3.049 30 1 BGEF biogenic C=C1Cc2occ(C)c2C(=O)C[C@H](C)C[C@H]2O[C@H]12 14971355 DHQZOOQNUWHCML-RPAKXZQJSA-N 246.306 3.067 30 1 BGEF biogenic C=C1[C@@H](O)O[C@@H]2/C=C(/C)CC/C=C(/C)CC[C@@H]12 238768026 XOQBPGQAAARDLU-MHPKDYPXSA-N 234.339 3.343 30 1 BGEF N#Cc1c([C@@H]2CCCOC2)[nH]c2cc(F)ccc12 587635339 KEQDQFPTOJRBIS-SECBINFHSA-N 244.269 3.073 30 1 BGEF CCO/C=C/C#Cc1cc(Cl)ccc1OC 587901156 YVAGNEPMDWVJTO-WEVVVXLNSA-N 236.698 3.250 30 1 BGEF C=C1C=C[C@H](C(C)C)CC(=O)[C@]2(CCC1)CO2 2356425985 VFPNKQAHPADWNP-ZFWWWQNUSA-N 234.339 3.283 30 1 BGEF C=C1CCC[C@@H]2C(=C)C(=O)O[C@]23[C@H](C)CC[C@H]13 2356454391 KQRRKYOJZSNEMG-OPQSFPLASA-N 232.323 3.241 30 1 BGEF CC1=CC(=O)[C@@H]([C@](C)(O)CC=CC(C)C)CC1 2356480777 PYNUQQKEADPDEB-DZGCQCFKSA-N 236.355 3.265 30 1 BGEF C=C1C(=O)O[C@@H]2C[C@]3(C)CCC(O)=C(C)[C@@H]3C[C@@H]12 2356784781 PZQLQSNITGNRMK-MEDZGJRSSA-N 248.322 3.126 30 1 BGEF C=C1CC[C@H]2[C@H](C)C(=O)O[C@@H]2[C@H]2C(=C)CC[C@@H]12 6066939 UJADCNYXDHHISU-PEDHHIEDSA-N 232.323 3.097 30 1 BGEF CC[C@@]12C=CC3=C(C)C(=O)CC[C@H]3[C@@H]1CC[C@@H]2O 29474418 AMHRBYOHIWXPJX-BFJAYTPKSA-N 246.350 3.019 30 1 BGEF C/C1=C\CC[C@@]2(C)O[C@H]2CC(C)(C)/C=C\C1=O 111354427 UXYYOHOTPOQJPD-CRJTUDOVSA-N 234.339 3.426 30 1 BGEF CC(C)=C1C(=O)CC[C@H](C)[C@H]2CC(=O)C(C)=C12 238788423 MDMAYZHYSHWNFI-GXSJLCMTSA-N 232.323 3.227 30 1 BGEF CCC(=O)C=CC=CC#Cc1cccs1 2356458516 ORPQKHRFJCPNBE-UHFFFAOYSA-N 216.305 3.191 30 1 BGEF C=C1CCC=C(C)CC(=O)C(=C(C)C)C[C@H]1O 2356498467 XAEWJBWSIZVXNK-CQSZACIVSA-N 234.339 3.329 30 1 BGEF CCCCCCCCC[C@@H](OC(C)=O)[C@H](C)N 2356574825 OKTFCWHLWHAORS-GXTWGEPZSA-N 243.391 3.406 30 1 BGEF CC1=CC(=O)[C@H](C)[C@]1(C)[C@H]1CC(C)(C)CC1=O 2356600603 QXVKQZFXJUOIBM-ZIBATOQPSA-N 234.339 3.163 30 1 BGEF CCCC/C=C1\CC[C@](C)(CN(C)C)C1=O 1625822 DYXQPHYXWDVRGH-CEFACKQISA-N 223.360 3.034 30 1 BGEF C/C=C/C#CC#C/C=C\C=C\C=C\[C@H](O)CCC 238738902 XBPLQOPYICQPRZ-OJGXBEDVSA-N 240.346 3.399 30 1 BGEF CCCCOC[C@]1(c2ccc(C)cc2C)CO1 2356619702 QSBPKEIAKIHAOB-OAHLLOKOSA-N 234.339 3.346 30 1 BGEF C=C[C@@H]1CC[C@]2(C)C=CC(=O)[C@H](C)[C@@H]2C1 2356630250 HXGVTBIULNLCHU-NRWUCQMLSA-N 204.313 3.370 30 1 BGEF CCOc1ccc(N/C=C2\C=CC=CC2=O)cc1 104027403 GBCAQXZMXRAWPT-VAWYXSNFSA-N 241.290 3.076 30 3 BGEF CC(=O)/C=C/n1c(=S)oc2ccccc21 4750641 POWBUUIZUJLPHW-VOTSOKGWSA-N 219.265 3.023 30 3 BGEF C=C(C)[C@@]1(O)C[C@@]2(C)C(=CC1=O)CCC[C@@H]2C 95912845 FGQOEJHZXHQVOW-GLQYFDAESA-N 234.339 3.019 30 1 BGEF biogenic,in-vitro CCC1=C2CC[C@]3(C)[C@H](O)CC[C@@H]3[C@H]2CCC1=O 253632921 DOTDLCMVUVGSDP-XNISGKROSA-N 248.366 3.243 30 1 BGEF C[C@@H]1CC=CC2=C(O)C(=O)[C@@H]3[C@H](C3(C)C)[C@@]21C 2356325037 VRXRXQBGHXYMBN-YWGZHDIYSA-N 232.323 3.256 30 1 BGEF C=C1C=C[C@H]2C(=C)C(=O)O[C@@H]2CC(C)=CCC1 2356635277 YJLBOFKJSVUOID-UONOGXRCSA-N 230.307 3.327 30 1 BGEF CC1=CC[C@@](C)([C@@]2(C)CC(=O)C=C2CO)CC1 14511068 FBSYQYBRVWGYEB-CABCVRRESA-N 234.339 3.021 30 1 BGEF biogenic CC(=O)/C=C(C)/N=N/c1c(O)[nH]c2ccccc12 101498386 SGZNUUIZEVEUKK-FUOROIJXSA-N 243.266 3.450 30 1 BGEF C=C/C=C\C#Cc1cc(Cl)ccc1OC 587900387 OTMWOHVHNMWLRS-PLNGDYQASA-N 218.683 3.442 30 1 BGEF CC1(C)O[C@]2(C)CCC=C3C(=O)C=C[C@@H]1[C@@]32C 15169699 YYXXGJKFOHXSML-NWANDNLSSA-N 232.323 3.036 30 1 BGEF biogenic C=C(C)[C@]1(O)CC[C@]2(C)[C@@H]3CC[C@H](C)[C@@H]3[C@@H]12 2356420193 RGLMWRGFUDRTOD-XWSJDDSLSA-N 220.356 3.386 30 1 BGEF C=C1CCC[C@]2(C)CC[C@](O)(C(C)(C)O)C[C@H]12 2356686270 YTDHRNHFSMXJLO-BPLDGKMQSA-N 238.371 3.035 30 1 BGEF C[C@H]1C[C@@H](C)c2ccccc2N(C)[C@H]1C#N 5550881 LBEAHYPHXKKJKU-SUNKGSAMSA-N 214.312 3.158 30 1 BGEF CCCS/C(=N/c1ccc(C)cc1)NC 28342532 UWYQCBRUZXZLJZ-UHFFFAOYSA-N 222.357 3.345 30 1 BGEF C=C[C@H]1C[C@H](C=C)OP(=O)(OCC(=C)C)O1 72136788 FTMYAPUNKLVZBB-QWRGUYRKSA-N 244.227 3.233 30 1 BGEF CCCCCCCCCCCC(=O)CO 138342099 QTJBCXUJIXQYNP-UHFFFAOYSA-N 214.349 3.469 30 1 BGEF C#Cc1cccc(-c2nc3ccccc3[nH]2)c1 143274122 SAWCZBGZEDMXOI-UHFFFAOYSA-N 218.259 3.211 30 1 BGEF N#Cc1ccc(N2CCC[C@@H]2C#N)c2ccccc12 164577604 ZSRZWOCLRCXTHZ-CYBMUJFWSA-N 247.301 3.204 30 1 BGEF C=CCCCC=CC=CC#CC#CC#CC 2356568006 DAXAIPLUUQVVDQ-UHFFFAOYSA-N 208.304 3.485 30 1 BGEF CCCC#CC#CC=CC=C[C@@H]1CC[C@@H](OC)O1 2356600435 LWKMRSGECVFHLH-CVEARBPZSA-N 244.334 3.057 30 1 BGEF CCCCCCCC=CC=C[C@@H](O)[C@H](C)N 2356809398 AQNTYHYSJAGMGF-UONOGXRCSA-N 225.376 3.167 30 1 BGEF C=C[C@](C)(O)CC[C@@H]1C(=C)C(=O)C=CC1(C)C 14491147 ZDSWZDUWGQSTNA-DOMZBBRYSA-N 234.339 3.041 30 1 BGEF biogenic C=CCN1c2cnccc2Sc2cccnc21 1857759183 TZPZORYTDHHOHK-UHFFFAOYSA-N 241.319 3.265 30 1 BGEF C#CC#CC[C@@H]1O[C@@H]1CCCCCCC 85722172 CRSUKNCTBDUAQP-UONOGXRCSA-N 204.313 3.141 30 1 BGEF endogenous,in-man C/C=C(/C)C(=O)c1coc2cc(C#N)ccc12 587279350 RZVSNWIOCNPNIK-OQFOIZHKSA-N 225.247 3.453 30 1 BGEF CC1=C2CC[C@]3(C)[C@@H](C[C@H](C)[C@H]3O)[C@@H]2CCC1=O 29482700 MQUWOZCDCNPFTM-XAMOSUDMSA-N 248.366 3.099 30 1 BGEF CC1=CC(=O)[C@@H]2[C@@H]3[C@H](C(C)C)CC[C@@]2(C)[C@H]13 100089725 CTFSUCDHRVDRKG-NBRWMIFNSA-N 218.340 3.450 30 1 BGEF in-vitro C/C=C(/C)C(=O)OCCCC#CC#CCCC 215783684 LCOLQAYBODEXLX-RZNTYIFUSA-N 232.323 3.083 30 1 BGEF CC1(C)C=CC(=O)CC[C@@H]2O[C@@]2(C)CCC1 2356528019 RUDQCXIBOPSRCQ-JSGCOSHPSA-N 222.328 3.260 30 1 BGEF O=C1CCCc2ncc(C#Cc3ccccc3)cc21 96274162 FZANBVBQQNZHBU-UHFFFAOYSA-N 247.297 3.000 30 1 BGEF C#CCN1CCC(/C=C/c2ccc(F)cc2)CC1 1857573440 IMLUTNFPMZSEGM-ONEGZZNKSA-N 243.325 3.184 30 1 BGEF CC(=O)CC[C@@H]1[C@@H]2CC(=O)C(=C(C)C)C[C@]21C 2356512274 XBAWTHOTVUOCMB-IPYPFGDCSA-N 234.339 3.307 30 1 BGEF C[C@H]1Cc2cc(Cl)ccc2N2C=CC(=O)C[C@H]12 13813823 OBDCSTNDGGOQNF-LKFCYVNXSA-N 247.725 3.194 30 1 BGEF C#CC[C@@](O)(c1ccccc1)C1CCCCC1 2356651094 BMGIWLRHVACTEJ-MRXNPFEDSA-N 228.335 3.478 30 1 BGEF CC1(C)CC(=O)C=C(c2ccc3c(c2)OCO3)C1 15973886 XOAWHPBPZLRGNU-UHFFFAOYSA-N 244.290 3.188 30 3 BGEF N#Cc1cccc(/C=C/SC2=NCCS2)c1 49582951 YXMFNQSXFNENRY-GQCTYLIASA-N 246.360 3.365 30 1 BGEF C=C(C)[C@@H]1CC[C@@]2(C)[C@@H]3CC[C@@](C)(O)[C@@H]2[C@@H]13 100782067 DGXZNOOUXAHVAE-ZLCQRPCESA-N 220.356 3.386 30 1 BGEF endogenous,in-man CC(C)=C1C(=O)CC[C@@H](C)[C@H]2CC(=O)C(C)=C12 2356422339 MDMAYZHYSHWNFI-MWLCHTKSSA-N 232.323 3.227 30 1 BGEF CC(C)(O)[C@@H]1CC[C@]2(C)CCC[C@@]3(CO3)[C@@H]2C1 2356605478 HWVOWADURBSEPQ-RJZRQDKASA-N 238.371 3.133 30 1 BGEF C=C1[C@H]2CC[C@@H](C(=O)O)[C@@]23CC[C@H](C3)C1(C)C 205380671 IJGMVUXEZUEDJR-MCYUEQNJSA-N 234.339 3.480 30 1 BGEF CC=CC=CC(=O)c1c(O)c(C)cc(C)c1O 2356436564 QKVDPCKPCVREGL-UHFFFAOYSA-N 232.279 3.030 30 1 BGEF CCC/C=C/[C@]1(C)SC(=O)C(C)=C1O 101121315 YKLMOTXBCCKOHO-MLRMMBSGSA-N 212.314 3.207 30 1 BGEF CC#Cc1nc2cc(C(F)(F)F)c(F)cc2[nH]1 587953517 MQHLSYKVUOCKAQ-UHFFFAOYSA-N 242.175 3.092 30 1 BGEF C=C1CC[C@H](O)C[C@@H]1[C@@]1(C)O[C@H]1CC=C(C)C 2356524037 NKCBUMYAPXFQEQ-ZQDZILKHSA-N 236.355 3.217 30 1 BGEF C=C1CC[C@H]2[C@@H]([C@H]3[C@H]1CC[C@@]3(C)O)C2(C)C 33833777 FRMCCTDTYSRUBE-DKBOKBLXSA-N 220.356 3.386 30 1 BGEF C=C1CCC[C@]2(C)C[C@@H]3OC(=O)[C@H](C)[C@H]3C[C@@H]12 257735700 YYJRTJYCOMIDIC-DGMCESFYSA-N 234.339 3.321 30 1 BGEF endogenous,in-man CCc1[nH]c2ccc(F)c(Cl)c2c1C#N 587630025 DNQVJAKHYWQMFV-UHFFFAOYSA-N 222.650 3.394 30 1 BGEF CC(=O)C=CC1=C(C)[C@@H]2CC[C@H](C)[C@@H]2[C@H](C)O1 2356619077 SRSZWWZBWAHJNN-SUDQYYNISA-N 234.339 3.487 30 1 BGEF O=C1CCC/C1=C\c1ccc(Cl)cc1 34599940 WUMOJUUCPXEEQL-CSKARUKUSA-N 206.672 3.476 30 1 BGEF in-vivo CCO/N=C/CC(=O)c1ccc(C(C)C)cc1 101641275 UMLHPFJRWFTWMO-XNTDXEJSSA-N 233.311 3.405 30 1 BGEF CCCCCCC[C@@H](C)c1nc(O)cc(O)n1 653825394 KLNCUXZZIJROQZ-SNVBAGLBSA-N 238.331 3.352 30 1 BGEF CC1=CCC[C@]2(C)O[C@@H]2[C@H](O)[C@@H](C(C)C)CC1 2356763471 KLQPHHIQARFSDE-TUVASFSCSA-N 238.371 3.297 30 1 BGEF C=C1[C@H]2CC=C3C(=O)OC[C@@H]3[C@]2(C)CC[C@H]1C 13406047 CQWUYORFTUWURA-BXKLLYQPSA-N 232.323 3.098 30 1 BGEF biogenic CC1=CC[C@@](C)([C@]2(C)CC(=O)C=C2CO)CC1 14511074 FBSYQYBRVWGYEB-HUUCEWRRSA-N 234.339 3.021 30 1 BGEF biogenic CC1(C)/C=C/C[C@@]2(C)O[C@@H]2CC[C@]2(C)O[C@H]2C1 136829991 UFBUQKAQYQDEOE-SJFFUCJWSA-N 236.355 3.458 30 1 BGEF CC(C)Cc1ccc([C@H]2CC(O)=CC2=O)cc1 1857762024 VQXKTFLBQBUJQB-CQSZACIVSA-N 230.307 3.383 30 1 BGEF C(#Cc1cccs1)C=Cc1ccco1 2356379747 HAKDYPJVGUKNJQ-UHFFFAOYSA-N 200.262 3.406 30 1 BGEF C=C1O[C@@H]2C[C@]3(C)CCCC(=C)[C@]3(O)C[C@H]2C1=C 2356484636 BRGBGTWCHCTWLY-XUWVNRHRSA-N 246.350 3.343 30 1 BGEF C#Cc1ccc(-n2nc3ccccc3c2OC)cc1 206038794 HOEMCWGOUJVCLU-UHFFFAOYSA-N 248.285 3.015 30 3 BGEF O=C(/C=C/c1ccncc1)c1c[nH]c2ccccc12 53297375 BYQXOJUQFCXVBQ-AATRIKPKSA-N 248.285 3.459 30 1 BGEF C=CCOc1ccccc1OCCCC 103211786 HUCZFDNIMZAWIN-UHFFFAOYSA-N 206.285 3.430 30 1 BGEF C/C=C/C#CC#C/C=C\C=C/CCCCC=O 221253813 NDAPUMLRLFELHL-LAFHTPKLSA-N 226.319 3.441 30 1 BGEF C=C(C=C[C@@H](CC[C@H](C)O)C(C)C)CCCO 2356466498 ILTLDBNFZKICNW-GJZGRUSLSA-N 240.387 3.305 30 1 BGEF C=C[C@@](C)(O)CC=C[C@](C)(O)CCC=C(C)C 2356558303 TZTZMOXGXUZNPW-HUUCEWRRSA-N 238.371 3.367 30 1 BGEF C=CCOC(OCC=C)/C(Br)=C/C 5831944 HGZGFEKGYWBLPB-TWGQIWQCSA-N 247.132 3.016 30 1 BGEF C[C@H]1CCCC2=CC(=O)C(C(C)(C)O)=C[C@@]21C 14450489 WXPKUEOZWGDJJE-ZUZCIYMTSA-N 234.339 3.019 30 1 BGEF biogenic COc1ccc2c(c1)C1=C(CC2)C(=O)CCC1 238731957 BSWDIIAVBZWMBG-UHFFFAOYSA-N 228.291 3.148 30 1 BGEF C=C(C)[C@@H]1CC[C@]2(C)CC[C@H](O)[C@@]3(C)O[C@]23C1 257382047 AXKKANUAFIGTQI-XLWJZTARSA-N 236.355 3.051 30 1 BGEF endogenous,in-man C=C(C)[C@@H]1CC[C@H]2C(=O)O[C@H]3C[C@@H](C)[C@H](C1)[C@@H]32 70454370 RDYUBCVSUYWYDA-TVQXOTEMSA-N 234.339 3.176 30 1 BGEF biogenic,in-vitro C=C1CC[C@@H](C(=O)O)[C@@H]2C=C(C)CC[C@@H]12 238768560 PFNVYYPGRXRVNO-QJPTWQEYSA-N 206.285 3.010 30 1 BGEF C=C[C@@H]1C[C@H](C=C)O[P@@](=O)(OCC(=C)C)O1 254044396 FTMYAPUNKLVZBB-CDMJZVDBSA-N 244.227 3.233 30 1 BGEF N#Cc1cccc2nc3cccc(Cl)c3nc12 1857750148 VUZURDXXLMWGON-UHFFFAOYSA-N 239.665 3.308 30 1 BGEF C=C1C(=O)O[C@H]2C3=C(C)CCC[C@@]3(C)CC[C@H]12 5766707 PJPHIAMRKUNVSU-KYOSRNDESA-N 232.323 3.385 30 1 BGEF C=C[C@@](C)(O)CC[C@@H]1C(C)(C)[C@@H]2CC[C@@]1(C)O2 14593880 ISRFSZGYYMTFME-AYRXBEOTSA-N 238.371 3.297 30 1 BGEF CC(C)C1=CC2=C(C(=O)C[C@@]2(C)O)[C@H](C)CC1 2356794353 LCQMNDUQIYLJLG-MEBBXXQBSA-N 234.339 3.019 30 1 BGEF CC1=CC[C@@]2(CC1=O)[C@H](C(C)C)C(=O)C[C@H]2C 14413216 SXHQJMKFQDMBIW-DFBGVHRSSA-N 234.339 3.163 30 1 BGEF endogenous,in-man C=CCN1CC[C@H]2C[C@@H](C1)c1ccccc12 39221694 VUJAFSKGQJDINL-STQMWFEESA-N 213.324 3.149 30 1 BGEF C=C(C)[C@H]1CC[C@@]2(C1)[C@H]1CO[C@@]2(C)CC(=O)C1 104371909 YHIWYGHFGRMQMO-MYZSUADSSA-N 234.339 3.117 30 1 BGEF endogenous,in-man C=C1CC[C@H]2[C@@H]([C@H]3[C@@H](C)CC[C@@]13O)C2(C)C 238766639 VGLUETSWKCADML-OHJULZJPSA-N 220.356 3.386 30 1 BGEF CC(C)[C@H]1CC[C@H](C)C/C1=N\CCCC(=O)O 103195628 PJBPJVMCCWFJOT-ZZDFFKCPSA-N 239.359 3.384 30 1 BGEF CC[C@@H]1C[C@@H]2[C@@H]3CCC(=O)C=C3CC[C@@]2(C)[C@@H]1O 29480948 ABTDALAHKLLQIZ-XZINFULNSA-N 248.366 3.099 30 1 BGEF Cc1ccc(C#Cc2ccc3c(c2)OCO3)cc1 1857750206 MEQZSPOLDGKUCB-UHFFFAOYSA-N 236.270 3.124 30 1 BGEF CC1=CCC(C)(C)C=CC(=O)[C@H](CO)CCC1 1857760588 GKYUKEFDKVIFTA-ZDUSSCGKSA-N 236.355 3.267 30 1 BGEF C=C1CC[C@H](O)C(C)(C)[C@@H]1CCC(C)=CCO 2356516590 CPESJRIILXBEOJ-KGLIPLIRSA-N 238.371 3.059 30 1 BGEF CO/N=C/CC(=O)c1ccc(C(C)C)cc1 102230141 NHEMJCQWOUDVNM-NTEUORMPSA-N 219.284 3.015 30 1 BGEF Cc1ccccc1N/C=C\C(=O)c1ccccn1 1911571106 NATFIKVCZRPDQG-LUAWRHEFSA-N 238.290 3.199 30 1 BGEF C=C(C)[C@H]1CC[C@@]2(C)C=CC(=O)C=C2C1 2356367654 HCGLSNXCQRJVMY-FZMZJTMJSA-N 202.297 3.434 30 1 BGEF CC1=CC[C@H](C(C)=CC(=O)CC(C)C)CC1=O 2356554126 KXTCYNARSLCXMW-ZDUSSCGKSA-N 234.339 3.473 30 1 BGEF C=C1CCC2=C(C)C(=O)O[C@H]2[C@@H]2C(C)=CC[C@H]12 15264903 WAQFXLYLGJEYAW-MRVWCRGKSA-N 230.307 3.161 30 1 BGEF CC(C)=C[C@H](O)C[C@@H](C)[C@@H]1CCC(C)=CC1=O 238768587 IHIGGYYRDGHFEA-RDBSUJKOSA-N 236.355 3.265 30 1 BGEF CC1=CCC2=C(CC(C)=CCC1)C(=O)C=CC2=O 253650680 IYBUBJTWRYPRSI-UHFFFAOYSA-N 242.318 3.458 30 1 BGEF CC[C@H](C)/N=C\Nc1ccc(-c2c[nH]cn2)cc1 13822061 SKJJLZMUIPRNCX-NSHDSACASA-N 242.326 3.315 30 1 BGEF C=C1CC[C@@H](C(C)C)/C=C\[C@@](C)(O)CC[C@@H]1O 169292567 NSIOXFVMCTYIOU-AYXINGSMSA-N 238.371 3.057 30 1 BGEF C=C[C@]1(C)Cc2occc2C(=O)[C@H]1C(=C)C 238753057 VWMGCBJDKSYUER-TZMCWYRMSA-N 216.280 3.403 30 1 BGEF CC[C@@H]1C[C@@H]2[C@@H]3CCC(=O)C=C3CC[C@]2(C)[C@H]1O 253696867 ABTDALAHKLLQIZ-VWOPQJGGSA-N 248.366 3.099 30 1 BGEF C/C=C\C(=O)c1coc2cc(C#N)ccc12 587279508 WZSDQGAGDQWOLN-IHWYPQMZSA-N 211.220 3.063 30 1 BGEF C=C(CC/C=C(/C)CO)[C@@H]1CC[C@@](C)(O)[C@H]1C 6066846 HGGIETPLSCSCRB-OSHBOQLOSA-N 238.371 3.059 30 1 BGEF C=CC[C@@H]1C[C@]2(CC=C(C)C)OCOC2=CC1=O 14515858 VNXQWRUUEVHDHT-DOMZBBRYSA-N 248.322 3.135 30 1 BGEF biogenic CC(C)(C)/[N+]([O-])=C/c1cccc(C(F)(F)F)c1 59290348 OMZZKSPKGZRPLJ-PXNMLYILSA-N 245.244 3.433 30 1 BGEF C=CC(C)=C[C@@]1(CC)SC(O)=C(C)C1=O 2356703945 BOMAALMZZQMZOS-GFCCVEGCSA-N 224.325 3.373 30 1 BGEF C=C(C)[C@H]1CC(=O)[C@@H]2CC(=O)C[C@@H](C)[C@]2(C)C1 100778780 FFYAYKVAOOBUBP-MPXAEWJHSA-N 234.339 3.163 30 1 BGEF endogenous,in-man O=[N+]([O-])c1cccc(/C=N/c2cccc(F)c2)c1 103219528 WCTUIBGVHFHCJP-OQLLNIDSSA-N 244.225 3.485 30 1 BGEF C=C1CC[C@H]2C[C@H]3[C@@H]1CC[C@@]31C[C@]21CC(=O)OC 2356444224 OVHHBPJWMKEJNA-XNHWPECASA-N 246.350 3.322 30 1 BGEF C[C@@H]1CC=CC2=CC(=O)[C@@H]3[C@H](C3(C)C)[C@@]21C 2356561605 BVLHCTFFMIUHGN-QGMIFYJMSA-N 216.324 3.370 30 1 BGEF C=C1CCC(=O)[C@]2(C)CC[C@@H](C(C)C)C[C@]12O 2356688564 FBFPIPZUUNYSEA-SNPRPXQTSA-N 236.355 3.099 30 1 BGEF C/C1=C/CC/C(CO)=C/CC(C)(C)/C=C\C1=O 215221595 IZKAIJSKFKIFNZ-NNKOHVQDSA-N 234.339 3.187 30 1 BGEF CC(=CNC(C)(C)C)C(=O)c1ccccc1 2356307933 FJSQJLMGLOBWTF-UHFFFAOYSA-N 217.312 3.161 30 1 BGEF CC1=C2CCc3cc(Cl)ccc3N2CCC1=O 22621 DWGUKGCMIQALCV-UHFFFAOYSA-N 247.725 3.339 30 1 BGEF CC(C)C1=CC2=C(C(=O)C[C@H]2C)[C@](C)(O)CC1 14454040 FTRAYGSWEQETHN-MEBBXXQBSA-N 234.339 3.019 30 1 BGEF biogenic,in-vitro C=C1C(=O)O[C@H]2C3=C(C)CC[C@@H]3[C@H](C)CC[C@@H]12 238754546 JYYNSFOOPDMSTI-PKINLEFWSA-N 232.323 3.241 30 1 BGEF C=CC(C)=C[C@@]1(CC)SC(=O)C(C)=C1O 2356760399 HBYOKPONWLKKRI-GFCCVEGCSA-N 224.325 3.373 30 1 BGEF C/C(=C\C(=O)CC(C)C)c1ccc(C(=O)O)cc1 14619039 JKZKSWRVCVQDQC-PKNBQFBNSA-N 246.306 3.403 30 1 BGEF biogenic,in-vitro C=C1C[C@H]1CCOC(=O)c1ccc(OCC)cc1 26580364 RIFHJYRWFSZKDD-CYBMUJFWSA-N 246.306 3.208 30 1 BGEF C/C(=C\C(=O)N(C)O)c1ccc2ccccc2c1 27653916 FUOZIQVWFBVCDY-PKNBQFBNSA-N 241.290 3.091 30 1 BGEF C=C1CC[C@H](C(C)(C)O)/C=C\[C@@H](C)CCC1=O 169368892 RJCCYTWCDOEWGM-AXIGGGFBSA-N 236.355 3.265 30 1 BGEF C/C=C/C#CC#C/C=C\[C@H](O)CCCCC 263638788 XAXGSDODPMRMAE-YYPZEZNRSA-N 216.324 3.067 30 1 BGEF Cc1ccc2c(c1)O[C@]1(C=O)[C@@H](C)CC[C@]21C 2356795202 IKVPMCNNGICLRF-NILFDRSVSA-N 230.307 3.013 30 1 BGEF CC[C@H](C(=O)N(C)O)c1ccc(CC(C)C)cc1 28092998 MDKGKIDXVPSWOO-AWEZNQCLSA-N 249.354 3.226 30 1 BGEF C=C(C)/C=C/Oc1ccc2ccc(=O)oc2c1 197095506 GTQCTQOLONOESF-BQYQJAHWSA-N 228.247 3.262 30 1 BGEF CC#CC[C@@H]1c2ccc(F)cc2C[C@@H]2CCCN21 963118966 XYQHLRUBFFJVOF-GOEBONIOSA-N 243.325 3.301 30 1 BGEF C=C[C@@](C)(O)CCC=C(C)CCC=C(C)CO 2356436748 YXIFOKDKHGSQOB-OAHLLOKOSA-N 238.371 3.369 30 1 BGEF CC1=CC[C@@H]2[C@H](CC2(C)C)[C@](C)(O)CCC1=O 2356805810 ZXYYADHSLPAWGV-TYNCELHUSA-N 236.355 3.099 30 1 BGEF CC1=CC(=O)[C@H]2[C@H]3[C@@H](C(C)C)CC[C@@]2(C)[C@H]13 104371018 CTFSUCDHRVDRKG-HUGQBSPZSA-N 218.340 3.450 30 1 BGEF in-man C=C(C)[C@@H]1CC[C@@]2(C1)[C@H]1CO[C@]2(C)CC(=O)C1 238733394 YHIWYGHFGRMQMO-QHSBEEBCSA-N 234.339 3.117 30 1 BGEF C=C1C(=O)OC2=C[C@]3(C)C=CCC(=C)[C@@H]3C[C@@H]12 2356486402 QROHVWWVBYRBDE-HUBLWGQQSA-N 228.291 3.142 30 1 BGEF O=C1C2=C(CCCC2)C2=NCCc3cccc1c32 33796422 WRRNJSLYKHXEAM-UHFFFAOYSA-N 237.302 3.099 30 1 BGEF CC1=C(O)[C@@](C)(CCc2ccccc2)SC1=O 101034047 YNZGQXKLXRBUAO-CQSZACIVSA-N 248.347 3.483 30 1 BGEF C=CCc1cccc(OCC)c1OCC 103282826 RQSIKUKAIKLGQP-UHFFFAOYSA-N 206.285 3.213 30 1 BGEF CC(C)(O)[C@@H]1CC[C@]2(C)CCC[C@]3(CO3)[C@H]2C1 2356605476 HWVOWADURBSEPQ-DHMWGJHJSA-N 238.371 3.133 30 1 BGEF CC[C@@]1(C)C[C@@H]1c1nc2ccc(C#N)cc2[nH]1 586888330 IOQSMWINJFSYEQ-YGRLFVJLSA-N 225.295 3.338 30 1 BGEF C=CCC(C)(C)c1nc2cccc(C(=O)O)c2[nH]1 587954553 ZTBDZSXNYHYAKP-UHFFFAOYSA-N 244.294 3.115 30 1 BGEF N#Cc1ccc(/C=C/c2ccccn2)cc1 114437095 XMCREAQDIRQRRW-CMDGGOBGSA-N 206.248 3.124 30 1 BGEF CC1=CCC(C)(C)C=CC(=O)[C@@H](CO)CCC1 1857762279 GKYUKEFDKVIFTA-CYBMUJFWSA-N 236.355 3.267 30 1 BGEF C=C1C[C@H](O)C=C(C)CC[C@H](C(C)C)[C@H](O)C1 2356335580 AQEMBMAEIOQGCX-RBSFLKMASA-N 238.371 3.057 30 1 BGEF C=CC[C@@H](C)C[C@@H](CCC=CC)S(=O)(=O)O 2356802318 SCDIHKDXYSMCRF-VXGBXAGGSA-N 246.372 3.201 30 1 BGEF C=C[C@]1(C)CC[C@@H]2[C@H](C)C(=O)O[C@H]2[C@@H]1C(=C)C 15150040 LMNJALUUIMXUQQ-GGAZOKNXSA-N 234.339 3.343 30 1 BGEF endogenous,in-man N#C[C@@H]1CCC[C@@H]2SC(F)(F)C(F)(F)[C@H]21 17250140 YGWLUAYAMMOYSR-ACZMJKKPSA-N 239.237 3.270 30 1 BGEF C/C=C\C#Cc1cc(Cl)ccc1OC 587900654 UQKIMWHMPWHYRL-ARJAWSKDSA-N 206.672 3.276 30 1 BGEF C=C[C@@H]1CCC(=C)[C@@H]2CCC(C(=O)OC)=C[C@H]12 2356478540 HYMOLJMMZNNOBO-KWCYVHTRSA-N 232.323 3.264 30 1 BGEF Cc1ccc(C=C2C(=O)c3ccncc3[C@H]2C)o1 2356541518 FMELDHMCOAMSPH-JTQLQIEISA-N 239.274 3.366 30 1 BGEF CC(C)=CC(=O)C[C@H](C)[C@H]1C=C[C@@](C)(O)CC1 230079647 OZDOAMOSJAOPRV-KCQAQPDRSA-N 236.355 3.265 30 1 BGEF endogenous,in-man C=C(C)[C@H]1CC[C@@]2(C)[C@H]3CC[C@@](C)(O)[C@H]2[C@@H]13 257404781 DGXZNOOUXAHVAE-HCDMYHGNSA-N 220.356 3.386 30 1 BGEF endogenous,in-man N#Cc1c(C2CCC2)[nH]c2cccc([N+](=O)[O-])c12 587647267 UAIVGUSFSYINSO-UHFFFAOYSA-N 241.250 3.215 30 1 BGEF CC1(C)C=CC[C@]2(C)O[C@@H]2CC[C@]2(C)O[C@H]2C1 2356415727 UFBUQKAQYQDEOE-DHMWGJHJSA-N 236.355 3.458 30 1 BGEF CC(=O)OCCC=CC=CC#Cc1cccs1 2356669779 MKWMFURFGUHGLT-UHFFFAOYSA-N 246.331 3.165 30 1 BGEF C=C1CC[C@@H]2[C@@H](C)C(=O)O[C@H]2[C@H]2C(=C)CC[C@@H]12 15264966 UJADCNYXDHHISU-XHJNMGKDSA-N 232.323 3.097 30 1 BGEF CCCS/C(=N/c1cccc(F)c1)NC 28128930 JPJXMJYVLUJEEN-UHFFFAOYSA-N 226.320 3.176 30 1 BGEF O=C(/C=C\Nc1ccccc1F)c1ccccn1 1911573754 JPTBTDDYLWYIDQ-NTMALXAHSA-N 242.253 3.029 30 1 BGEF CC(C=CC[C@]12CC(=O)O[C@H]1O2)=CC=CC(C)C 2356404937 BEGRCIAYFKRHRI-GJZGRUSLSA-N 248.322 3.133 30 1 BGEF C[C@@H]1CC[C@H](C(C)(C)O)C[C@]23O[C@]12CC[C@H]3C 2356786221 ZLTJNMGRSFNNFA-GGUBGCTKSA-N 238.371 3.131 30 1 BGEF CC[C@@]12C=CC3=C(C)C(=O)CC[C@@H]3[C@@H]1CC[C@@H]2O 29474410 AMHRBYOHIWXPJX-DARAHFNDSA-N 246.350 3.019 30 1 BGEF CC1=CC(=O)C(=C(C)C)C[C@]2(O)[C@H]1CC[C@H]2C 1857745079 KPUYMBIOSXIJCZ-OSAQELSMSA-N 234.339 3.019 30 1 BGEF C=C1CC[C@H](C(=O)O)[C@H]2C=C(C)CC[C@@H]12 2356451716 PFNVYYPGRXRVNO-SRVKXCTJSA-N 206.285 3.010 30 1 BGEF C=C1CCC[C@]2(C)C(=O)C=C(C(C)(C)O)C[C@@H]12 238752198 QDJLGPYYUWPGPQ-WFASDCNBSA-N 234.339 3.019 30 1 BGEF C/C=C/C(=O)C1=C(C)C(O)=CCC1(C)C 238788501 LXJIURZYUSYVNB-AATRIKPKSA-N 206.285 3.320 30 1 BGEF CC(C)=CC[C@H](O)[C@@H](C)[C@@H]1CCC(C)=CC1=O 2356664776 HYETZUGKRWIYSQ-IHRRRGAJSA-N 236.355 3.265 30 1 BGEF CC(C)CC#CC(=O)C=C(O)CC(C)C 2356700383 KVXQNMRFYGZVPU-UHFFFAOYSA-N 208.301 3.093 30 1 BGEF CCCC/N=C(\C)C1=C(O)CC(C)(C)CC1=O 5130694 UFQLCVJXOWHRAQ-XNTDXEJSSA-N 237.343 3.449 30 1 BGEF CC1=C2C(=O)[C@H](C(C)C)CC[C@]2(C)[C@H](O)CC1 85851611 SZNXJUGSSOHWJM-YWPYICTPSA-N 236.355 3.099 30 1 BGEF endogenous,in-man CC(C)=C1C[C@H]2[C@H](CC[C@@H](C)O)[C@]2(C)CC1=O 100776841 OQZCUYXRSFWCJU-HTUGSXCWSA-N 236.355 3.099 30 1 BGEF endogenous,in-man CCN(C=C1C(=O)[C@@]2(C)CC[C@H]1C2(C)C)CC 2356312733 IUPFRAHKPNPJPI-IUODEOHRSA-N 235.371 3.237 30 1 BGEF C=CC[C@@H]1C[C@@]2(CC=C(C)C)OCOC2=CC1=O 14515855 VNXQWRUUEVHDHT-IUODEOHRSA-N 248.322 3.135 30 1 BGEF biogenic C=CCN[C@@H]1CCc2cccc(O)c2[C@@H]1CC=C 27738193 AJDDPGPDUSAKBQ-ZIAGYGMSSA-N 243.350 3.142 30 1 BGEF CCCSC1=CC(=O)c2ccccc2C1=O 95586791 IBHBETRWHUPVOC-UHFFFAOYSA-N 232.304 3.093 30 1 BGEF C/C=C/C#CC#C/C=C/C=C\CCCOC(C)=O 199726456 BSPUEFFDQHCPTB-SQWQVMDKSA-N 242.318 3.025 30 1 BGEF C=C[C@@H]1C[C@H](C)C[C@@H](C)[C@H]1c1c(O)ccnc1O 2356456151 SWIJWROLKBJDFO-PRULPYPASA-N 247.338 3.445 30 1 BGEF CC1=CC(=O)[C@H]([C@@](C)(O)CC=CC(C)C)CC1 2356480778 PYNUQQKEADPDEB-HIFRSBDPSA-N 236.355 3.265 30 1 BGEF C=CCN(CC#CC(=C)C)Cc1ccccc1 203471579 PCVIKDULPQWYIP-UHFFFAOYSA-N 225.335 3.254 30 3 BGEF C=C[C@@]12CCCC[C@@H]1C/C(=C(/O)OC)C(=O)C2 103129612 LKKIRWFJCSZMQZ-IJYRHHOGSA-N 236.311 3.128 30 1 BGEF C/C=C/C#CC#C/C=C/[C@H](O)CCCCC 223454260 XAXGSDODPMRMAE-MGFOOGNRSA-N 216.324 3.067 30 1 BGEF C[C@@H]1C[C@@H]1c1[nH]c2cc([N+](=O)[O-])ccc2c1C#N 587647309 VJAVRNFJCWWKPK-XCBNKYQSSA-N 241.250 3.071 30 1 BGEF CN(C)CCC[C@@H](C#N)c1ccc(Cl)cc1 95872401 MMRNOCJQVZUBGW-LBPRGKRZSA-N 236.746 3.289 30 1 BGEF CCCCCCCc1c(O)ccc(O)c1CO 169352304 OBUAVYZMEDOAEY-UHFFFAOYSA-N 238.327 3.103 30 1 BGEF CCCCCCCc1oc(=O)c(C)c(O)c1C 2356324690 SYCHRZXDVPWNSO-UHFFFAOYSA-N 238.327 3.475 30 1 BGEF C=C(C)[C@@H]1CC[C@@H]2C(=O)O[C@@H]3C[C@H](C)[C@@H](C1)[C@@H]23 2356708483 RDYUBCVSUYWYDA-XADZXUCXSA-N 234.339 3.176 30 1 BGEF C=CC(C)=C[C@]1(CC)SC(=O)C(C)=C1O 2356760400 HBYOKPONWLKKRI-LBPRGKRZSA-N 224.325 3.373 30 1 BGEF CCCCCCCCCC=C[C@H](O)[C@@H](C)N 2356853591 RHSGKBXFWFDFGN-KGLIPLIRSA-N 227.392 3.391 30 1 BGEF CC1=CC[C@]2(CC1=O)[C@@H](C)CC(=O)[C@H]2C(C)C 14413223 SXHQJMKFQDMBIW-GLQYFDAESA-N 234.339 3.163 30 1 BGEF endogenous,in-man Cc1coc2c1C1=CC(=O)CC[C@H]1[C@@H](C)C2 14723399 QXNNHHMTTGDESS-KWQFWETISA-N 216.280 3.143 30 1 BGEF biogenic C#Cc1cccc(-c2nc3cccc(F)c3[nH]2)c1 586880976 QULUWNPCHSMIMA-UHFFFAOYSA-N 236.249 3.350 30 1 BGEF C=C[C@](C)(O)CCC[C@](C)(O)CC=CC(=C)C 2356700662 DKXVALLHXIQEOG-LSDHHAIUSA-N 238.371 3.367 30 1 BGEF CC1=C2C=C(C(C)(C)O)CC[C@H](C)[C@H]2CC1=O 15264601 GPHOOPDBTHHJLD-JOYOIKCWSA-N 234.339 3.019 30 1 BGEF biogenic C=C[C@H](/C=C(\C)COC(=O)CC)C(=C)C 14583971 UYACSVLHQPEITQ-JATZPVMKSA-N 208.301 3.264 30 1 BGEF endogenous,in-man C[C@H]1CC[C@@H](C(C)(C)O)C(=O)C2=C1CC[C@@H]2C 28642886 HZCYLHYZGNIVHG-JBLDHEPKSA-N 236.355 3.099 30 1 BGEF C/C=C\C#C/C=C/[C@H](O)CCCCCC(C)=O 137730999 LIDVFDPYWJJTLV-OEFMQNLYSA-N 234.339 3.023 30 1 BGEF C=CC[C@H]1C[C@@]2(CC=C(C)C)OCOC2=CC1=O 14515861 VNXQWRUUEVHDHT-SWLSCSKDSA-N 248.322 3.135 30 1 BGEF biogenic C[C@H](CC#N)n1nc2cc1Oc1ccc(F)cc1-2 587875983 XCZIRSDVGAQZFR-MRVPVSSYSA-N 243.241 3.270 30 1 BGEF C=C1CCC(=O)[C@]2(C)Cc3occ(C)c3C[C@H]12 15160011 AKNPMCISDQNRFC-IUODEOHRSA-N 230.307 3.228 30 1 BGEF endogenous,in-man Cc1ccc2nc(/N=C/c3ccco3)[nH]c2c1 71281807 BBPWSBOSDZQREA-RIYZIHGNSA-N 225.251 3.215 30 1 BGEF Oc1ccc(C#Cc2ccc3ccccc3n2)cc1 219119442 GXYUBFUTZAJZCQ-UHFFFAOYSA-N 245.281 3.340 30 1 BGEF C=C(C)[C@@H]1CC[C@]2(C)CO[C@@]3(C)C=CO[C@]32C1 2356665025 QZRSTGGOMXWMDX-KBXIAJHMSA-N 234.339 3.441 30 1 BGEF CCOc1ccccc1C=NN1CCCCCC1 263591439 NWDMYZDYCGOYAZ-UHFFFAOYSA-N 246.354 3.295 30 3 BGEF CCCCCC[C@]1(C)OC(O)=C(C)C1=O 101411088 SJIJVWSASMBZGY-LBPRGKRZSA-N 212.289 3.104 30 1 BGEF CC[C@H](C)CC(=O)Oc1ccc([C@H]2O[C@@H]2C)cc1 238732485 FFUFLYAPXFJSBF-RWSFTLGLSA-N 248.322 3.488 30 1 BGEF C/C=C/C#CC#C/C=C\C=C\C(=O)CCC 238740936 CZNUMTXEDJMMNG-DEOIMXOPSA-N 212.292 3.051 30 1 BGEF C=CC[C@]1(c2ccc(OC)cc2)C=CC(=O)CC1 1582960 MRRVEXMNPHRCNT-INIZCTEOSA-N 242.318 3.428 30 1 BGEF C=C1C(=O)O[C@H]2C[C@@]3(C)CCCC(C)=C3C[C@H]12 15207307 OTDVFDVEFZSECW-OSAQELSMSA-N 232.323 3.385 30 1 BGEF endogenous,in-man CCc1ccccc1/C(=N\O)NC1CCCCC1 72186204 YQCDLSIJNOVJSK-UHFFFAOYSA-N 246.354 3.307 30 1 BGEF Cc1ccnc(C#Cc2ccc3ccccc3n2)c1 95587601 KALVWEWAIUSWCD-UHFFFAOYSA-N 244.297 3.338 30 1 BGEF C=C1C(=O)C[C@H]2[C@@H]1CC/C(C)=C/CC[C@]1(C)O[C@@H]21 103565949 UIMHJAOZYISGTJ-IOIQWXQTSA-N 246.350 3.426 30 1 BGEF biogenic,in-vitro CC[C@@]1(C)C[C@H]1c1nc2ccc(C#N)cc2[nH]1 586888326 IOQSMWINJFSYEQ-HZMBPMFUSA-N 225.295 3.338 30 1 BGEF C=CCN(C)[C@H]1CCc2ccc(O)cc2C1(C)C 13583918 RHQPASUQIGVBMR-HNNXBMFYSA-N 245.366 3.102 30 1 BGEF Cc1cn2cccc2c(C#Cc2ccccc2)n1 29125825 BPHJTEHNELHYLJ-UHFFFAOYSA-N 232.286 3.043 30 1 BGEF OCC#Cc1c(-c2ccccc2)[nH]c2ccccc12 66263460 GTDPQRCSKVFWIE-UHFFFAOYSA-N 247.297 3.179 30 1 BGEF C=C1CC[C@H]2[C@H]([C@H]3[C@@H]1CC[C@@]3(C)O)C2(C)C 136910586 FRMCCTDTYSRUBE-WPLOAARJSA-N 220.356 3.386 30 1 BGEF C/C1=C\CC[C@@]2(C)O[C@H]2[C@H](O)[C@H](C(C)C)CC1 204970577 KLQPHHIQARFSDE-LUZWHFLASA-N 238.371 3.297 30 1 BGEF C=C1CC[C@H](O)[C@@H]2CC[C@@H](C(C)C)[C@H]2C1 2356635128 SLEMTBYSKIWKRJ-DGAVXFQQSA-N 208.345 3.386 30 1 BGEF CO/N=C\[C@@H](C)[C@H](OCc1ccccc1)C(C)C 7998390 XCHZXDWMILELBM-UQMVFRFSSA-N 249.354 3.496 30 1 BGEF O=C(O/N=C/c1ccc(F)cc1)c1ccccc1 34511330 DIEBAKUPBFEXAP-MHWRWJLKSA-N 243.237 3.017 30 1 BGEF in-vivo C/C=C\C#C/C=C/C(=O)CCCCCC(C)=O 35032245 QBIYEGKVJANQEH-CVTZKADISA-N 232.323 3.231 30 1 BGEF C=C1CC[C@@H]2[C@@H]3[C@@H](C(C)(C)O)CC[C@]2(C)[C@H]13 100782049 FVPQQGXKOCOMAU-ARUSPNSKSA-N 220.356 3.386 30 1 BGEF endogenous,in-man C=CCN1CCc2ccsc2[C@@H]1C(C)C 28246084 IUOZYCSUAHKCCP-LBPRGKRZSA-N 221.369 3.489 30 1 BGEF C=C(/C=C/[C@H](CC[C@H](C)O)C(C)C)CCCO 238769066 ILTLDBNFZKICNW-LPXAQJHASA-N 240.387 3.305 30 1 BGEF C=C1CC[C@@H]2[C@H]3[C@H](C(C)(C)O)CC[C@]2(C)[C@@H]13 238772708 FVPQQGXKOCOMAU-NTASLKFISA-N 220.356 3.386 30 1 BGEF CC1(C)CCC[C@H]2O[C@H]2CCC(C)(C)C1=O 1646801 LTVIPBUWHMQWRE-MNOVXSKESA-N 224.344 3.339 30 1 BGEF C#CC(=O)/C=C1/CCC[C@@H](CCCCC)O1 15195414 SODAWQYBFIAKRW-KECPUOCWSA-N 220.312 3.222 30 1 BGEF N#Cc1c(C2CC2)[nH]c2cc(F)ccc12 587634721 CNERKSSPTSDNBE-UHFFFAOYSA-N 200.216 3.056 30 1 BGEF CC1=C2C(=O)[C@H](C(C)C)CC[C@]2(C)CC[C@@H]1O 2356421067 XWZCIIBBVRVHKN-SLEUVZQESA-N 236.355 3.099 30 1 BGEF C=C(C)[C@@H]1C[C@]2(C)[C@H](C)CC[C@H]3O[C@@]32CC1=O 2356687307 LIDIQYFRVZJBKG-BJBXXJATSA-N 234.339 3.115 30 1 BGEF C(#Cc1ccc2c(n1)CCCC2)c1ccccc1 28967995 WGJNWKPVRLKAIF-UHFFFAOYSA-N 233.314 3.360 30 1 BGEF in-vivo C=CCC[C@H](O)c1cc(C)c(O)c(C)c1 1629586 ZPYXXKBGYSHNDC-LBPRGKRZSA-N 206.285 3.009 30 1 BGEF C=C1C(=O)O[C@@H]2CC(=C)[C@H]3CC=C(C)[C@@H]3C[C@@H]12 5757678 KREYKRAJLBRHAZ-ZOBORPQBSA-N 230.307 3.017 30 1 BGEF C=C1C(=O)O[C@H]2C3=C(C)CCC[C@]3(C)CC[C@H]12 5766709 PJPHIAMRKUNVSU-UXIGCNINSA-N 232.323 3.385 30 1 BGEF C=C(C)CC[C@H]1CCCC[C@H](CN(C)C)C1=O 5853572 FIMDXLYYNGRIJW-ZIAGYGMSSA-N 237.387 3.280 30 1 BGEF CC(C)=CCC[C@@](C)(O)[C@@H]1CC=C(C)C(=O)C1 14444302 VEWUIXZHFZRBOM-UKRRQHHQSA-N 236.355 3.409 30 1 BGEF biogenic CC[C@@H]1C[C@H]2[C@@H]3CCC(=O)C=C3CC[C@@]2(C)[C@@H]1O 29480951 ABTDALAHKLLQIZ-LMXXTMHSSA-N 248.366 3.099 30 1 BGEF C=C(CC/C=C(\C)CO)[C@@H]1CC[C@@](C)(O)[C@H]1C 33955420 HGGIETPLSCSCRB-JWHNLWTMSA-N 238.371 3.059 30 1 BGEF C[C@@H]1CC=CC2=CC(=O)[C@@H]3[C@H](C3(C)C)[C@]21C 2356561604 BVLHCTFFMIUHGN-OBEQPXDXSA-N 216.324 3.370 30 1 BGEF CCCCC#Cc1c(C)[nH]c2ccccc2c1=O 64548467 LFZOZQSTHRROEG-UHFFFAOYSA-N 239.318 3.378 30 1 BGEF C=C1CC[C@@H](O)C(C)(C)/C=C\[C@@H](C)CCC1=O 169292710 SSWUIXHLQYARRL-GEQRGXFDSA-N 236.355 3.265 30 1 BGEF C/C=C/C#CC#C/C=C/C=C/CCCC=O 238740026 CWBXCZXHOHBSLY-MMOYHAHMSA-N 212.292 3.051 30 1 BGEF CCCCCCCc1coc(=O)c(C)c1OC 1857768891 JKCNUMJXOAUJPA-UHFFFAOYSA-N 238.327 3.470 30 1 BGEF CCCCCCCCC(=CCC(=O)O)C(=O)O 2356491668 NIXDINZDFZJZHG-UHFFFAOYSA-N 242.315 3.223 30 1 BGEF Cc1cc(-c2ccc(O)c(F)c2)ccc1/C=N/O 40429056 BAYYQFHLXFZJNK-LZYBPNLTSA-N 245.253 3.315 30 1 BGEF CCCC#CC#C/C=C/C=C/[C@@H]1CC[C@H](OC)O1 238741500 LWKMRSGECVFHLH-KCPFSGLPSA-N 244.334 3.057 30 1 BGEF COc1ccc(Cl)cc1C#Cc1ccccn1 587913286 NEZMNRVMVVLZSO-UHFFFAOYSA-N 243.693 3.143 30 1 BGEF C#CCN1CCC(/C=C/c2ccccc2)CC1 1857566136 WTYNLFJZCFEFLO-CMDGGOBGSA-N 225.335 3.045 30 1 BGEF C/C=C\C#CC#CC/C=C/CCCCCCO 15273963 FKQPPSYHQHKIAV-TWCXWQTESA-N 230.351 3.458 30 1 BGEF C=C[C@]1(C)CC[C@@H]2[C@H](C)C(=O)O[C@@H]2[C@H]1C(=C)C 257474734 LMNJALUUIMXUQQ-IHWVXMPCSA-N 234.339 3.343 30 1 BGEF endogenous,in-man O=C(O)[C@H](CS)Cc1cccc2ccccc12 26949592 PMSBXRREYWJGBP-LBPRGKRZSA-N 246.331 3.013 30 1 BGEF C=C1[C@@H]2C[C@H](O)[C@H](C)[C@@]23CC[C@H](C3)C1(C)C 33950744 JZLOTPMXLYBVOH-KBRXKUPHSA-N 220.356 3.386 30 1 BGEF C=C[C@@]1(C)CCC2=C(C)C(=O)O[C@H]2[C@@H]1C(=C)C 35837563 GXRBKDQCWNWEHB-GUTXKFCHSA-N 232.323 3.407 30 1 BGEF C=C1C[C@@]23CC(C)(C)C[C@@H](O)[C@@]2(C)CC[C@@H]1O3 238788559 ZLPNWSNKVQFZIT-CTHBEMJXSA-N 236.355 3.051 30 1 BGEF C=C1CCC[C@]2(C)C[C@]3(O)OCC(C)=C3C[C@@H]12 238786237 VIBKDXLGWZVQRC-CFVMTHIKSA-N 234.339 3.178 30 1 BGEF C=C(CC)C(=O)c1coc2cc(C#N)ccc12 587278004 BZJQTXVUQKHOGA-UHFFFAOYSA-N 225.247 3.453 30 1 BGEF C#CC(=O)Nc1ccc(CCCCCC)cc1 14969052 SYSHNOJOKWQTRL-UHFFFAOYSA-N 229.323 3.381 30 1 BGEF CC(C)Cc1ccc([C@@H](C)C(=O)/C=N/O)cc1 64475244 CBBFXBQUWYGYON-BTAWCLGRSA-N 233.311 3.018 30 1 BGEF C=C1C(=O)O[C@@H]2CC(C)=C3CC[C@H](C)[C@@H]3C[C@@H]12 15264472 GAPVTYWDGWKUKK-PWURMNTRSA-N 232.323 3.241 30 1 BGEF biogenic C#CCC1(c2nc3cccnc3[nH]2)CCCCC1 586878499 IXTFGCJHIHWTIC-UHFFFAOYSA-N 239.322 3.183 30 1 BGEF C[C@H]1C[C@H]1c1[nH]c2cccc([N+](=O)[O-])c2c1C#N 587647148 RVIKHXBXECHHNI-JGVFFNPUSA-N 241.250 3.071 30 1 BGEF C=C1C(=O)O[C@@H]2C[C@]3(C)CCC=C(C)C3=C[C@@H]12 15208060 VABBBANAQPBXBX-LNSITVRQSA-N 230.307 3.161 30 1 BGEF biogenic CCC[C@@]1(CC#N)NCCc2cc(C)c(F)cc21 962142058 DXEUYQPCTCSBJX-HNNXBMFYSA-N 246.329 3.189 30 1 BGEF CC1=C[C@@H]2c3c(C)coc3C[C@H](C)[C@@H]2CC1=O 2356391791 DFIGYGDRFSICLF-UWJYBYFXSA-N 230.307 3.399 30 1 BGEF C=C1CC[C@H](C(C)C)C=C[C@@](C)(O)CC[C@@H]1O 2356501096 NSIOXFVMCTYIOU-SOUVJXGZSA-N 238.371 3.057 30 1 BGEF C=C[C@]1(C)CCC2=C(C)C(=O)O[C@@H]2[C@@H]1C(=C)C 15150140 GXRBKDQCWNWEHB-KCQAQPDRSA-N 232.323 3.407 30 1 BGEF biogenic C=C1C(=O)O[C@H]2[C@@H]1CC=C(C)[C@]21CCC[C@@H]1C 34218002 NNZUGFBSPSJYDA-BYDSVVRCSA-N 232.323 3.241 30 1 BGEF C=C(C)[C@]1(O)CC[C@@]2(C)CCC(=O)C(C)=C2C1 82152365 ILQHRBAJJAOTHE-CABCVRRESA-N 234.339 3.163 30 1 BGEF C=C[C@H](C)C[C@@]1(C)SC(O)=C(C)C1=O 101036965 ATJXHWPZFVEADB-WRWORJQWSA-N 212.314 3.063 30 1 BGEF C=C1C(=O)O[C@H]2c3c(C)ccc(C)c3CC[C@H]12 2356428855 ZURUQOUMSVIBCE-TZMCWYRMSA-N 228.291 3.020 30 1 BGEF C=C(C)[C@@H]1CC[C@]2(C1)[C@@H](C)CC(=O)C[C@@H]2C=O 2356677507 RXSSJEZNYYKUBE-JLNYLFASSA-N 234.339 3.163 30 1 BGEF C=CCC[C@@H]1CCCCC/C1=N\N(C)C 5922667 JHDFENFBBMSVAW-VEOJIXDASA-N 208.349 3.451 30 1 BGEF C=CCN1CCc2cccc3c2[C@@H](CCC3)C1 27717798 HGOHHVSAARYECT-HNNXBMFYSA-N 227.351 3.151 30 1 BGEF C=C1C(=O)O[C@@H]2C[C@]3(C)CCC=C(C)[C@H]3C[C@@H]12 5437188 PQRAHHQIYITFCT-JLNYLFASSA-N 232.323 3.241 30 1 BGEF biogenic C=CCn1c(O)c(N=O)c2cc(C)ccc21 13570756 KMCODBVSTHJFKK-UHFFFAOYSA-N 216.240 3.239 30 1 BGEF CCCCCCCCC[C@@H]1C[C@@H](O)CC(=O)O1 85924481 OMEIKHSVICPVJQ-CHWSQXEVSA-N 242.359 3.194 30 1 BGEF O=C1C=CC[C@H](CC(=O)/C=C/c2ccccc2)C1 205750349 GTXPMYGNBFUUES-HBWSCVEGSA-N 240.302 3.194 30 1 BGEF C=CC(C)(C)c1nc2c(F)cnc(Cl)c2[nH]1 587954391 SCODTPHPKLQRGZ-UHFFFAOYSA-N 239.681 3.214 30 1 BGEF CC[C@@H]1C[C@H]2[C@H]3CCC(=O)C=C3CC[C@@]2(C)[C@@H]1O 29480957 ABTDALAHKLLQIZ-NVAJDRRBSA-N 248.366 3.099 30 1 BGEF C=C[C@](C)(O)CCC=C(C)CCC=C(C)CO 2356436747 YXIFOKDKHGSQOB-HNNXBMFYSA-N 238.371 3.369 30 1 BGEF COc1cc(CCC=O)cc(CC=C(C)C)c1O 13431157 MEVQWTRIXXHUQU-UHFFFAOYSA-N 248.322 3.041 30 1 BGEF biogenic COc1ccc2c3c(cccc13)C(=O)C=C2 39221764 GERKERNYWVDYCC-UHFFFAOYSA-N 210.232 3.058 30 1 BGEF C=C(CCC=C(C)CO)[C@@H]1CC[C@@](C)(O)[C@@H]1C 2356557935 HGGIETPLSCSCRB-QLFBSQMISA-N 238.371 3.059 30 1 BGEF C=CC[C@@H]1C(=O)C[C@]2(C)[C@@H](CC=C)C(=O)C[C@@]12C 5883567 YBOIABIWEKRFCE-CRJCFHLZSA-N 246.350 3.329 30 1 BGEF CC(C)=C1C[C@H]2[C@H](CC[C@H](C)O)[C@]2(C)CC1=O 100776842 OQZCUYXRSFWCJU-NHULGOKLSA-N 236.355 3.099 30 1 BGEF endogenous,in-man CC1(C)/C=C\C[C@]2(C)O[C@@H]2CC[C@]2(C)O[C@H]2C1 100783958 UFBUQKAQYQDEOE-PKCVKUEVSA-N 236.355 3.458 30 1 BGEF endogenous,in-man CC#CC/C=C\C=C\SCCCC(=O)OC 40504142 DDPOIBURIAPPNO-BQGCWICQSA-N 238.352 3.156 30 1 BGEF COc1ccc(CC[C@@H]2C=CC(=O)CC2)cc1 136908095 KYIZWSVXYSIPKA-GFCCVEGCSA-N 230.307 3.163 30 1 BGEF C=C1CC[C@@H]2[C@@H]1[C@H]1[C@@H](CC[C@]2(C)O)C1(C)C 238761364 GHXWXJHYNMHBGF-HVNMYJMUSA-N 220.356 3.386 30 1 BGEF CC1=CCC(C)(C)C=CC[C@]2(C)O[C@H]2[C@H](O)C1 2356432813 NLKDRIXWXCDONI-IPYPFGDCSA-N 236.355 3.217 30 1 BGEF C=C1[C@@H]2C[C@@H](O)C[C@@]23CC[C@@H](C3)C1(C)C 2356504955 LRKPKMYNYQJRMD-OPDFLTKYSA-N 206.329 3.140 30 1 BGEF N#Cc1c(-c2ccoc2)[nH]c2cccc(F)c12 587635710 PLBRVHWLMSKFCL-UHFFFAOYSA-N 226.210 3.439 30 1 BGEF CC1=C2CC[C@@]3(C)[C@H](O)[C@H](C)C[C@@H]3[C@H]2CCC1=O 29475910 MQUWOZCDCNPFTM-BGTSTNQPSA-N 248.366 3.099 30 1 BGEF Cc1sc2c(c1C)CCN[C@@]2(C)C[C@@H](C)C#N 963020960 ISPHVMWBPNOTPP-OTYXRUKQSA-N 248.395 3.276 30 1 BGEF CC(=O)CC[C@@H]1[C@H]2CC(=O)C(=C(C)C)C[C@@]12C 2356512276 XBAWTHOTVUOCMB-NFAWXSAZSA-N 234.339 3.307 30 1 BGEF C=C1C[C@H](O)[C@@H]2[C@@H]3[C@H](C(C)C)CC[C@@]2(C)[C@@H]13 101539743 DATKFZMVDXINEI-UJOWSUJOSA-N 220.356 3.242 30 1 BGEF CC1=C2C(=O)[C@](O)(C(C)C)CC[C@@]2(C)CCC1 103558032 ZANHXCFRKGGJIZ-HUUCEWRRSA-N 236.355 3.243 30 1 BGEF biogenic,in-vitro C=C(C)[C@@H]1[C@H](O)C=C[C@@H]2CC[C@H](C)C[C@H]21 2356792272 JNLCTWKBTBOGQR-QNSTZXKLSA-N 206.329 3.162 30 1 BGEF C=C1CCC[C@]2(C)C[C@H]3OC(=O)[C@H](C)[C@H]3C[C@@H]12 4082046 YYJRTJYCOMIDIC-ZHZXCYKASA-N 234.339 3.321 30 1 BGEF C[C@]12CCCC[C@H]1C(=O)C=C2c1ccoc1 95587444 XSKVEGBSXRHQTE-FZMZJTMJSA-N 216.280 3.442 30 1 BGEF C=CCOc1ccc([C@@H](CC)N=O)c(OC)c1 169688397 FVGYMUORGOMGIS-GFCCVEGCSA-N 235.283 3.478 30 1 BGEF O=C(NO)c1ccc(/N=N/c2ccccc2)cc1 888075882 GCEOFKRFBOHNIJ-CCEZHUSRSA-N 241.250 3.221 30 1 BGEF C=C1[C@H]2CC[C@@H]([C@@]2(O)OC)[C@@]1(C)C1CCCC1 2356357340 RXBHTDILEZJYGJ-TUVASFSCSA-N 236.355 3.114 30 1 BGEF Cc1cccc(C(=O)ON=C2CCSCC2)c1 192207 FFZJOOWNMMNIAE-UHFFFAOYSA-N 249.335 3.035 30 1 BGEF C[C@H]1CC[C@@H]2[C@H]1[C@H]1[C@@H](C[C@H]3O[C@]32C)C1(C)C 85645821 GLKQAHXBJLGAFT-LXAYBOCESA-N 220.356 3.482 30 1 BGEF biogenic,in-vitro CN1CCCCC/C1=N\C(=O)Nc1ccccc1 101127905 JWCLEHHBNDGSES-DTQAZKPQSA-N 245.326 3.123 30 1 BGEF CC1=CC(=O)[C@@H]2[C@@](C)(CC1)CC[C@@]2(O)C(C)C 40394578 QUTYSAHKWGWCNV-QLFBSQMISA-N 236.355 3.099 30 1 BGEF C=C1C(=O)O[C@@H]2C/C(C)=C\C=C/[C@H](C)CC[C@@H]12 1772491011 MMTZAJNKISZWFG-CITHWXFHSA-N 232.323 3.407 30 1 BGEF C=C1C[C@H](O)[C@@H]2[C@@H]3[C@H](C(C)C)CC[C@]2(C)[C@@H]13 1772571104 DATKFZMVDXINEI-XDSHMYFISA-N 220.356 3.242 30 1 BGEF C=C(C)CC[C@@H]1CCCC[C@H](CN(C)C)C1=O 5853552 FIMDXLYYNGRIJW-UONOGXRCSA-N 237.387 3.280 30 1 BGEF CC1(C)/C=C/C[C@]2(C)O[C@H]2CC[C@]2(C)O[C@H]2C1 14971583 UFBUQKAQYQDEOE-YBCIQVRMSA-N 236.355 3.458 30 1 BGEF Cc1coc2c1[C@@H](O)[C@@]1(C)C(=C2)C(=O)CC[C@@H]1C 238736724 GUQVBZWOPXBZGA-TZTCFGBESA-N 246.306 3.024 30 1 BGEF CC=C(C)C(=O)OCCCC#CC#CCCC 2356410433 LCOLQAYBODEXLX-UHFFFAOYSA-N 232.323 3.083 30 1 BGEF C=C(C)[C@@H]1C[C@]2(C)[C@H](C)CC[C@H]3O[C@]32CC1=O 2356687308 LIDIQYFRVZJBKG-OBRUSBNWSA-N 234.339 3.115 30 1 BGEF C/C=C/C#CC#C/C=C/C=C/CCCCC=O 238733263 NDAPUMLRLFELHL-MMOYHAHMSA-N 226.319 3.441 30 1 BGEF C[C@H]1CC(=O)C([C@]2(C)CCCC2(C)C)=CC1=O 2356445114 VMJFMEPSANWZNT-BONVTDFDSA-N 234.339 3.307 30 1 BGEF C=CCOc1ccc(/C=C/[C@H](C)N=O)cc1 169687509 JCFLAVJCTGFMOO-ZWNMCFTASA-N 217.268 3.420 30 1 BGEF CC1=CCC(C)(C)C=CC(=O)[C@H](C)[C@@H](O)CC1 2356588296 OIBRGSMIBZDMCG-OLZOCXBDSA-N 236.355 3.265 30 1 BGEF C=C1CCCC(C)(C)[C@@H]1C[C@@H]1C(=O)[C@H]1CC=O 2356634660 LAZAQULRWSSBPS-RWMBFGLXSA-N 234.339 3.163 30 1 BGEF CC(=O)/C=C(C)/N=N\c1c(O)[nH]c2ccccc12 18068735 SGZNUUIZEVEUKK-IMNGKGHESA-N 243.266 3.450 30 1 BGEF CC1(C)C[C@H]2[C@H]1CC[C@@]1(C)O[C@@H]1CC[C@]21CO1 34316862 ITCVFHPZQFFEGI-OGMFBOKVSA-N 236.355 3.149 30 1 BGEF CC[C@@]12CCC(=O)C=C1c1ccc(O)cc1C2 34799656 NNOSFPNZQSGPEI-HNNXBMFYSA-N 228.291 3.091 30 1 BGEF CC(C)=C1C(=O)CC[C@H](C)[C@@H]2CC(=O)C(C)=C12 2356422340 MDMAYZHYSHWNFI-ONGXEEELSA-N 232.323 3.227 30 1 BGEF C=C[C@@]1(C)CC2=C(C[C@H]1C(=C)C)C(=O)C=CC2=O 42922524 KZWBZRSKUWXBGO-BBRMVZONSA-N 242.318 3.169 30 1 BGEF biogenic,in-vitro C=C[C@@]1(C)C[C@H]2OC(=O)C(=C)[C@H]2C[C@@H]1C(=C)C 96085484 IFASGTOWHLMHEZ-BHPKHCPMSA-N 232.323 3.263 30 1 BGEF in-vitro C=C1C[C@H](O)C=C(C)CC[C@@H](C(C)C)[C@H](O)C1 2356335579 AQEMBMAEIOQGCX-QLFBSQMISA-N 238.371 3.057 30 1 BGEF CC#CC#CCC=CCCCCCC(C)=O 2356521517 BDBWGZIOILAGFU-UHFFFAOYSA-N 216.324 3.499 30 1 BGEF C=C1[C@@H](O)C[C@H]2[C@@H]3CC[C@H](C)[C@]12CC3(C)C 3994500 PXTIGSAHLHFBJH-HZQNPPOTSA-N 220.356 3.386 30 1 BGEF C=C1C[C@]2(O)O[C@]3(C[C@@H]2C(C)C)[C@@H](C)CC[C@H]13 5037481 QRMPRVXWPCLVNI-JARUQAPTSA-N 236.355 3.112 30 1 BGEF in-man C=C(C)[C@@H]1CC[C@@]2(C1)[C@@H]1CO[C@@]2(C)CC(=O)C1 14950165 YHIWYGHFGRMQMO-PAPYEOQZSA-N 234.339 3.117 30 1 BGEF endogenous,in-man C[C@@H]1C[C@@H]1c1[nH]c2cccc(F)c2c1C#N 587635282 JIVAVROGDGWVCO-SFYZADRCSA-N 214.243 3.302 30 1 BGEF Nc1ccccc1C=C1Cc2ccccc2C1=O 1857622500 VDYQCZPANJIJKH-UHFFFAOYSA-N 235.286 3.091 30 1 BGEF CCC1=C2CC[C@@]3(C)[C@H](O)CC[C@@H]3[C@@H]2CCC1=O 29475495 DOTDLCMVUVGSDP-RRCSTGOVSA-N 248.366 3.243 30 1 BGEF CC1(C)/C=C\C[C@]2(C)O[C@H]2CC[C@@]2(C)O[C@H]2C1 100783953 UFBUQKAQYQDEOE-BWCXMDAISA-N 236.355 3.458 30 1 BGEF endogenous,in-man C=C(C)[C@H]1C[C@]2(C)[C@@H](C)CC[C@@H]3O[C@@]32CC1=O 238785150 LIDIQYFRVZJBKG-RDCQKDKRSA-N 234.339 3.115 30 1 BGEF N#Cc1ccc(Nc2nncc3ccccc23)cc1 1772645518 LYKFUIDYYBNHOA-UHFFFAOYSA-N 246.273 3.245 30 1 BGEF CC(C)=C1C[C@]2(C)[C@H](C)CCC[C@H]2[C@@H](O)C1=O 2356595066 RQNTUHIZYNFVBE-DZGBDDFRSA-N 236.355 3.099 30 1 BGEF CC1=CC(=O)[C@H]([C@@](C)(O)C/C=C/C(C)C)CC1 95911884 PYNUQQKEADPDEB-XPHWWTOTSA-N 236.355 3.265 30 1 BGEF biogenic,in-vitro C=C[C@]1(C)CC[C@@H]2C(=C)C(=O)O[C@@H]2[C@H]1C(=C)C 2356742196 ZNTHTBBAGNVESR-GUIRCDHDSA-N 232.323 3.263 30 1 BGEF C=C1C(=O)O[C@@H]2c3c(C)ccc(C)c3CC[C@H]12 2356428854 ZURUQOUMSVIBCE-OCCSQVGLSA-N 228.291 3.020 30 1 BGEF C=C(C)[C@@H]1CCC(=O)[C@]23CC[C@@H](C)[C@]2(CC1)O3 2356513143 UHZUQJMIYUEZGO-RJZRQDKASA-N 234.339 3.260 30 1 BGEF C=C1C(=O)O[C@H]2C=C(C)CCC=CCC[C@@H]12 2356630610 XVYSFJOWUXMIEN-STQMWFEESA-N 218.296 3.161 30 1 BGEF CCC[C@]12CCC(=O)C=C1c1ccc(O)cc1C2 34633785 RPPGVDYXUYGNDX-MRXNPFEDSA-N 242.318 3.481 30 1 BGEF CC1(C)[C@@H]2C[C@H]1C(/C=C/c1ccncc1)=CC2=O 96931812 SIOSLVBHPPKYOE-PUWCWTCHSA-N 239.318 3.266 30 1 BGEF CC(=O)/C=C(O)\C=C/C=C/C=C/C(C)C 100308076 IRCXTHZTJSCJGT-RTUFBDJISA-N 206.285 3.342 30 1 BGEF in-vitro Oc1[nH]c2ccccc2c1/C=N/c1nccs1 102682707 BSKQAAYIGGYUAZ-VGOFMYFVSA-N 243.291 3.081 30 1 BGEF C=CC(C)(C)Oc1ccc2ccc(=O)oc2c1 26404194 LWWZIEULOBGMNK-UHFFFAOYSA-N 230.263 3.136 30 1 BGEF CC(C)=CCC[C@@H](C)[C@@]12CC[C@]3(C)O[C@@H]3[C@@H]1O2 84653181 FYNIKLSMJBFXBX-MRLBHPIUSA-N 236.355 3.458 30 1 BGEF CC(C)=CCC[C@H](C)[C@H]1CC(=O)C(C)=C[C@H]1O 2356449023 YDCNFZXDPQSPKG-NJZAAPMLSA-N 236.355 3.265 30 1 BGEF CC1=CCC(C)(C)C=CC[C@]2(C=O)O[C@@H]2CC1 2356603046 VVWHSNOLOHXZLS-UKRRQHHQSA-N 234.339 3.426 30 1 BGEF C=C1C(=O)O[C@H]2C3=C(C)C=CC3=C(C)CC[C@@H]12 15264766 GTSCJRHAZCEOEN-GXTWGEPZSA-N 228.291 3.081 30 1 BGEF biogenic CC[C@@H](O)CCC=CC#Cc1cccs1 2356450601 BDOXYFSAWLGAAI-GFCCVEGCSA-N 220.337 3.207 30 1 BGEF C[C@@H]1C[C@@H]2O[C@]2(C)CCC(=O)[C@@H]2CC(C)(C)[C@@H]12 2356453389 WKCFQJANAYCDAQ-LAEDSOSDSA-N 236.355 3.195 30 1 BGEF CC1=C(O)[C@@](C)(C2CCCCC2)SC1=O 13678455 UEFRJISCESZDKA-GFCCVEGCSA-N 226.341 3.431 30 1 BGEF C=C(C)[C@H]1CC=C(CN2C[C@H](C)O[C@@H](C)C2)CC1 34118491 HABGVALJRPPCLM-DZKIICNBSA-N 249.398 3.398 30 1 BGEF CC1=CCC(C)(C)[C@@H]2CC[C@](C)(O)C2=CC1=O 49055367 DALCJJKJCXNGKA-ABAIWWIYSA-N 234.339 3.019 30 1 BGEF N#Cc1cccc2c1Cc1ccccc1N=C2 64548456 VDSJOHLEATVHRK-UHFFFAOYSA-N 218.259 3.213 30 1 BGEF CC1(C)CCC[C@@]1(C)[C@H]1C[C@@H]2O[C@]2(C)[C@H]2O[C@H]21 238784983 MVLIADDEJBPTSN-ZVOPPPCBSA-N 236.355 3.148 30 1 BGEF C=C(C)[C@@H](C)N(O)c1ccc2ccccc2n1 73158745 OZPQZRYNHHVXPB-LLVKDONJSA-N 228.295 3.395 30 1 BGEF C=C[C@]1(C)C[C@H]2OC(=O)[C@@H](C)[C@H]2C[C@H]1C(=C)C 238733226 HHMGIPSZHRMYCD-GGAZOKNXSA-N 234.339 3.343 30 1 BGEF C=C1CC[C@H]2[C@H]3[C@@H](C(C)(C)O)CC[C@@]2(C)[C@@H]13 257420477 FVPQQGXKOCOMAU-DKBOKBLXSA-N 220.356 3.386 30 1 BGEF endogenous,in-man Cc1cccc2nc(-c3ccc(O)c(C#N)c3)[nH]c12 587188874 UPQMKXYIILYDMG-UHFFFAOYSA-N 249.273 3.116 30 1 BGEF CC1=CC(=O)C[C@@]2(C)CC[C@](O)(C(C)C)C[C@H]12 1857645688 OPBCZTKTCZFQCK-RBSFLKMASA-N 236.355 3.099 30 1 BGEF C=C1CC[C@H]2C[C@@]3([C@@H](CO)CC[C@H]13)C2(C)C 2356472575 BVQAARKEKMVAKI-JLNYLFASSA-N 220.356 3.387 30 1 BGEF C=C(CCC=C(C)CO)[C@@H]1CC[C@](C)(O)[C@@H]1C 2356557933 HGGIETPLSCSCRB-ILXRZTDVSA-N 238.371 3.059 30 1 BGEF CC1=CC(=O)[C@@H]2[C@H]3[C@H](C(C)C)CC[C@]2(C)[C@@H]13 197393637 CTFSUCDHRVDRKG-HWKXDMQWSA-N 218.340 3.450 30 1 BGEF C=CCc1cc2c(cc1OCC=C(C)C)OCO2 14680204 ZVLUSCHAEWICMZ-UHFFFAOYSA-N 246.306 3.489 30 1 BGEF biogenic CC(=O)N(O)[C@H](C)c1ccc(CC(C)C)cc1 27556211 HUJZZJJEIUVNDJ-LLVKDONJSA-N 235.327 3.184 30 1 BGEF CCCCCCCC(=O)CCCC(=O)OC 196749795 IQOYTGDLAQAXMD-UHFFFAOYSA-N 228.332 3.259 30 1 BGEF C=C1CCC[C@@]2(C)CC[C@@H]3C(=C)C(=O)O[C@H]3[C@H]12 238775406 XUYAKPXYKQEFPD-COMQUAJESA-N 232.323 3.241 30 1 BGEF CCCN1CCC[C@@H]2CC3=C(CCCC3=O)C[C@@H]21 28568414 QLIKRYHBUISCTR-HIFRSBDPSA-N 247.382 3.320 30 1 BGEF N#Cc1ccc(OCCc2ccccc2)cc1C#N 87723541 VXCBZZRQTKCOPI-UHFFFAOYSA-N 248.285 3.051 30 1 BGEF C/C1=C/CC2=C(C/C(C)=C/CC1)C(=O)C=CC2=O 169298233 IYBUBJTWRYPRSI-FLPZMXERSA-N 242.318 3.458 30 1 BGEF C/C1=C\CC[C@]2(C)O[C@@H]2[C@H](O)[C@H](C(C)C)CC1 197029993 KLQPHHIQARFSDE-XAZLDPBRSA-N 238.371 3.297 30 1 BGEF C/C=C/C#CC#C/C=C\C=C/CCCOC(C)=O 199726429 BSPUEFFDQHCPTB-ZXQARXGMSA-N 242.318 3.025 30 1 BGEF CC(C)=CC(=O)C=C(C)CCCC1=CC(=O)OC1 2356424367 SZHJDXKBXJJFHM-UHFFFAOYSA-N 248.322 3.122 30 1 BGEF CC(=O)C=CC[C@H](C)[C@@H]1CCC(C)=CC1=O 2356454224 DBDPAGHPZRJFOC-AAEUAGOBSA-N 220.312 3.083 30 1 BGEF CSC(=NC=Cc1ccc(O)cc1)SC 2356627749 VIQLDTHCJGLTLT-UHFFFAOYSA-N 239.365 3.445 30 1 BGEF C[C@H]1CCC[C@H]2CC(=O)C(C(C)(C)O)=C[C@@]12C 14450826 LYFRYUAWUBLCKH-PGUXBMHVSA-N 236.355 3.099 30 1 BGEF endogenous,in-man C=C(CCCO)[C@@H]1CC(C)(C)[C@H]1CCC(C)=O 14508582 MAIZBVUEICRYMG-KBPBESRZSA-N 238.371 3.347 30 1 BGEF biogenic C=C(C)C=COc1ccc2ccc(=O)oc2c1 2356533470 GTQCTQOLONOESF-UHFFFAOYSA-N 228.247 3.262 30 1 BGEF CC=CC#CC#CCC=CCCCCOC(C)=O 2356580860 CHYMZOFPJIPFFY-UHFFFAOYSA-N 244.334 3.249 30 1 BGEF CC(=O)N(O)[C@H](C)c1cc2ccccc2s1 180070 QHXPDZPAJHZYNT-MRVPVSSYSA-N 235.308 3.200 30 1 BGEF C=C1C(=O)O[C@H]2[C@@H]1CCC(=C)[C@]21CCC[C@@H]1C 38813365 NMBBHNAJZLDDOQ-BYDSVVRCSA-N 232.323 3.241 30 1 BGEF O=C(/C=C/C=C/c1ccccc1)c1ccc[nH]1 219346444 UFNVFMUJEGROII-HINBXAKRSA-N 223.275 3.467 30 1 BGEF C=C1C(=O)O[C@@H]2C[C@H](C)[C@@H]3CC=C(C)[C@H]3C[C@H]12 2356438425 FPYYHRVRNGJDJA-DDNMXHNFSA-N 232.323 3.097 30 1 BGEF CC1=C(c2ccc3ncccc3c2)CCC1=O 45497859 SVJHUJBEYQGZSM-UHFFFAOYSA-N 223.275 3.371 30 1 BGEF CC1(C)O[C@]23C[C@H]1CC[C@]2(C)CC[C@@H]1O[C@@]13C 136735989 SMVQLPPNRFDHMB-QFCKPIOYSA-N 236.355 3.292 30 1 BGEF CC1(C)C[C@@H]2[C@@H]1CC[C@@]1(C)O[C@H]1CC[C@]2(C)O 169294808 KGYCKUADVHYVLM-CUZKYEQNSA-N 238.371 3.131 30 1 BGEF O=C1C(=Cc2ccccn2)CCc2ccccc21 1857623411 ZXFHIHFMBOWHPB-UHFFFAOYSA-N 235.286 3.294 30 1 BGEF C=C[C@@H]1CCC(=C)[C@@H]2CCC(C(=O)OC)=C[C@@H]12 2356478542 HYMOLJMMZNNOBO-XBFCOCLRSA-N 232.323 3.264 30 1 BGEF C=C1[C@@H]2CCC3=C(C(=O)OC3)[C@]2(C)CC[C@H]1C 14929590 GCLXGPRAUABJSQ-MURWCNHISA-N 232.323 3.242 30 1 BGEF biogenic CC(C)[C@@H]1CC[C@H](C)C/C1=N\CCCC(=O)O 103195632 PJBPJVMCCWFJOT-NWKFZWBHSA-N 239.359 3.384 30 1 BGEF CC1=CC(=O)[C@H](C)[C@]1(C)[C@@H]1CC(C)(C)CC1=O 2356600602 QXVKQZFXJUOIBM-FIXISWKDSA-N 234.339 3.163 30 1 BGEF CC1=CC(=O)[C@H]2[C@@H]3[C@H](C(C)C)CC[C@]2(C)[C@@H]13 100781020 CTFSUCDHRVDRKG-WCDYYPSBSA-N 218.340 3.450 30 1 BGEF endogenous,in-man C=CCNC(=O)/C(C)=C(/C)c1ccc(C)cc1 2001153 USSPLFGFHXEMPX-SEYXRHQNSA-N 229.323 3.091 30 1 BGEF C=C1CC[C@H]2[C@H]3[C@@H](C(C)(C)O)CC[C@@]2(C)[C@H]13 104372990 FVPQQGXKOCOMAU-RLPMIEJPSA-N 220.356 3.386 30 1 BGEF in-man CCCc1[nH]c2cc(F)ccc2c1C#N 587634836 FVNSHXKCTSOFDS-UHFFFAOYSA-N 202.232 3.131 30 1 BGEF CCCCCCC=CC=CC[C@@H](O)[C@H](C)N 2356518419 PPIVUDKXEACPOL-UONOGXRCSA-N 225.376 3.167 30 1 BGEF CC1=CCC[C@@]2(C)CC3=C(C[C@@H]12)C(=O)C=CC3=O 43606380 GXIJLOWPICPBSR-BBRMVZONSA-N 242.318 3.147 30 1 BGEF CC1(C)[C@@H]2C[C@H]1C(/C=C/c1cccnc1)=CC2=O 96931810 PBPJOIVAEQBLNV-BUHQSOCUSA-N 239.318 3.266 30 1 BGEF C=C(C)[C@H]1CC2=C(C)C(=O)CC[C@@]2(C)C[C@@H]1O 56874354 JJQLZXVYTGKGNA-UGFHNGPFSA-N 234.339 3.019 30 1 BGEF in-vitro C=C1CC[C@@H]2C[C@@H]3[C@H]1CC[C@@]31C[C@@]21CC(=O)OC 197162551 OVHHBPJWMKEJNA-RHBQXOTJSA-N 246.350 3.322 30 1 BGEF C=C[C@]1(C)C=C2NC(=O)C(C)=C2C[C@@H]1C(=C)C 2356397915 KHYMPNHQRKVOEQ-IUODEOHRSA-N 229.323 3.105 30 1 BGEF C=C[C@]1(C)C[C@H]2OC(=O)C(C)=C2C[C@H]1C(=C)C 15150142 IEOHWPUTLCTSCQ-GZBFAFLISA-N 232.323 3.407 30 1 BGEF biogenic C=C1CC[C@@H](C(C)C)[C@@H](O)/C=C(\C)CC[C@@H]1O 15254341 WQYONXWMGBWUDV-SNSYNLEUSA-N 238.371 3.057 30 1 BGEF ON=C1C(Cl)=C(Cl)C(Cl)=C1Cl 1857628783 BFJUKRDCIXDSSK-UHFFFAOYSA-N 232.881 3.209 30 1 BGEF CC(C)=CCCC(C)=C1CC(=O)C(C)=C[C@H]1O 2356522467 IJJMGKKVCJEOHH-OAHLLOKOSA-N 234.339 3.329 30 1 BGEF CC(C)=CC[C@H](O)[C@@H](C)[C@H]1CCC(C)=CC1=O 2356664778 HYETZUGKRWIYSQ-MJBXVCDLSA-N 236.355 3.265 30 1 BGEF CC1(C)O[C@]23C[C@H]1CC[C@]2(C)CC[C@H]1O[C@]13C 36421469 SMVQLPPNRFDHMB-OKNSCYNVSA-N 236.355 3.292 30 1 BGEF N#Cc1cccc2c1Oc1ccccc1C=N2 64548355 LRXCVGAPNHYEBT-UHFFFAOYSA-N 220.231 3.415 30 1 BGEF C=C(C)[C@H]1CC[C@]2(C)[C@H]3CC[C@](C)(O)[C@H]2[C@H]13 104373026 DGXZNOOUXAHVAE-DXUDUQDWSA-N 220.356 3.386 30 1 BGEF in-man C=C(C)[C@H]1CC[C@@]2(C)[C@H]3CC[C@](C)(O)[C@H]2[C@H]13 104373034 DGXZNOOUXAHVAE-QZOBBIQNSA-N 220.356 3.386 30 1 BGEF in-man CC(=CC(=NO)C(F)(F)F)c1ccccc1 2356321580 CKCZQJGAVFWMOJ-UHFFFAOYSA-N 229.201 3.482 30 1 BGEF CC(=O)/C=C(O)\C=C/C=C\C=C\C(C)C 100308067 IRCXTHZTJSCJGT-BZWNFRJISA-N 206.285 3.342 30 1 BGEF in-vitro C=C1C(=O)O[C@@H]2CC(=C)[C@@H]3CCC(=C)[C@@H]3C[C@H]12 238759357 IKRIZEKDIQYHTL-IGQOVBAYSA-N 230.307 3.017 30 1 BGEF C/C1=C/CC/C(CO)=C/CC(C)(C)/C=C/C1=O 238761388 IZKAIJSKFKIFNZ-PBCCAOCBSA-N 234.339 3.187 30 1 BGEF N#Cc1cccc2nc(C=C3CCC3)[nH]c12 587964521 ARVCZNLSPVWEGT-UHFFFAOYSA-N 209.252 3.002 30 1 BGEF CC1=CC[C@@H](/C(C)=C\C(=O)CC(C)(C)O)CC1 14444309 VETWBGGPKLAQQE-KIWPFMIBSA-N 236.355 3.409 30 1 BGEF CC(C)=CCC[C@@H](C)[C@H]1CCC(CO)=CC1=O 14444318 XLSXOQZUYPFQQM-TZMCWYRMSA-N 236.355 3.267 30 1 BGEF biogenic CC1(C)[C@H]2CC[C@]1(C)C(=O)/C2=C/[C@H]1CCCCN1 40488546 GYNPPAAQUQBHIM-JXXFRBORSA-N 247.382 3.080 30 1 BGEF C=C1[C@@H]2[C@@H](C[C@H]1C)C(=C)CC[C@@H]1C(=C)C(=O)O[C@@H]21 2356682967 BTSWHLURRDXRKW-SWMGHYKJSA-N 244.334 3.263 30 1 BGEF C=C[C@@](C)(O)CCC[C@](C)(O)CC=CC(=C)C 2356700661 DKXVALLHXIQEOG-HUUCEWRRSA-N 238.371 3.367 30 1 BGEF C=C(C)[C@@]1(O)CC[C@]2(C)CCC[C@](C)(O)[C@H]2C1 169671277 FPODEVIVZNBUMT-ZQDZILKHSA-N 238.371 3.035 30 1 BGEF CC(C)=CC[C@H](O)[C@H](C)[C@@H]1CCC(C)=CC1=O 2356664779 HYETZUGKRWIYSQ-RDBSUJKOSA-N 236.355 3.265 30 1 BGEF CC(C)=C1C[C@]2(C)C(=CC1=O)CC[C@H](O)[C@@H]2C 14450300 TVDMUSYVWJLIDK-XEGUGMAKSA-N 234.339 3.019 30 1 BGEF biogenic CC1(C)C/C(=N\Nc2ccccc2)C(C)(C)O1 27555536 KTDJUXCLZGLHBB-FOWTUZBSSA-N 232.327 3.432 30 1 BGEF C=CC[C@@](C)(N)c1nc2cc(C)c(Cl)cc2[nH]1 587257497 CCWGHCZDVBXKEP-CYBMUJFWSA-N 249.745 3.275 30 1 BGEF C=C1c2ccoc2C[C@@]2(C)[C@H](C)CC(=O)[C@@]12C 15194524 WMSUMQVFQIIXOQ-TURNYIBQSA-N 230.307 3.470 30 1 BGEF CC/N=C(/Cc1ccc2ccccc2c1)NCC 29463389 FTMBEWKZWGSHDQ-UHFFFAOYSA-N 240.350 3.410 30 1 BGEF CCCCc1ccc(/N=C/N(C)O)c(C)c1 49707600 OLVFCTNNTAVXAJ-GXDHUFHOSA-N 220.316 3.318 30 1 BGEF C=C(C)C#Cc1ccc(O)c2c1CC(C)(C)O2 238789806 OXUABLGHDLQARM-UHFFFAOYSA-N 228.291 3.033 30 1 BGEF CC(C)[C@@H]1CC[C@@]2(C)[C@H]1[C@@H]1O[C@@H]2CC[C@H]1C=O 2356431631 XVCBCGVWVYCAMM-BBZRCZKMSA-N 236.355 3.051 30 1 BGEF CC(C)=CC(=O)C=C(C)[C@@]1(O)CC=C(C)CC1 2356784518 OWUWKGDMPZLWFL-OAHLLOKOSA-N 234.339 3.329 30 1 BGEF C/C1=C\C/C(=C(/C)CO)C(=O)C/C(C)=C/CC1 27084305 OYONKNQJEXRUQZ-UPXYLJBOSA-N 234.339 3.331 30 1 BGEF biogenic,in-vitro CNC[C@@H]1C[C@@H]1c1cccc2cc(C#N)ccc12 28960288 JUYWPKNJPYGGJT-BBRMVZONSA-N 236.318 3.034 30 1 BGEF C=C1[C@H]2C[C@@H](C[C@H]2CO)[C@@]1(C)C1CCCC1 2356352494 VAAGZYITNDTUND-ZGKBOVNRSA-N 220.356 3.387 30 1 BGEF C=C1CC[C@@H]2[C@H]([C@@H]3C[C@@H](C)C[C@H]13)[C@@]2(C)CN 85545010 NDTNPKKWPZTXBH-BBSLFKGGSA-N 219.372 3.210 30 1 BGEF biogenic,in-vitro CC(C)=C1C[C@@H]2[C@@H](CC[C@H](C)O)[C@@]2(C)CC1=O 104359987 OQZCUYXRSFWCJU-XTWPYSKKSA-N 236.355 3.099 30 1 BGEF in-man C=C1C(=O)O[C@]23C[C@H]1CC[C@@]2(C)C=CC=C(C)O3 238788818 OPECPXOTRXOBET-BPLDGKMQSA-N 246.306 3.092 30 1 BGEF C=CCC(C)(C)c1nc2cncc(C)c2[nH]1 587954462 VYBMEAWEFSGURF-UHFFFAOYSA-N 215.300 3.120 30 1 BGEF C#CCN1CCc2ccccc2[C@@H]1C1CCC1 45287762 YPVOXJDCZDZJRM-INIZCTEOSA-N 225.335 3.019 30 1 BGEF C#CC=CC[C@@H]1CC[C@@H](CCC#C)[C@@H]2CCCN12 2356775649 OKKDNJLUTGCCGP-ZACQAIPSSA-N 241.378 3.222 30 1 BGEF C=C(C)[C@@H]1CC[C@]2(C1)[C@@H]1CO[C@@]2(C)CC(=O)C1 14950171 YHIWYGHFGRMQMO-DHMWGJHJSA-N 234.339 3.117 30 1 BGEF endogenous,in-man C=C(C)[C@H]1CC[C@@]2(C)CC[C@H](O)[C@@]3(C)O[C@@]23C1 85757125 AXKKANUAFIGTQI-LXFSFDBISA-N 236.355 3.051 30 1 BGEF in-man C=C1CCC[C@@H](C)C(=O)C(=O)[C@@H]2[C@@H]1CC2(C)C 169720408 UZIQKKDYIADBEB-UTUOFQBUSA-N 234.339 3.163 30 1 BGEF CCCCCCCCCCOC(=O)[C@@H](O)CC 60262947 OSWNJZRYTMKNID-ZDUSSCGKSA-N 244.375 3.441 30 1 BGEF C#CCC1(c2nc3cnccc3[nH]2)CCCCC1 586879575 UFERBCJOZVVXCQ-UHFFFAOYSA-N 239.322 3.183 30 1 BGEF N#CCC(=O)c1coc2ccc(Cl)cc12 587275490 AUMILQPCIHDMKU-UHFFFAOYSA-N 219.627 3.183 30 1 BGEF C=CCC(C)(C)[C@@H]1NCCc2c(C)ccnc21 963065403 DNKHJYYQSXLTAG-CQSZACIVSA-N 230.355 3.179 30 1 BGEF CCc1[nH]c2cc(Cl)c(F)cc2c1C#N 587630161 GEFJGVGSGQCMLV-UHFFFAOYSA-N 222.650 3.394 30 1 BGEF C#CCN1CCC(/C=C/c2ccccc2F)CC1 1857550527 GDAHGLCNMKPIIM-BQYQJAHWSA-N 243.325 3.184 30 1 BGEF C#CC(=O)C=C1CCC[C@H](CCCCC)O1 2356519229 SODAWQYBFIAKRW-ZDUSSCGKSA-N 220.312 3.222 30 1 BGEF CC1(C)CCC[C@]2(CO2)[C@@H]2CC[C@]3(C)O[C@@H]3[C@H]21 2356659672 NPCUVKWCXITFFV-MIBAYGRRSA-N 236.355 3.149 30 1 BGEF C=C(C)CC[C@@H]1C=[N+]([O-])OC(C)(C)C1(C)C 1861560 JNUDGLGROMDYQN-LLVKDONJSA-N 225.332 3.290 30 1 BGEF C=C1c2cc(O)c(C)cc2[C@@H](C(C)C)[C@@H]2O[C@H]12 6070408 URTXGVQEWHGDOT-KFWWJZLASA-N 230.307 3.234 30 1 BGEF CCCS/C(=N/c1ccc(F)cc1)NC 28343045 NFVJBDNKWDUXQC-UHFFFAOYSA-N 226.320 3.176 30 1 BGEF C/C=C/C#CCC/C=C/C=C/C(=O)NCC(C)C 15146230 NFFPFDVUIWBNTI-NOPLWHKLSA-N 245.366 3.231 30 1 BGEF C=C(CC[C@H]1OC1(C)C)[C@@H]1CC=C(C)C(=O)C1 13377643 COPMDTOSSWNRBZ-TZMCWYRMSA-N 234.339 3.426 30 1 BGEF C=C[C@@](C)(O)CC[C@@H]1C(=C)C(=O)C=CC1(C)C 14491149 ZDSWZDUWGQSTNA-IUODEOHRSA-N 234.339 3.041 30 1 BGEF biogenic C=C1CC[C@H](O)C[C@@H]1[C@@]1(C)O[C@@H]1CC=C(C)C 2356524035 NKCBUMYAPXFQEQ-BYNSBNAKSA-N 236.355 3.217 30 1 BGEF CC1=Cc2c(c(C)cc3occ(C)c23)C(=O)C1=O 14765971 NOOPZJRIWGLYAJ-UHFFFAOYSA-N 240.258 3.218 30 1 BGEF biogenic,in-vitro C=CCN1CC[C@@]2(C)c3ccccc3C[C@H]1[C@H]2C 100719702 DCDPEUIZVWTSCT-XOKHGSTOSA-N 241.378 3.397 30 1 BGEF C(=NN1CCCCCC1)c1c[nH]c2ccccc12 263611239 WXQZVIWSWXIOGY-UHFFFAOYSA-N 241.338 3.378 30 1 BGEF Cc1ccc(-c2nc3cccc(O)c3[nH]2)cc1C#N 587187949 KZOQVUSDZAWQNB-UHFFFAOYSA-N 249.273 3.116 30 1 BGEF CC#Cc1nc2cccc(C(C)(C)C)c2[nH]1 587953968 XJPXVQUVXDVYML-UHFFFAOYSA-N 212.296 3.232 30 1 BGEF C=CC[C@@]1(c2ccc(OC)cc2)C=CC(=O)CC1 5518506 MRRVEXMNPHRCNT-MRXNPFEDSA-N 242.318 3.428 30 1 BGEF C/C1=C/CC/C(C(=O)O)=C/CC(C)(C)/C=C\C1=O 95914118 BPPXABXKJZPLPR-YEJJTQLDSA-N 248.322 3.279 30 1 BGEF biogenic,in-vitro CC(C)=CC(=O)[C@H]1[C@@H](C)CC[C@]1(O)c1ccoc1 238746729 MZISRFGDZVZINJ-GLQYFDAESA-N 248.322 3.049 30 1 BGEF C#CCN1CCC(/C=C/c2ccc(C)cc2)CC1 1857602754 SAKPNVZTNJAFLP-CMDGGOBGSA-N 239.362 3.353 30 1 BGEF CC(C=CC[C@]12CC(=O)O[C@@H]1O2)=CC=CC(C)C 2356404936 BEGRCIAYFKRHRI-CABCVRRESA-N 248.322 3.133 30 1 BGEF CC=C(C)[C@@H]1SC(=O)C(C)=C(O)[C@@H]1C 2356416276 OAVVXAWSFUKBGM-XVKPBYJWSA-N 212.314 3.063 30 1 BGEF CC1=C2C(=O)[C@H](C(C)C)CC[C@@]2(C)CC[C@@H]1O 2356421066 XWZCIIBBVRVHKN-HUBLWGQQSA-N 236.355 3.099 30 1 BGEF C=C(C)C=C[C@H](CCC(=O)OC)C(C)C 2356483296 ILAHHKIQUIDZFP-GFCCVEGCSA-N 210.317 3.344 30 1 BGEF C=CC=CC#CC(=S)C=CC(=S)C#CC 2356614955 PCXHNFYOAGHLJL-UHFFFAOYSA-N 230.357 3.051 30 1 BGEF CC(C)=C1CC[C@H](C)[C@@H]2CC(=O)C(C)=C2C1=O 2356738318 JQVILCNVZIJJEO-CABZTGNLSA-N 232.323 3.227 30 1 BGEF N#Cc1c(-c2ccncc2)[nH]c2cc(F)ccc12 587636842 LIRPDXXBYWCVFQ-UHFFFAOYSA-N 237.237 3.241 30 1 BGEF CC1=C[C@H](C(C#N)C#N)C=C(c2ccccc2)O1 237856 QWFSICOHWJBJCG-ZDUSSCGKSA-N 236.274 3.241 30 1 BGEF CN/C(=N\c1ccccc1C)SC(C)C 28340742 NDKJPOHVDDUAGV-UHFFFAOYSA-N 222.357 3.344 30 1 BGEF C=C(C)[C@@H]1CC[C@@]2(C)CC[C@@H](O)[C@]2(C(C)=O)C1 100780381 YALFFHSIVPCNLF-APIJFGDWSA-N 236.355 3.099 30 1 BGEF endogenous,in-man CC#Cc1nc2cc3ccccc3cc2[nH]1 587953559 NRXIKKURFRSMCJ-UHFFFAOYSA-N 206.248 3.088 30 1 BGEF C=C(C=C[C@H](CC[C@@H](C)O)C(C)C)CCCO 2356466499 ILTLDBNFZKICNW-HUUCEWRRSA-N 240.387 3.305 30 1 BGEF C=C1C(=O)O[C@@H]2[C@@H]1CCC(=C)[C@@H]1C[C@@H](C)C(=C)[C@@H]12 2356682965 BTSWHLURRDXRKW-DALJILGISA-N 244.334 3.263 30 1 BGEF C=CC(C)=C[C@]1(C)SC(=O)C(CC)=C1O 2356792600 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C#C/C=C\C[C@@H]1CC[C@@H](CCC#C)[C@@H]2CCCN12 238784157 OKKDNJLUTGCCGP-SIGXGZAZSA-N 241.378 3.222 30 1 BGEF C=C1Cc2occ(C)c2C(=O)C[C@H](C)C[C@@H]2O[C@H]12 14971347 DHQZOOQNUWHCML-MIUALZABSA-N 246.306 3.067 30 1 BGEF biogenic C[C@H]1CCC[C@H]2CC(=O)C(C(C)(C)O)=C[C@]12C 85848515 LYFRYUAWUBLCKH-ZIBATOQPSA-N 236.355 3.099 30 1 BGEF in-man CCCC/C=C/[C@]1(C)SC(=O)C=C1O 101446552 LQVQBLAUOXAXTI-MLRMMBSGSA-N 212.314 3.207 30 1 BGEF C=CC(C)(C)c1nc2cc(F)cc(F)c2[nH]1 587954268 LUIYKOGYLAOEHS-UHFFFAOYSA-N 222.238 3.305 30 1 BGEF C=C[C@@](C)(O)CCC1=C(C)CCC(=O)C1(C)C 14491172 WUDGRNTXCODRSB-OAHLLOKOSA-N 236.355 3.409 30 1 BGEF biogenic CC1=C2CC[C@@]3(C)[C@H](O)[C@@H](C)C[C@@H]3[C@H]2CCC1=O 29482702 MQUWOZCDCNPFTM-KPZJGCQBSA-N 248.366 3.099 30 1 BGEF CCCCCCCCCCOC(=O)[C@H](O)CC 60262945 OSWNJZRYTMKNID-CYBMUJFWSA-N 244.375 3.441 30 1 BGEF C=C(CO)[C@H]1CCC(=C)[C@H]2CC=C(C)[C@@H]2C1 138603585 JSLOUFBBEUELJJ-ZNMIVQPWSA-N 218.340 3.474 30 1 BGEF C=C1CC[C@H](C(C)C)C=C[C@@](C)(O)CC[C@H]1O 2356501095 NSIOXFVMCTYIOU-RRFJBIMHSA-N 238.371 3.057 30 1 BGEF C=C[C@H](C=C(C)COC(=O)CC)C(=C)C 2356649675 UYACSVLHQPEITQ-GFCCVEGCSA-N 208.301 3.264 30 1 BGEF O=C(NO)c1ccc2ccc3ccccc3c2c1 28105728 NDIZNAOCRKZKMN-UHFFFAOYSA-N 237.258 3.112 30 1 BGEF in-vivo C=CCc1c(C)nc2cccc3c2c1CC3 587214352 SINOPTZATYKXQN-UHFFFAOYSA-N 209.292 3.370 30 1 BGEF CC[C@]12CCC3=C(C)C(=O)CC[C@H]3[C@@H]1CC[C@@H]2O 29483140 ZGWSYIQVEGMGSR-VRKREXBASA-N 248.366 3.243 30 1 BGEF N#Cc1ccccc1Oc1ccc(F)cc1O 96167323 WBZJJFGHAMTACL-UHFFFAOYSA-N 229.210 3.195 30 1 BGEF CC1=CCC(C)(C)C=CC(=O)[C@@H](C)[C@@H](O)CC1 1857753744 OIBRGSMIBZDMCG-STQMWFEESA-N 236.355 3.265 30 1 BGEF Cc1cc(C)cc(Nc2snc(O)c2C#N)c1 28707442 XRQBGANJEFCEEV-UHFFFAOYSA-N 245.307 3.081 30 1 BGEF C=C1CC[C@@H](O)[C@]2(C)C[C@@H]3[C@@H](C(C)C)[C@@H]3[C@@H]12 238775419 WVVFQZGQVPKOMT-OJVARPOJSA-N 220.356 3.242 30 1 BGEF CC(=O)[C@H]1CC[C@H]2[C@@H](CCC3=CC(=O)CC[C@@H]32)C1 105026642 FZBFFQIUPYHEAP-APYUEPQZSA-N 246.350 3.307 30 1 BGEF Cc1c([C@@H](C)C#N)[nH]c2cc(F)ccc12 587635465 MDBKLJJVVACTAZ-ZETCQYMHSA-N 202.232 3.243 30 1 BGEF CC1=C[C@]23OC(C)(C)[C@@H]2CC[C@H](C)C3=CC1=O 2356801982 RVWCZVFWAKZZHV-DYQSUWPFSA-N 232.323 3.036 30 1 BGEF CC1=C2C=C(C(C)C)CC[C@]2(C)[C@H](O)CC1=O 14452343 VYOQFQGGSXEVCX-CABCVRRESA-N 234.339 3.019 30 1 BGEF biogenic O/N=C1\c2ccccc2-c2[nH]c3ccccc3c21 95590514 PIYPLDSLQVNCLT-BMRADRMJSA-N 234.258 3.375 30 1 BGEF C=C1CC[C@H]2[C@@H]([C@@H]3[C@H]1CC[C@]3(C)O)C2(C)C 136908303 FRMCCTDTYSRUBE-CXOVXGEYSA-N 220.356 3.386 30 1 BGEF N#CCC[C@H]1[C@@H]2C[C@H]([C@@H]3[C@H]4C=C[C@H](C4)[C@@H]23)[C@@H]1C#N 195503127 DDUMOHTYVYQIDE-RZTSEPGWSA-N 238.334 3.134 30 1 BGEF C=C1C(=O)O[C@@]23C=C(C)CCC[C@@]2(C)CC[C@@H]13 35032765 UXTXADQJTURZKJ-AEGPPILISA-N 232.323 3.385 30 1 BGEF C[C@H](C(=O)c1ccccc1)[n+]1cccc(Cl)c1 36382688 HMIBWQSXLUWWLB-LLVKDONJSA-N 246.717 3.071 30 1 BGEF Cc1ccc2c(c1)[C@H](C)CC1=CC(=O)CCN12 13813836 JYYMPZBJCNUICS-LLVKDONJSA-N 227.307 3.165 30 1 BGEF CC(=O)[C@@H]1CC[C@H]2[C@@H](CCC3=CC(=O)CC[C@H]32)C1 17285100 FZBFFQIUPYHEAP-GUYJKWIASA-N 246.350 3.307 30 1 BGEF CCC#CC#C/C=C/COCCC(C)C 238778846 LKZQIVWWONRZTQ-MDZDMXLPSA-N 204.313 3.022 30 1 BGEF C#CCN1CCC[C@H](/C=C/c2ccc(F)cc2)C1 1857580773 JFTOKOVDFAZOKE-LLYBFZRZSA-N 243.325 3.184 30 1 BGEF C/N=C(\S)C1(c2cccnc2)CCCCC1 13651043 VJJQGPQAUBVDNP-UHFFFAOYSA-N 234.368 3.242 30 1 BGEF CCC(=N\O)/C(C)=C/c1cnccc1C 49036776 NPOACGRQDAGNON-ZZZNDOSKSA-N 204.273 3.034 30 1 BGEF C=C(C)[C@H]1CC[C@]2(C)CC[C@@H](O)[C@]2(C(C)=O)C1 100780388 YALFFHSIVPCNLF-GBJTYRQASA-N 236.355 3.099 30 1 BGEF endogenous,in-man C/C1=C/CC(C)(C)/C=C\C(=O)/C(C)=C\[C@H](O)C1 169370456 NBVYFPSAUFQMAK-NISZDNJTSA-N 234.339 3.185 30 1 BGEF C=C(C)[C@@H]1CC[C@H](C)[C@]23CC[C@](C)(O)[C@@]2(C1)O3 1857759058 LBPYAJYJFQGBOQ-XPABHHOTSA-N 236.355 3.051 30 1 BGEF C=C1[C@@H]2CCC(C)=CCCC(C)=C[C@H]2O[C@H]1O 2356584228 XOQBPGQAAARDLU-RRFJBIMHSA-N 234.339 3.343 30 1 BGEF CC[C@]12C=CC3=C(C)C(=O)CC[C@H]3[C@@H]1CC[C@@H]2O 29474422 AMHRBYOHIWXPJX-VRKREXBASA-N 246.350 3.019 30 1 BGEF C#CC#CC[C@H]1O[C@@H]1CCCCCCC 85722174 CRSUKNCTBDUAQP-ZIAGYGMSSA-N 204.313 3.141 30 1 BGEF endogenous,in-man C=C1CC[C@@H]2[C@@H](C)CC[C@@H]3C(=C)C(=O)O[C@H]3[C@H]12 2356545202 ODEYWUTXOUYPGX-CWTILBNLSA-N 232.323 3.097 30 1 BGEF C[C@@H]1CC=CC2=CC(=O)[C@@H]3[C@@H](C3(C)C)[C@@]21C 2356561603 BVLHCTFFMIUHGN-BXKLLYQPSA-N 216.324 3.370 30 1 BGEF O/N=C(\NC1CCCCC1)C1CCCCC1 72101453 OBHOKLYRVHIBSC-UHFFFAOYSA-N 224.348 3.277 30 1 BGEF C=C(C)[C@@H]1CC(=O)[C@H]2CC(=O)C[C@@H](C)[C@@]2(C)C1 85725507 FFYAYKVAOOBUBP-NLRBGTRBSA-N 234.339 3.163 30 1 BGEF in-man C#CC(=O)C=C1CCC[C@@H](CCCCC)O1 2356519228 SODAWQYBFIAKRW-CYBMUJFWSA-N 220.312 3.222 30 1 BGEF CC(NC1CCCCC1)=C1C(=O)C[C@H]2[C@H]1C2(C)C 2356599293 SQBCITVJQZPSFB-SWLSCSKDSA-N 247.382 3.428 30 1 BGEF C=C1CCC[C@]2(C)C=C3OC(=O)[C@H](C)[C@@H]3C[C@@H]12 2356728098 YRYJELNGMLPXRY-OXJKWZBOSA-N 232.323 3.446 30 1 BGEF CC1=CCC[C@]2(C)O[C@H]2CC(C)(C)C=CC1=O 2356733774 UXYYOHOTPOQJPD-ZFWWWQNUSA-N 234.339 3.426 30 1 BGEF CC(C)=C1C[C@]2(C)[C@H](C)CCC(=O)[C@@H]2CC1=O 2356791028 GHXHIYNRINKUAN-IFUGULHKSA-N 234.339 3.307 30 1 BGEF C=C(C)[C@@H]1CC[C@@]2(C)CCC(=O)C(CO)=C2C1 238787035 MGKBQWITEFFDAG-ABAIWWIYSA-N 234.339 3.021 30 1 BGEF C=CCCC(=O)c1coc2cc(C#N)ccc12 587278075 CWCFFPPTERBLGC-UHFFFAOYSA-N 225.247 3.453 30 1 BGEF N#Cc1ccc(-c2c[nH]c(-c3cccnc3)n2)cc1 13553753 ZAMPWUGMBYZMCM-UHFFFAOYSA-N 246.273 3.010 30 1 BGEF C=C1C(=O)O[C@@H]2C3=C(C)CC=C[C@]3(C)CC[C@H]12 2356382060 LOWUURLXSKVQTP-OSAQELSMSA-N 230.307 3.161 30 1 BGEF C=C(CCCCC)CN1CCC[C@@H]1C(C)=O 5782312 XFZPNEAFCLCOJB-CQSZACIVSA-N 223.360 3.176 30 1 BGEF C=C1C(=O)O[C@@H]2CC(=C)[C@@]3(CCC[C@@H]3C)C[C@H]12 238737283 YWGQGEZTRMMMBF-FWHFQCOYSA-N 232.323 3.241 30 1 BGEF biogenic C=C1C(=O)C[C@@H]2[C@@H]1CCC(C)=CCC[C@@]1(C)O[C@H]21 2356624273 UIMHJAOZYISGTJ-RRCSTGOVSA-N 246.350 3.426 30 1 BGEF C=C1C[C@@H]2CC[C@H](C)[C@]23C[C@](C)(C(=O)O)C[C@@H]13 2356721588 JVNVDDIKCOCXJF-JQPXUNLUSA-N 234.339 3.480 30 1 BGEF CC(=O)/C=C(O)\C=C/C=C\C=C/C(C)C 100308061 IRCXTHZTJSCJGT-BLGODASGSA-N 206.285 3.342 30 1 BGEF in-vitro CCCCCCCCN1C(=O)C(C)=C(C)C1=O 103280004 SYUDZVMBTHMMTA-UHFFFAOYSA-N 237.343 3.052 30 1 BGEF C[C@H]1CC[C@@H]2C[C@]3(OC2(C)C)[C@@H](C=O)CC[C@H]13 238741288 RWNMAVPZZYEQKJ-BGPZULBFSA-N 236.355 3.195 30 1 BGEF C[C@@H]1C[C@H]1c1[nH]c2cc(F)ccc2c1C#N 587636017 XRYUOYGIOULACR-GMSGAONNSA-N 214.243 3.302 30 1 BGEF CC(C)[C@]12CC[C@H](C)[C@]34CC[C@H](C)[C@]3(O4)[C@H]1O2 2356803256 WWJMBUFCDNYHOS-VMCMIOBHSA-N 236.355 3.148 30 1 BGEF C=C(CC(=O)CC(C)C)[C@H]1CCC(C)=CC1=O 13377312 WNGWJVAIJTYKCV-CQSZACIVSA-N 234.339 3.473 30 1 BGEF biogenic CC(C)=CC(=O)C[C@@H](C)[C@H]1C=C[C@](C)(O)CC1 14444279 OZDOAMOSJAOPRV-IPYPFGDCSA-N 236.355 3.265 30 1 BGEF endogenous,in-man C=C(C)[C@H]1CC(=O)[C@H]2CC(=O)C[C@H](C)[C@]2(C)C1 100778778 FFYAYKVAOOBUBP-MEDZGJRSSA-N 234.339 3.163 30 1 BGEF endogenous,in-man C=C1CC[C@H]2[C@H](C)C(=O)O[C@H]2[C@H]2C(C)=CC[C@@H]12 15264494 GAXXKXAIPLVKGB-HTVCTNPSSA-N 232.323 3.097 30 1 BGEF C=C1C[C@H](c2cccc3ccccc23)OC1=O 40424588 OKQCKEQAGLSRAF-CQSZACIVSA-N 224.259 3.384 30 1 BGEF CC[C@]12CCC3=C(C)C(=O)CC[C@@H]3[C@@H]1CC[C@@H]2O 100804956 ZGWSYIQVEGMGSR-SDADXPQNSA-N 248.366 3.243 30 1 BGEF C=C[C@@]1(C)C[C@H]2OC(=O)[C@@H](C)[C@H]2C[C@@H]1C(=C)C 238753409 HHMGIPSZHRMYCD-BGPZULBFSA-N 234.339 3.343 30 1 BGEF CC=C(C)[C@H]1SC(=O)C(C)=C(O)[C@H]1C 2356416273 OAVVXAWSFUKBGM-GMSGAONNSA-N 212.314 3.063 30 1 BGEF C=CCCCC[C@@H](O)C=CC#CC=CC 2356504107 FDFGZMGALLFLNJ-CQSZACIVSA-N 204.313 3.229 30 1 BGEF CC1=CC2=C(CC(C)(C)C2=O)[C@@H](C)CCC1=O 2356559896 PFDJAISCVCEYSA-VIFPVBQESA-N 232.323 3.227 30 1 BGEF CCON/C=N/c1cccc(Cl)c1Cl 5859391 DHGMJVYHGASHQH-UHFFFAOYSA-N 233.098 3.194 30 1 BGEF C=C1C(=O)O[C@@H]2C[C@H](C)[C@@H]3CCC(C)=C3C[C@@H]12 15264525 TWKDGRNXUQUNGU-DTCNJJKHSA-N 232.323 3.241 30 1 BGEF biogenic C=C1CC[C@@H]2[C@H](OC(=O)[C@@H]2C)[C@H]2C(=C)CC[C@@H]12 39187123 UJADCNYXDHHISU-QMVSFRDZSA-N 232.323 3.097 30 1 BGEF C[C@H]1CC[C@]2(C)[C@H](C=O)[C@H]3[C@H]4CC[C@@]12[C@]43C 238773447 HUSMGHRPGAFFHG-JWIBTAJGSA-N 218.340 3.284 30 1 BGEF Cc1cccc2nc(C#Cc3ccccc3)[nH]c12 587953775 TUQRLOBZEXYTKF-UHFFFAOYSA-N 232.286 3.271 30 1 BGEF C#Cc1cccc(/N=C/c2ccccc2O)c1 1857594885 BLFFXMXAFIPMHY-LFIBNONCSA-N 221.259 3.124 30 1 BGEF CC1=CC(=O)[C@@H]2[C@@H]3[C@H](C(C)C)CC[C@@]2(C)[C@@H]13 101674673 CTFSUCDHRVDRKG-PMTDCRIQSA-N 218.340 3.450 30 1 BGEF C=C(C)[C@H]1CC[C@@]2(C)CO[C@]3(C)C=CO[C@]23C1 238759182 QZRSTGGOMXWMDX-BYNSBNAKSA-N 234.339 3.441 30 1 BGEF N#Cc1ccc2c(C(=O)c3ccco3)coc2c1 587277749 FTKUFPUUEUKXAY-UHFFFAOYSA-N 237.214 3.128 30 1 BGEF C=C(C=C[C@H](CC[C@H](C)O)C(C)C)CCCO 2356466500 ILTLDBNFZKICNW-LSDHHAIUSA-N 240.387 3.305 30 1 BGEF CC1=C/C(=N/CCCC(=O)O)CC(C)(C)C1 103195640 VHHKAMMFHOSQJC-KAMYIIQDSA-N 223.316 3.059 30 1 BGEF C#CCCCCN1C=CN(C(C)(C)C)/C1=C\N=O 210945047 PPLOTTZPXVXAEU-SEYXRHQNSA-N 247.342 3.243 30 1 BGEF C=CC[C@@](C)(N)c1nc2ccc(SC)cc2[nH]1 587258055 WNLBTGJYIJAGPF-CYBMUJFWSA-N 247.367 3.035 30 1 BGEF C=C1CCC=C(CO)C(=O)C[C@@H]2[C@H]1C[C@@]2(C)CC 2356331595 KWCWLVHJYZEJAQ-SQWLQELKSA-N 248.366 3.267 30 1 BGEF C[C@@H]1CC[C@H]2[C@@H]1[C@@H]1[C@H](CC[C@@]23CO3)C1(C)C 4521160 XPGWKKLDFXNBPJ-VDVLUQLZSA-N 220.356 3.484 30 1 BGEF in-man CC[C@H]1C[C@@H]2[C@H]3CCC(=O)C=C3CC[C@@]2(C)[C@@H]1O 29483752 ABTDALAHKLLQIZ-BVEJOUGXSA-N 248.366 3.099 30 1 BGEF C=C(C)[C@@H]1CC[C@@]2(C1)[C@H]1CO[C@@]2(C)CC(=O)C1 104371906 YHIWYGHFGRMQMO-RJZRQDKASA-N 234.339 3.117 30 1 BGEF endogenous,in-man CC1=CC[C@@H]2[C@@H](CC2(C)C)[C@@](C)(O)CCC1=O 2356805807 ZXYYADHSLPAWGV-JMSVASOKSA-N 236.355 3.099 30 1 BGEF O=C(C1=Cc2ccccc2OC1)c1ccccc1 28524534 RPNVGPKVOCUXMX-UHFFFAOYSA-N 236.270 3.345 30 1 BGEF C=C(C)[C@@H]1CC(=O)c2ccccc2S1 40862985 IKPBEMCZMZIRSW-LBPRGKRZSA-N 204.294 3.310 30 1 BGEF CC(C)(C)C(=O)C/C=N/OCc1ccccc1 138637302 PAQDGSOACPWIKF-XNTDXEJSSA-N 233.311 3.194 30 1 BGEF C=C1CC[C@H]2[C@@H](C)C(=O)O[C@H]2[C@@H]2C(C)=CC[C@H]12 238734575 GAXXKXAIPLVKGB-RKQHYHRCSA-N 232.323 3.097 30 1 BGEF C=C(C)[C@@H]1CC[C@@]2(C)C[C@H](O)C(=O)C(C)=C2C1 238786961 JQVYRXJDFBMIFN-ZLDLUXBVSA-N 234.339 3.019 30 1 BGEF C[C@@H]1C[C@H]1c1[nH]c2cccc(F)c2c1C#N 587635277 JIVAVROGDGWVCO-HTQZYQBOSA-N 214.243 3.302 30 1 BGEF C=C1CC[C@@H]2CC[C@H](CO)[C@@]23C[C@H]1C3(C)C 2356469731 YLWPFKYITUSRND-RGCMKSIDSA-N 220.356 3.387 30 1 BGEF C=C[C@]1(C)CC[C@@H]2C(=C)C(=O)O[C@H]2[C@H]1C(=C)C 2356742198 ZNTHTBBAGNVESR-RGCMKSIDSA-N 232.323 3.263 30 1 BGEF C/C1=C\CC[C@@]2(C)O[C@H]2CC(C)(C)/C=C/C1=O 100089868 UXYYOHOTPOQJPD-QNKGIFIZSA-N 234.339 3.426 30 1 BGEF in-vitro C=CCc1cc(OC)ccc1OCCC 103287523 MYLHDTVPIBYRAT-UHFFFAOYSA-N 206.285 3.213 30 1 BGEF C=C(C)C1=C[C@H](O)[C@H](C)[C@@H]2CCC(C)=C[C@@H]12 2356463881 PWXZKALLXDXZPK-OSRDXIQISA-N 218.340 3.472 30 1 BGEF CCCCC(=O)OCC[C@@H](S)CCC 14589060 VMHWVDZUYLYJAJ-JTQLQIEISA-N 218.362 3.208 30 1 BGEF endogenous,in-man CCCCCCCCCC[C@@]1(C(=O)OC)CO1 36338588 UWRGACHEUZLLER-AWEZNQCLSA-N 242.359 3.459 30 1 BGEF C=C[C@@]1(C)C[C@@H]2OC(=O)C(=C)[C@H]2C[C@@H]1C(=C)C 238777699 IFASGTOWHLMHEZ-CXTNEJHOSA-N 232.323 3.263 30 1 BGEF Cc1c(C(C)(C)C=O)nc2cccc3c2c1CC3 587212762 CMNXVCNOXZMNHM-UHFFFAOYSA-N 239.318 3.118 30 1 BGEF C=C1[C@H]2CC[C@H]([C@]1(C)C1CCCC1)[C@]2(O)OC 2356357333 RXBHTDILEZJYGJ-APIJFGDWSA-N 236.355 3.114 30 1 BGEF C#CCN1CCC(CCc2ccccc2F)CC1 1857539713 SEKTXLRXIDOBGX-UHFFFAOYSA-N 245.341 3.104 30 1 BGEF CC1(C)C=CC[C@]2(C)O[C@@H]2CC[C@@]2(C)O[C@@H]2C1 2356415729 UFBUQKAQYQDEOE-RJZRQDKASA-N 236.355 3.458 30 1 BGEF C[C@H]1CC[C@@H]2[C@@H]1[C@@H]1[C@H](CC[C@@]23CO3)C1(C)C 4521159 XPGWKKLDFXNBPJ-PLXWNWTRSA-N 220.356 3.484 30 1 BGEF in-man CCN(CC)CC#CCc1ccc(Cl)cc1 29209483 KKNXSBMBIFGURJ-UHFFFAOYSA-N 235.758 3.228 30 1 BGEF C=C1CCC[C@H]2Cc3occ(C)c3C(=O)[C@H]12 33832273 HFUWQFBDHSXQNU-CMPLNLGQSA-N 216.280 3.299 30 1 BGEF biogenic,in-vitro C=C1CCC[C@@]2(C)C[C@H]3OC(=O)[C@H](C)[C@H]3C[C@H]12 43743259 YYJRTJYCOMIDIC-HVNMYJMUSA-N 234.339 3.321 30 1 BGEF O=C(C/C=N/c1cccc(O)c1)c1ccccc1 139841501 NHZKHZWUYNAYCL-MHWRWJLKSA-N 239.274 3.368 30 1 BGEF CC1=C2OCC[C@]2(C)[C@H]2CC(C)(C)C=C2C1=O 1857641056 IWCUKSMMOSRCHQ-XHDPSFHLSA-N 232.323 3.242 30 1 BGEF C=C1CC[C@]2(O)C(=C)CC[C@@H]3[C@H]([C@H]12)C3(C)C 13372833 HSEADIKPAODSBI-COMQUAJESA-N 218.340 3.306 30 1 BGEF biogenic CC(C)(C)[C@@H]1CC(=NO)C[C@@H](C(C)(C)C)N1 103221654 VMDPFHYVISWISZ-QWRGUYRKSA-N 226.364 3.029 30 1 BGEF CC(C)=CC(=O)/C=C(\C)c1ccc(C(=O)O)cc1 136689061 YDSABZMFSRCMEP-PKNBQFBNSA-N 244.290 3.323 30 1 BGEF CC[C@@H](C)c1[nH]c2cc([N+](=O)[O-])ccc2c1C#N 587646916 MYJCJWUKJPIVEA-MRVPVSSYSA-N 243.266 3.461 30 1 BGEF CC1=C(c2ccccc2)SCCC1=O 3095025 VJUXLIWKBDPYSU-UHFFFAOYSA-N 204.294 3.124 30 1 BGEF biogenic C=C1CCC[C@]2(C)C[C@@]3(O)OCC(C)=C3C[C@H]12 2356411637 VIBKDXLGWZVQRC-BPLDGKMQSA-N 234.339 3.178 30 1 BGEF CC(=O)C=CC[C@@]1(C)C2C[C@H]3[C@@H](C2)C31C 2356420706 KMYVNUFAXPKQDY-NSTUHTFISA-N 204.313 3.204 30 1 BGEF CC(C)=CC(=O)[C@H](O)[C@H](C)CC1=CC=CCC1 13415654 ZKNLFTOBEMGDRP-IUODEOHRSA-N 234.339 3.185 30 1 BGEF endogenous,in-man CC[C@H]1C[C@H]2[C@H]3CCC(=O)C=C3CC[C@@]2(C)[C@@H]1O 29483755 ABTDALAHKLLQIZ-ORDIRQJYSA-N 248.366 3.099 30 1 BGEF C[C@@H](CC[C@H]1OC1(C)C)c1cc(O)ccc1O 95575543 YKRCIZARYFFKRT-TVQRCGJNSA-N 236.311 3.159 30 1 BGEF C[C@@H]1CC=CC2=C(O)C(=O)[C@@H]3[C@@H](C3(C)C)[C@@]21C 2356325030 VRXRXQBGHXYMBN-RLCDCCMLSA-N 232.323 3.256 30 1 BGEF C=C1CC[C@H](O)C[C@@H]1[C@]1(C)O[C@@H]1CC=C(C)C 2356524036 NKCBUMYAPXFQEQ-XQLPTFJDSA-N 236.355 3.217 30 1 BGEF C=C[C@@](C)(O)CCC=C(C)CC=CC(C)(C)O 2356576334 WPGYCMWKXXCJMW-OAHLLOKOSA-N 238.371 3.367 30 1 BGEF C=C(C)[C@H]1CC(=O)C2=CC(=O)C[C@H](C)[C@]2(C)C1 15200823 CEDQTRQWBOXWOT-PGUXBMHVSA-N 232.323 3.083 30 1 BGEF endogenous,in-man C=CCN1c2ccncc2Sc2ncccc21 1857745782 SZCBCGLCCPUWOW-UHFFFAOYSA-N 241.319 3.265 30 1 BGEF C=C(C)[C@@H]1CC[C@@H]2C(=O)O[C@@H]3C[C@H](C)[C@H](C1)[C@H]23 2356708482 RDYUBCVSUYWYDA-JAYDOHCTSA-N 234.339 3.176 30 1 BGEF N#Cc1ccc2c(c1)CCC(c1cccnc1)=C2 40976975 XVEPMZGBTHRPOR-UHFFFAOYSA-N 232.286 3.440 30 1 BGEF C/C1=C\CC[C@@]2(C)O[C@@H]2CC(C)(C)/C=C/C1=O 101165019 UXYYOHOTPOQJPD-OEPOZYLCSA-N 234.339 3.426 30 1 BGEF biogenic,in-vitro CCO/C=C\C#Cc1cc(Cl)ccc1OC 587901154 YVAGNEPMDWVJTO-UITAMQMPSA-N 236.698 3.250 30 1 BGEF C=C[C@]1(C)CC[C@H]([C@@](C)(O)CC=CC(=C)C)O1 2356638769 PUIJLDUDGLGOIA-KFWWJZLASA-N 236.355 3.384 30 1 BGEF CC(C)=CCC=C(C)[C@@H]1C[C@@H](O)C(C)=CC1=O 2356769320 BFOSUQZIPYHFHA-UONOGXRCSA-N 234.339 3.185 30 1 BGEF C=C[C@](C)(O)C[C@H](O)C=C(C)CCC=C(C)C 2356772740 HOXSQOXCKUSHHO-CABCVRRESA-N 238.371 3.367 30 1 BGEF C=C[C@@](C)(O)CC=CC(C)=CC(=O)C=C(C)C 2356551224 VJTLYZMVAHGVGD-OAHLLOKOSA-N 234.339 3.351 30 1 BGEF Nc1cc2c(cc1Cl)-c1ccccc1C2=NO 254014252 UTXFRNHNEFAKFV-UHFFFAOYSA-N 244.681 3.129 30 3 BGEF C=C(C)[C@@H]1C[C@@H](O)[C@H](C)c2cc(O)c(C)cc21 138177178 OOQATJJYWGXKAO-JRPNMDOOSA-N 232.323 3.228 30 1 BGEF CC1(C)OC(C)(C)/C(=C/Nc2ccccc2)C1=O 968520 JOPRLBICQSSFEI-ZRDIBKRKSA-N 245.322 3.139 30 3 BGEF C=CC[C@H]1C(=O)CC2(C)CC(=O)[C@H](CC=C)C12C 1619630 RJZMMPOEPPYYEM-RBAVJSINSA-N 246.350 3.329 30 1 BGEF CC1=C2C=C(C(C)C)CC[C@]2(C)[C@@H](O)CC1=O 14452344 VYOQFQGGSXEVCX-GJZGRUSLSA-N 234.339 3.019 30 1 BGEF biogenic CC(=O)CCC[C@@H](C)[C@H]1CCC(C)=CC1=O 14614547 XLPCKRSTCQYWCT-DGCLKSJQSA-N 222.328 3.307 30 1 BGEF biogenic C=C1C(=O)O[C@@H]2[C@@H]1CC[C@H](C)[C@@H]1CCC(=C)[C@@H]12 2356545206 ODEYWUTXOUYPGX-WBKHQIRZSA-N 232.323 3.097 30 1 BGEF C=C1C(=O)O[C@@H]2CC(=C)[C@@H]3CC=C(C)[C@@H]3C[C@H]12 40873775 KREYKRAJLBRHAZ-IGQOVBAYSA-N 230.307 3.017 30 1 BGEF biogenic C=C[C@@H](C)C[C@@]1(C)SC(O)=C(C)C1=O 101036967 ATJXHWPZFVEADB-RDDDGLTNSA-N 212.314 3.063 30 1 BGEF C/C=C/C=C\C#C/C=C\C=C/CCCO 222875638 DVVCIYWIFHPFME-GEXZYJCXSA-N 202.297 3.007 30 1 BGEF C=CCCCCCCCc1cc(O)cc(=O)o1 263614868 XLSXODSZWDBYLP-UHFFFAOYSA-N 236.311 3.415 30 1 BGEF in-vitro C=C(CN(C)C)c1nc2cc(Cl)cc(C)c2[nH]1 587190288 JIQVKTQYTMWKMA-UHFFFAOYSA-N 249.745 3.100 30 1 BGEF ONC=C(C=Nc1ccccc1)c1ccccc1 2356308711 PWPPWHZLMGMNFJ-UHFFFAOYSA-N 238.290 3.409 30 1 BGEF C=C1CC[C@H]2[C@@H]3[C@@H]1[C@@]2(C)CC[C@H]3C(C)(C)O 104373000 FVPQQGXKOCOMAU-OKWIKPQFSA-N 220.356 3.386 30 1 BGEF in-man C#CCN1CCC(/C=C/c2cccc(F)c2)CC1 1857557988 NWGHDZJPSJYPKW-VOTSOKGWSA-N 243.325 3.184 30 1 BGEF CC1=C2OCC[C@]2(C)[C@@H]2CC(C)(C)C=C2C1=O 2356334526 IWCUKSMMOSRCHQ-IAQYHMDHSA-N 232.323 3.242 30 1 BGEF CC1=CC(=O)C[C@H](C)[C@@]12CC[C@@H](C(C)(C)O)C2 14509785 SOAQZZHFSCGPCD-YWPYICTPSA-N 236.355 3.099 30 1 BGEF biogenic C=C1CC[C@H]2C(C)(C)CCC[C@]23C(=O)OC[C@H]13 15148157 SDYJYMBMSYYZIC-TYNCELHUSA-N 234.339 3.322 30 1 BGEF C=C(C)[C@@H]1CC[C@@]2(C)CC[C@@H](O)[C@@]3(C)O[C@@]23C1 15206922 AXKKANUAFIGTQI-QMIVOQANSA-N 236.355 3.051 30 1 BGEF endogenous,in-man Cc1[nH]c2ccc(F)c(Cl)c2c1C#N 587630811 QDGWWOJPNWDUFX-UHFFFAOYSA-N 208.623 3.141 30 1 BGEF C=C1C[C@]2(O)O[C@]3(CC2=C(C)C)[C@@H](C)CC[C@H]13 33805083 DEBDFZGNZTYPMF-MXYBEHONSA-N 234.339 3.177 30 1 BGEF in-man C=C(C)[C@H]1CC2=C(C)C(=O)CC[C@@]2(C)C[C@H]1O 56874353 JJQLZXVYTGKGNA-DFBGVHRSSA-N 234.339 3.019 30 1 BGEF in-vitro C=C[C@@](C)(O)C[C@@H]1C=C(C)[C@@H](CC=C(C)C)O1 238754151 QNHVMLXVTOJGNW-RRFJBIMHSA-N 236.355 3.384 30 1 BGEF Cc1sc2c(c1C)CCN[C@@]2(C)C[C@H](C)C#N 963020969 ISPHVMWBPNOTPP-XPTSAGLGSA-N 248.395 3.276 30 1 BGEF C=C(C)[C@@H]1CC[C@@H]2OC(=O)C(=C(C)C)C[C@@H]21 2356396426 KPBVZIKVRNUVCQ-UHTWSYAYSA-N 220.312 3.241 30 1 BGEF C=C(C)[C@@H]1CC[C@]2(C)[C@H]3CC[C@](C)(O)[C@H]2[C@@H]31 104373024 DGXZNOOUXAHVAE-UJOWSUJOSA-N 220.356 3.386 30 1 BGEF in-man CC1=CCC[C@@]2(C)O[C@@H]2CC(C)(C)C=CC1=O 299808820 UXYYOHOTPOQJPD-UKRRQHHQSA-N 234.339 3.426 30 1 BGEF CC1=CC[C@]23O[C@@]2(CC(C)=CCC1)OC(=O)[C@H]3C 2356425846 LFCPWXRIGILHCC-BPLDGKMQSA-N 248.322 3.111 30 1 BGEF Cn1cccc1-c1[nH]c2cc(F)ccc2c1C#N 587636157 SHTJYCAFAQPSSE-UHFFFAOYSA-N 239.253 3.184 30 1 BGEF C=C(C)C=Cc1ccc2c(C(=O)O)c[nH]c2c1 2356756687 DGRQZYNJXNNHBY-UHFFFAOYSA-N 227.263 3.455 30 1 BGEF C=CCN1[C@@H](C)c2ccccc2C[C@H]1C 28247364 DAYJPDHSHGZODO-NEPJUHHUSA-N 201.313 3.180 30 1 BGEF CCCCC[C@@]1(C)SC(O)=C(C)C1=O 101034957 RWXHVXPDUSVHSB-LLVKDONJSA-N 214.330 3.431 30 1 BGEF CC1=CC2=C(CC(C)(C)C2=O)[C@@H](C)CC[C@@H]1O 2356643588 XWJRORQTJORDHX-ZANVPECISA-N 234.339 3.019 30 1 BGEF C=C[C@@H](C=C(C)COC(=O)CC)C(=C)C 2356649676 UYACSVLHQPEITQ-LBPRGKRZSA-N 208.301 3.264 30 1 BGEF C=C1C(=O)O[C@@H]2[C@@H]1CC[C@@]1(C)CCC=C(C)[C@H]21 15207266 UHODXTMZSDNATP-RGCMKSIDSA-N 232.323 3.241 30 1 BGEF biogenic C#C[C@@H]1CCCc2nc3cccc4c3c(c21)CC4 587216031 YQTIVMBIDONSNX-LLVKDONJSA-N 233.314 3.387 30 1 BGEF C=CCN(CC#CC1=CCCCC1)CC1CC1 203471617 JDIRZBAPWZOVPZ-UHFFFAOYSA-N 229.367 3.388 30 3 BGEF CC1=C2C(=O)[C@@](O)(C(C)C)CC[C@@]2(C)CCC1 15208349 ZANHXCFRKGGJIZ-CABCVRRESA-N 236.355 3.243 30 1 BGEF biogenic C/C=C\C#CC#C/C=C/C=C\CCCCCO 217828025 YAJHFXRUFPTBLG-MUEMXHCKSA-N 228.335 3.234 30 1 BGEF C/C=C\C#CC#C/C=C/C=C\CCCCC=O 221253866 NDAPUMLRLFELHL-MUEMXHCKSA-N 226.319 3.441 30 1 BGEF C=C(C)[C@]1(O)CC[C@@]2(C)[C@@H]1[C@@H]1[C@@H](C)CC[C@H]12 2356420191 RGLMWRGFUDRTOD-MZHQWRCYSA-N 220.356 3.386 30 1 BGEF C=CCN1[C@@H](C)Cc2ccccc2[C@@H]1C 28247370 DAYJPDHSHGZODO-RYUDHWBXSA-N 201.313 3.180 30 1 BGEF C=C[C@]1(C)CC[C@@H]2C(=C)C(=O)O[C@@H]2[C@@H]1C(=C)C 2356742199 ZNTHTBBAGNVESR-UKTARXLSSA-N 232.323 3.263 30 1 BGEF C=C1CCC[C@@]2(C)C[C@@H]3OC(=O)[C@@H](C)[C@@H]3C[C@H]12 15207256 YYJRTJYCOMIDIC-AIUMHDJVSA-N 234.339 3.321 30 1 BGEF endogenous,in-man C=C[C@@](C)(O)CC[C@H]1C(C)=CC[C@@H](C)[C@@]1(C)O 166569920 KBYUKRPGFMWKGT-LXTVHRRPSA-N 238.371 3.057 30 1 BGEF C=C[C@]1(C)CC[C@@H](C(=C)C)[C@H]2OC(=O)C(=C)[C@H]21 39170604 GFCPRZFJQAXOJG-KYEXWDHISA-N 232.323 3.263 30 1 BGEF CC(C)(C)/N=C1\C(=O)[C@]2(C)CC[C@@H]1C2(C)C 102931765 SFXLZDUFGRLXCV-MYCDNTEESA-N 221.344 3.251 30 1 BGEF C=CC(C)=C[C@]1(CC)SC(O)=C(C)C1=O 2356703946 BOMAALMZZQMZOS-LBPRGKRZSA-N 224.325 3.373 30 1 BGEF C=CCCC[C@]1(C)SC(=O)C(C)=C1O 13678476 IUTIQBKSTUBRJP-NSHDSACASA-N 212.314 3.207 30 1 BGEF C=C[C@]1(C)CC[C@@H](C(C)(C)O)C[C@@H]1C(C)(C)O 15150223 KCUBNAQHLWZMCB-LALPHHSUSA-N 240.387 3.137 30 1 BGEF biogenic C=C(C)[C@]1(O)CC[C@]2(C)CCC[C@](C)(O)[C@@H]2C1 238734983 FPODEVIVZNBUMT-QPSCCSFWSA-N 238.371 3.035 30 1 BGEF CC1=CC(=O)c2c(C)cc(C(=O)C(C)C)cc21 238789001 NQSMGFCLRGGBTL-UHFFFAOYSA-N 228.291 3.433 30 1 BGEF C#Cc1cccc(-c2nc3ccc(F)cc3[nH]2)c1 586879551 HGHXRVJHGOKDEO-UHFFFAOYSA-N 236.249 3.350 30 1 BGEF C=C(C)[C@H](CC[C@H](C)O)CC1=C(C)CCC1=O 14694273 YTYICJAIECLVEQ-QWHCGFSZSA-N 236.355 3.409 30 1 BGEF biogenic C#CC(=O)/C=C1\CCC[C@H](CCCCC)O1 205200381 SODAWQYBFIAKRW-UQRISPGASA-N 220.312 3.222 30 1 BGEF C/C=C\C#CC#C/C=C/[C@H](O)CCCCC 263638787 XAXGSDODPMRMAE-CRTDIQIVSA-N 216.324 3.067 30 1 BGEF C=CC(C)=C[C@H]1OC[C@]2(C)CCC(=O)C(C)=C12 2356620342 NYCIXAIPHCQNDD-HIFRSBDPSA-N 232.323 3.203 30 1 BGEF Cc1ccc(-c2cc[nH]c3ncc(C#N)c2-3)cc1 1239479814 WLWLJICVBJTDSS-UHFFFAOYSA-N 233.274 3.362 30 1 BGEF C#CC#CCC=CCCCCCC(C)=O 2356565890 OUTVNYVJKIBGGD-UHFFFAOYSA-N 202.297 3.109 30 1 BGEF CCC=C(C)C1=C(C)C(=O)[C@@H](C)[C@@H](C)O1 2356670644 XNIRJJUVFFMFPY-GXSJLCMTSA-N 208.301 3.241 30 1 BGEF C=C1[C@@H](O)C[C@H]2C[C@]3(C)CCC(C)(C)[C@@H]3[C@@H]12 40863919 RFAPNNWDJJWBPE-CXOVXGEYSA-N 220.356 3.386 30 1 BGEF C=C1C(=O)C[C@H]2[C@@]3(C)CC[C@H]4[C@H](C4(C)C)[C@]123 103563876 ILQBQVXJORSQDH-LOISDPQCSA-N 216.324 3.204 30 1 BGEF biogenic,in-vitro Cc1coc2c1C[C@@]1(C)[C@H](C=CC(=O)[C@@H]1C)C2 136705996 KLBNCPFQVXNPFQ-FIXISWKDSA-N 230.307 3.084 30 1 BGEF CC1=CCC(C)(C)C=CC[C@@]2(CO)O[C@@H]2CC1 2356418760 VUTIDMDYYQYLMZ-HIFRSBDPSA-N 236.355 3.219 30 1 BGEF C=C(C(=O)O)[C@H]1CCc2c(C)ccc(C)c2C1 2356529567 LLQLOPCXEALFFD-LBPRGKRZSA-N 230.307 3.049 30 1 BGEF C=C[C@@]1(C)Cc2occc2C(=O)[C@H]1C(=C)C 2356417245 VWMGCBJDKSYUER-OCCSQVGLSA-N 216.280 3.403 30 1 BGEF CC(C)=CCC[C@H](C)[C@@H]1CC(=O)C(C)=C[C@H]1O 2356449022 YDCNFZXDPQSPKG-CORIIIEPSA-N 236.355 3.265 30 1 BGEF CCCCC1=CC(=O)c2ccccc2C1=O 5820065 BAYPRHOLHCTNNC-UHFFFAOYSA-N 214.264 3.182 30 1 BGEF C=C1CCC[C@@]2(C)C[C@@H]3OC(=O)[C@H](C)[C@@H]3C[C@H]12 15207254 YYJRTJYCOMIDIC-JYKNGBAOSA-N 234.339 3.321 30 1 BGEF endogenous,in-man Cc1cccc(C#Cc2ccccc2Cl)n1 28882800 GFSPITZTVJNUPB-UHFFFAOYSA-N 227.694 3.443 30 1 BGEF O/N=C/c1ccc(-c2ccc(O)cc2)cc1F 40380418 MTXLTZQHMBVGGI-OVCLIPMQSA-N 231.226 3.006 30 1 BGEF C=C[C@@](C)(O)CCC[C@@](C)(O)CC=CC(=C)C 2356700659 DKXVALLHXIQEOG-CABCVRRESA-N 238.371 3.367 30 1 BGEF CC1=CC[C@@](C)([C@@]2(C)CC[C@@H](O)[C@@]23CO3)CC1 238743195 SEHFSVXLEPQZRQ-TUVASFSCSA-N 236.355 3.053 30 1 BGEF C=C1C(=O)O[C@@H]2C[C@]3(C)CCC[C@H](C)[C@@H]3C[C@H]12 2356501667 JXQAFXNUAFUSQA-IYBIKKAESA-N 234.339 3.321 30 1 BGEF CC[C@@H](C)/N=C(\C)C1=C(O)CC(C)(C)CC1=O 4665137 PRDYWCJLZACELT-BNXJGPFFSA-N 237.343 3.447 30 1 BGEF C=C(CCOC)CC[C@@H]1CCCCC(=C)[C@H]1O 5922659 MNXKOOGIOKCMAM-LSDHHAIUSA-N 238.371 3.467 30 1 BGEF C=C(CCCO)[C@H]1CC(C)(C)[C@H]1CCC(C)=O 14508577 MAIZBVUEICRYMG-KGLIPLIRSA-N 238.371 3.347 30 1 BGEF biogenic C=C1CC=C[C@]2(C)C[C@@H]3OC(=O)C(C)=C3C[C@H]12 15208029 JQICWKRTHOPTEO-VNHYZAJKSA-N 230.307 3.161 30 1 BGEF biogenic CO/N=C\Cc1ccc(OCC=C(C)C)cc1 34521782 CCXXKTIUTYWLRV-GDNBJRDFSA-N 233.311 3.206 30 1 BGEF O=C(/C=C/c1cc(F)ccc1O)c1ccccc1 197251455 YRIDUUDVFKLIDD-SOFGYWHQSA-N 242.249 3.427 30 1 BGEF C#Cc1cccc(-c2nc3c(C)nc(C)cc3[nH]2)c1 586881006 RHSATROYJHQOFB-UHFFFAOYSA-N 247.301 3.223 30 1 BGEF CCCCCCCc1cc(OC)c(C)c(=O)o1 2356799284 UGIIJPUDPLJRGP-UHFFFAOYSA-N 238.327 3.470 30 1 BGEF CC[C@H]1C[C@@H]2[C@@H]3CCC(=O)C=C3CC[C@@]2(C)[C@@H]1O 29483746 ABTDALAHKLLQIZ-JMDOCYRQSA-N 248.366 3.099 30 1 BGEF CC1(C)/C(=N\CCCC(=O)O)[C@]2(C)CC[C@H]1C2 103193946 AAUDBCJOIMDPGU-VJBZWKFCSA-N 237.343 3.138 30 1 BGEF Cc1ccc(C(=O)/C=C\Nc2cc(C)on2)cc1 104706229 CDMPUYQIBIDDKH-FPLPWBNLSA-N 242.278 3.100 30 1 BGEF C=C(C)/C=C/[C@@H](CCC(=O)OC)C(C)C 219589594 ILAHHKIQUIDZFP-SYTKJHMZSA-N 210.317 3.344 30 1 BGEF CC(C)=CCC[C@@H](C)C1=CC(=O)C(C)=C(O)C1=O 17730051 HNRKPBAGNHFUNQ-SNVBAGLBSA-N 248.322 3.279 30 1 BGEF C[C@H]1CC(=O)C2=C1C[C@H](C(C)(C)O)CC[C@@H]2C 14454455 CKROUOLVUCKMJT-GARJFASQSA-N 236.355 3.099 30 1 BGEF C=CCCCC/C=C\C=C/C#CC#C/C=C\CO 205431916 VNZGFKQARLEAQK-RBTKNRQISA-N 240.346 3.401 30 1 BGEF C=CCO[C@@H]1Cc2c1nc1cccc3c1c2CC3 587212798 CSIVWUVUVLNILL-CQSZACIVSA-N 237.302 3.133 30 1 BGEF C=C1C(=O)O[C@@H]2CC(=C)[C@@H]3CC=C(C)[C@H]3C[C@@H]12 5757655 KREYKRAJLBRHAZ-RFQIPJPRSA-N 230.307 3.017 30 1 BGEF biogenic CC(C)=CCC[C@H](C)C1=CC(=O)C(C)=C(O)C1=O 106522480 HNRKPBAGNHFUNQ-JTQLQIEISA-N 248.322 3.279 30 1 BGEF C#CCN(C)CC(=C)c1ccc(Cl)c(C)c1 299844603 JWRSACIMNOMWGZ-UHFFFAOYSA-N 233.742 3.227 30 1 BGEF C=C1CC[C@H](C(C)(C)O)/C=C/[C@@H](C)CCC1=O 14453285 RJCCYTWCDOEWGM-UCYCBVHCSA-N 236.355 3.265 30 1 BGEF biogenic,in-vitro C=C1CCC[C@]2(C)CC[C@H]3[C@H](C)C(=O)O[C@@H]3[C@@H]12 34624197 VVFHGZOZXJXSNR-DKBOKBLXSA-N 234.339 3.321 30 1 BGEF O=Cc1ccc(C#C/C=C/c2ccco2)s1 238731537 KPHSAOBSOKJLEL-DAFODLJHSA-N 228.272 3.219 30 1 BGEF O=C(C=Cc1ccco1)c1ccc([N+](=O)[O-])cc1 1857622477 IHVZZXXTLZVZKT-UHFFFAOYSA-N 243.218 3.084 30 1 BGEF CC1=C2OCC[C@@]2(C)[C@H]2CC(C)(C)C=C2C1=O 2356334527 IWCUKSMMOSRCHQ-NHYWBVRUSA-N 232.323 3.242 30 1 BGEF C=C[C@]1(C)CCC2=C(C)C(=O)O[C@H]2[C@H]1C(=C)C 15150134 GXRBKDQCWNWEHB-UMVBOHGHSA-N 232.323 3.407 30 1 BGEF biogenic CC(C)=CC(=O)[C@@H](O)[C@@H](C)CC1=CC=CCC1 100825821 ZKNLFTOBEMGDRP-WFASDCNBSA-N 234.339 3.185 30 1 BGEF endogenous,in-man C=CC(C)(C)c1nc2c(Cl)ccnc2[nH]1 587954102 CHYAMMIOLIUFIP-UHFFFAOYSA-N 221.691 3.075 30 1 BGEF C=C1[C@H]2CC(C)(C)C[C@H]3C[C@@]3(C)[C@@H]2C[C@H]1O 238786365 RQNUKTXYMSOBCN-KMCWBVRRSA-N 220.356 3.386 30 1 BGEF CC(C)=C1CC[C@H](C)[C@H]2CC(=O)C(C)=C2C1=O 238789736 JQVILCNVZIJJEO-JOYOIKCWSA-N 232.323 3.227 30 1 BGEF C=C(C)[C@H]1CC[C@@]2(C)[C@H]3CC[C@](C)(O)[C@H]2[C@@H]13 257404784 DGXZNOOUXAHVAE-XZBVAUNFSA-N 220.356 3.386 30 1 BGEF endogenous,in-man C=C1C(=O)O[C@@H]2[C@H]1CC[C@@]1(C)CCCC(=C)[C@@H]21 15207363 XUYAKPXYKQEFPD-RMRHIDDWSA-N 232.323 3.241 30 1 BGEF [N-]=[N+]=Nc1cc([C@H]2C[C@H]3CC[C@@H]2N3)cnc1Cl 29552820 IXNFUEZUMBBRKA-HLTSFMKQSA-N 249.705 3.285 30 1 BGEF CC1=CC(=O)[C@H]2C(C)(C)CCC[C@]2(C)[C@H]1C=O 49072103 VBPAVCXYWPAVHG-CORIIIEPSA-N 234.339 3.163 30 1 BGEF C=C[C@]12N[C@@H](Cc3ccccc31)c1ccccc12 100649115 SNKVNNXKZIUUHR-IRXDYDNUSA-N 233.314 3.317 30 1 BGEF CC1=C2C(=O)[C@H](C(C)C)CC[C@]2(C)[C@@H](O)CC1 14452628 SZNXJUGSSOHWJM-SLEUVZQESA-N 236.355 3.099 30 1 BGEF endogenous,in-man C[C@H](O)c1ccc(C#Cc2cccs2)s1 14593516 MURPWTGWPABHFJ-VIFPVBQESA-N 234.345 3.263 30 1 BGEF biogenic CCCCCCCC(=O)CC(=O)SC 56871189 XDBMSNZLRJWHDK-UHFFFAOYSA-N 216.346 3.196 30 1 BGEF O=C1C=CC[C@H](CC(=O)C=Cc2ccccc2)C1 2356535669 GTXPMYGNBFUUES-AWEZNQCLSA-N 240.302 3.194 30 1 BGEF CC(C)=CCCC(C)=C[C@H]1C(=O)C(C)=C[C@@H]1O 2356736695 IRYFKBHIOJHFLA-KGLIPLIRSA-N 234.339 3.185 30 1 BGEF C=CCC(C)(C)c1nc2c(C)ccnc2[nH]1 587954133 FCQQIALSYHBFHY-UHFFFAOYSA-N 215.300 3.120 30 1 BGEF CC1=CC(=O)C[C@H](C)C=C[C@@H](C(C)(C)O)CC1 2356325216 NRZAKJLNYYCGMN-DGCLKSJQSA-N 236.355 3.265 30 1 BGEF C=C(C)[C@@H]1CCc2ccc(OC)c3c2[C@@H]1OC3=O 2356502171 ZWXLATVUKXJMGZ-IINYFYTJSA-N 244.290 3.045 30 1 BGEF C=C1CCC[C@]2(C)CC[C@@H](C(C)(C)O)C[C@]12O 15208573 XLVSKPCUSVQGDB-YUELXQCFSA-N 238.371 3.035 30 1 BGEF biogenic N#Cc1ccc(-c2ccc3oc(=O)ccc3c2)cc1 72123087 JBCWQDMKFTUORP-UHFFFAOYSA-N 247.253 3.332 30 1 BGEF C[C@@H](C#N)c1cccc(-c2nc3cnccc3[nH]2)c1 587189206 ZPMDFELQENEMDH-JTQLQIEISA-N 248.289 3.252 30 1 BGEF C[C@@H]1C[C@H]1c1[nH]c2cccc([N+](=O)[O-])c2c1C#N 587647147 RVIKHXBXECHHNI-HTQZYQBOSA-N 241.250 3.071 30 1 BGEF O=C1C(=C2CCCC2)CC[C@@H]1CN1CCCCC1 5566882 QVSNCCYKBYDTNO-CQSZACIVSA-N 247.382 3.322 30 1 BGEF O=C(O)[C@@H](CS)Cc1cccc2ccccc12 26949578 PMSBXRREYWJGBP-GFCCVEGCSA-N 246.331 3.013 30 1 BGEF CCCN=C(C)c1cc2ccccc2oc1=O 2356322205 FZVWYMCYFBIELG-UHFFFAOYSA-N 229.279 3.012 30 1 BGEF CC1=C2C[C@@H](C(C)(C)O)CC[C@]2(C)C=CC1=O 14452369 LANJJAPTVZVEFL-XHDPSFHLSA-N 234.339 3.019 30 1 BGEF biogenic C/C=C\C#CC#C/C=C\[C@H](O)CCCCC 14638978 XAXGSDODPMRMAE-JHTOOCLBSA-N 216.324 3.067 30 1 BGEF CCC/N=C1/CCc2c1n(C)c1ccccc21 27712540 UWFCBSLNRTZVLB-SSZFMOIBSA-N 226.323 3.324 30 1 BGEF C#C[C@@H]1CC[C@@]2(C)CCC(=O)[C@@H](C)[C@@H]2C1 40379007 WTYDEGOHGCWBJP-OPDFLTKYSA-N 204.313 3.041 30 1 BGEF C=C1CCC(=O)[C@]2(C)CC[C@H](C(C)C)C[C@@]12O 2356688562 FBFPIPZUUNYSEA-AEGPPILISA-N 236.355 3.099 30 1 BGEF CCC/N=C(\C)C1=C(O)c2ccccc2C1=O 18128811 IWNFOEHYOKZPJV-OQLLNIDSSA-N 229.279 3.023 30 1 BGEF CC[C@@]12CCC3=C(C)C(=O)CC[C@@H]3[C@@H]1CC[C@@H]2O 29483137 ZGWSYIQVEGMGSR-DARAHFNDSA-N 248.366 3.243 30 1 BGEF C=C1CC[C@@H]2[C@@H]3[C@@H](C(C)(C)O)CC[C@@]2(C)[C@H]13 100782053 FVPQQGXKOCOMAU-GGAZOKNXSA-N 220.356 3.386 30 1 BGEF endogenous,in-man COc1cccc(/C=C2\CCCCC2=O)c1OC 141981835 AUXIGVLJWCYUCM-ZHACJKMWSA-N 246.306 3.230 30 1 BGEF N#Cc1c(C2CC2)[nH]c2cccc(F)c12 587635513 MURTXDSMPQLCHI-UHFFFAOYSA-N 200.216 3.056 30 1 BGEF Cc1cc(-c2[nH]c3cccc(F)c3c2C#N)no1 587637223 XZWIHVRXDPWAPB-UHFFFAOYSA-N 241.225 3.142 30 1 BGEF CC(C)=CCC[C@@H](C)C1=CC(=O)C(C)=CC1=O 13377431 PLQATQBVXDUDIC-LLVKDONJSA-N 232.323 3.393 30 1 BGEF biogenic C=C(C)[C@H]1CC[C@]2(C)CC[C@H](O)[C@@]3(C)O[C@@]23C1 85757120 AXKKANUAFIGTQI-AHDPXTMNSA-N 236.355 3.051 30 1 BGEF in-man C=C[C@@]12N[C@H](Cc3ccccc31)c1ccccc12 100649114 SNKVNNXKZIUUHR-IAGOWNOFSA-N 233.314 3.317 30 1 BGEF C=CCC(C)(C)c1nc2cccc(C#N)c2[nH]1 587954434 UYSGAVZDTWBPSI-UHFFFAOYSA-N 225.295 3.288 30 1 BGEF C=C1O[C@@H]2C[C@]3(C)CCCC(=C)[C@@]3(O)C[C@H]2C1=C 2356484633 BRGBGTWCHCTWLY-FZKCQIBNSA-N 246.350 3.343 30 1 BGEF C=C[C@@H]1CC[C@]2(C)C=CC(=O)[C@H](C)[C@H]2C1 2356630248 HXGVTBIULNLCHU-HKUMRIAESA-N 204.313 3.370 30 1 BGEF C=C(C)C=Cc1ccc2[nH]cc(CCO)c2c1 2356717586 BJEPNPZEOVTCFL-UHFFFAOYSA-N 227.307 3.292 30 1 BGEF CC(=O)C=C(O)C=CC=CC=CC(C)C 2356618195 IRCXTHZTJSCJGT-UHFFFAOYSA-N 206.285 3.342 30 1 BGEF CC1=CC2=C(CC(C)(C)C2=O)[C@H](C)CC[C@H]1O 2356643586 XWJRORQTJORDHX-NOZJJQNGSA-N 234.339 3.019 30 1 BGEF CC1=C2C(=O)[C@@H](C(C)C)CC[C@]2(C)[C@@H](O)CC1 14452629 SZNXJUGSSOHWJM-TYNCELHUSA-N 236.355 3.099 30 1 BGEF endogenous,in-man [N-]=[N+]=Nc1cc([C@H]2C[C@@H]3CC[C@@H]2N3)cnc1Cl 100008848 IXNFUEZUMBBRKA-YIZRAAEISA-N 249.705 3.285 30 1 BGEF C=C1CC[C@@H]2[C@@H]3[C@@H]1OC(=O)[C@H](C)[C@@H]3CC[C@H]2C 146120645 QCZOKYUBABLGDD-VUASIYQVSA-N 234.339 3.176 30 1 BGEF Cc1cc2c(cc1O)[C@H](C)CC[C@@H]1O[C@]1(C)C2 1857595088 OXPCNWFHEWMIKF-TURNYIBQSA-N 232.323 3.298 30 1 BGEF CCCCC#COP(=O)(OCC)OCC 1629812 SRHMQOZWLWWSEC-UHFFFAOYSA-N 234.232 3.335 30 1 BGEF CC#CC#CC/C=C\CCCCCC(C)=O 14639209 BDBWGZIOILAGFU-HJWRWDBZSA-N 216.324 3.499 30 1 BGEF C=C(C)CCOC(=O)NC1CCCCC1 59895182 UKDWQYZBYACSCJ-UHFFFAOYSA-N 211.305 3.012 30 1 BGEF C=C1CC[C@@]23C[C@@H]1C(C)(C)[C@@H]2C[C@@H](O)[C@H]3C 85509248 BNZDSKXXGFTBJE-JYKNGBAOSA-N 220.356 3.386 30 1 BGEF biogenic,in-vitro CC(C)(C)/N=C1\C(=O)[C@]2(C)CC[C@H]1C2(C)C 102931763 SFXLZDUFGRLXCV-PLPNALBXSA-N 221.344 3.251 30 1 BGEF CC(C)/N=C1\C=CC=CC\C1=N/C(C)C 263621192 WTKTZDHSCKRTLA-QUMQEAAQSA-N 204.317 3.201 30 1 BGEF in-vitro CC1=C(c2ccccc2)C(=O)C(C)(C)CC1=O 61924463 RAAJNBUOXKQEEC-UHFFFAOYSA-N 228.291 3.028 30 3 BGEF C=CCCCCCC#CC#C/C=C\C(C)=O 14639206 LMIRVCYQPKWKAS-YPKPFQOOSA-N 214.308 3.275 30 1 BGEF C[C@H]1CC[C@@H]2C[C@]3(OC2(C)C)[C@@H](C=O)CC[C@@H]13 70455623 RWNMAVPZZYEQKJ-PFFFPCNUSA-N 236.355 3.195 30 1 BGEF biogenic,in-vitro C/C(=N/O)c1sc(-c2ccccc2)nc1C 100067322 MQISPQROQJHEJE-ZROIWOOFSA-N 232.308 3.317 30 1 BGEF CC1=CC[C@@]2(C)C(=C(C)C(=O)[C@@H](O)[C@H]2C)CC1 137550809 FUPXAIKSURJKNB-BYCMXARLSA-N 234.339 3.019 30 1 BGEF C=CCc1cccc2nc([C@](C)(O)C(C)C)[nH]c12 586886090 DPULTQORYQXPDK-OAHLLOKOSA-N 244.338 3.155 30 1 BGEF CC1(C)CC(=O)C(SC(F)(F)F)=C(O)C1 88034 TYQMDUQEEGLJCS-UHFFFAOYSA-N 240.246 3.398 30 1 BGEF biogenic C=C(C)CC[C@H]1CC=[N+]([O-])O[C@@H]1C(C)(C)C 1861563 WSJCZVUMXFMQAW-RYUDHWBXSA-N 225.332 3.290 30 1 BGEF CC(C)C(=O)c1coc2cc(C#N)ccc12 587279473 VSSKITRNSKSANW-UHFFFAOYSA-N 213.236 3.143 30 1 BGEF CC1(C)CCC[C@@H]2O[C@H]2CCC(C)(C)C1=O 1646803 LTVIPBUWHMQWRE-QWRGUYRKSA-N 224.344 3.339 30 1 BGEF CC1=C2C(=O)[C@@H](C(C)C)CC[C@@]2(C)[C@@H](O)CC1 14452627 SZNXJUGSSOHWJM-XUJVJEKNSA-N 236.355 3.099 30 1 BGEF endogenous,in-man O=C1C(=Cc2cccs2)Oc2ccccc21 1857623252 ISQISRDFDBUCKK-UHFFFAOYSA-N 228.272 3.364 30 1 BGEF CC1=CCC(C)(C)C=CC[C@@]2(CO)O[C@H]2CC1 2356418762 VUTIDMDYYQYLMZ-ZFWWWQNUSA-N 236.355 3.219 30 1 BGEF C=C1C(=O)O[C@@]23C[C@H]1CC[C@]2(C)CCC=C3C 2356408261 ZDPHCVCMWYMVCB-VHDGCEQUSA-N 232.323 3.385 30 1 BGEF C=CCCCCCCCC=C[C@@H](O)[C@@H](C)N 2356442387 AKXWKMQPINMKAE-ZIAGYGMSSA-N 225.376 3.167 30 1 BGEF Cc1ccc(C2=NOC(=O)[C@@H]3CCCC[C@@H]23)cc1 5822810 QNBVEHSARSTNSS-CHWSQXEVSA-N 243.306 3.062 30 1 BGEF C/C1=C\CC/C(C(=O)O)=C/CC(C)(C)/C=C\C1=O 103565376 BPPXABXKJZPLPR-IKFYNVEJSA-N 248.322 3.279 30 1 BGEF biogenic,in-vitro C=C(C(=O)O)[C@@H]1CCC[C@H]2CCC(C)=C[C@H]21 225107639 LZMOBPWDHUQTKL-RWMBFGLXSA-N 220.312 3.400 30 1 BGEF C/C1=C/C(C)(C)/C=C\C(=O)[C@@H](C)CCCC1=O 238784174 NFDDZSDTJCSOCJ-CWKVYUPLSA-N 234.339 3.473 30 1 BGEF CC(C)=CCCC(C)=C1CC(=O)C(C)=C[C@@H]1O 2356522466 IJJMGKKVCJEOHH-HNNXBMFYSA-N 234.339 3.329 30 1 BGEF C=C1C(=O)O[C@@H]2CC(=C)[C@@H]3CCC(=C)[C@H]3C[C@@H]12 15264970 IKRIZEKDIQYHTL-RFQIPJPRSA-N 230.307 3.017 30 1 BGEF biogenic O=C(/C=C/c1ccccc1F)c1ccc[nH]1 1772622662 PWVROMLXCZFXEC-BQYQJAHWSA-N 215.227 3.050 30 1 BGEF C=C[C@@]1(O)CCCC=C1COCc1ccccc1 3596955 KQSBIFMFCXOBHN-MRXNPFEDSA-N 244.334 3.231 30 1 BGEF CC1=CCC(C)(C)C=CC[C@]2(CO)O[C@@H]2CC1 2356418761 VUTIDMDYYQYLMZ-UKRRQHHQSA-N 236.355 3.219 30 1 BGEF C=CCCCCC=CC#CC#CC=CC#CC=O 2356427107 OOPQEDWCAKFMEU-UHFFFAOYSA-N 236.314 3.054 30 1 BGEF C=C1CC[C@H]2[C@H](OC(=O)[C@@H]2C)[C@@]12CCC[C@@H]2C 38417949 FWJPCLZINCBAEK-UHNMOKONSA-N 234.339 3.321 30 1 BGEF N#CCC[C@@H]1[C@H](C#N)[C@H]2C[C@H]1[C@@H]1[C@H]3C=C[C@@H](C3)[C@@H]21 299815152 DDUMOHTYVYQIDE-IYPABJCDSA-N 238.334 3.134 30 1 BGEF CCCCC/C=C1\CC[C@H](CN(C)C)C1=O 1631993 QUGSOUOTWFTUPI-YQCJOKCJSA-N 223.360 3.034 30 1 BGEF CC[C@@]12CCC(=O)C(C)=C1c1ccc(O)cc1C2 34633772 HDCICPRPCFHBGD-INIZCTEOSA-N 242.318 3.481 30 1 BGEF N#Cc1ccc2c(c1)CCc1cc(C#N)ccc1N2 169330432 WMWJILNBJYTCKI-UHFFFAOYSA-N 245.285 3.272 30 1 BGEF C=C1C=C[C@@H](C(C)C)CC(=O)[C@@]2(C=CC1)CO2 2356452504 SMKHYNZVNGXTPW-UKRRQHHQSA-N 232.323 3.059 30 1 BGEF C=C1Cc2occ(C)c2C(=O)C[C@H](C)C[C@H]2O[C@@H]12 13456533 DHQZOOQNUWHCML-ZXCZTKLOSA-N 246.306 3.067 30 1 BGEF biogenic CCCCc1ccc(N(C)/C=N/O)c(C)c1 26816997 UGFBGIUUOZPRCX-GXDHUFHOSA-N 220.316 3.191 30 1 BGEF C[C@@H]1CCCC2=CC(=O)[C@]3(C[C@]21C)OC3(C)C 15200753 STRDNIOHABKLGY-ONERCXAPSA-N 234.339 3.260 30 1 BGEF biogenic C/C=C/C(C)=C/[C@@]1(C)SC(=O)C(C)=C1O 53160904 FVTQYHVYLPKMOX-SJFBBLFCSA-N 224.325 3.373 30 1 BGEF in-vivo C=C1CC[C@@]2(O)C(=C)CC[C@@H]3[C@H]([C@H]12)C3(C)C 238761608 HSEADIKPAODSBI-QVHKTLOISA-N 218.340 3.306 30 1 BGEF C=C[C@](C)(O)CC[C@H]1C(=C)C(=O)C=CC1(C)C 14491151 ZDSWZDUWGQSTNA-WFASDCNBSA-N 234.339 3.041 30 1 BGEF biogenic C=C[C@]1(C)CC[C@H](C(=C)C)[C@H]2OC(=O)C(=C)[C@@H]21 15150201 GFCPRZFJQAXOJG-QVHKTLOISA-N 232.323 3.263 30 1 BGEF biogenic C/C(=C\c1ccc2ccccc2c1)C(=O)N(C)O 27656736 RFWYMZZGCRBEEN-PKNBQFBNSA-N 241.290 3.091 30 1 BGEF C[C@H]1CCCC2=CC(=O)[C@H](C(C)(C)O)C[C@@]21C 95912844 LMUKBFXUVUGBAF-JVLSTEMRSA-N 236.355 3.099 30 1 BGEF biogenic,in-vitro CCC1=C2CC[C@@]3(C)[C@@H](CC[C@H]3O)[C@@H]2CCC1=O 203920900 DOTDLCMVUVGSDP-CLWVCHIJSA-N 248.366 3.243 30 1 BGEF C/C1=C\CC/C(CO)=C/CC(C)(C)/C=C\C1=O 215221546 IZKAIJSKFKIFNZ-IRODLGABSA-N 234.339 3.187 30 1 BGEF C/C1=C/[C@H](O)C(C)(C)CCC[C@@]2(C)O[C@H]2CC1 238740553 UGEZIAGFRNUQOR-SBELRUCJSA-N 238.371 3.441 30 1 BGEF CC1=C[C@H](O)C(C)(C)CCC[C@]2(C)O[C@@H]2CC1 2356575609 UGEZIAGFRNUQOR-GUTXKFCHSA-N 238.371 3.441 30 1 BGEF C=C1CC[C@@H]2[C@H]3[C@@H]1[C@@]2(C)CC[C@H]3C(C)(C)O 100782046 FVPQQGXKOCOMAU-VVSAWPALSA-N 220.356 3.386 30 1 BGEF endogenous,in-man CC(C=CC1=C(C)C(=O)CCC1(C)C)=CCO 2356459869 BVUBYYWRFBEIET-UHFFFAOYSA-N 234.339 3.187 30 1 BGEF C=C(C(C)=O)[C@H](O)c1ccc2ccccc2c1 8860541 PONBQNYVIMSJPO-HNNXBMFYSA-N 226.275 3.018 30 1 BGEF C=C1C(=O)O[C@H]2[C@@H]1CC[C@@]1(C)CCCC(=C)[C@H]21 105369224 XUYAKPXYKQEFPD-GUIRCDHDSA-N 232.323 3.241 30 1 BGEF C=C[C@@](C)(O)CC/C=C(\C)CC/C=C(/C)CO 198803420 YXIFOKDKHGSQOB-SVXHRKKWSA-N 238.371 3.369 30 1 BGEF C[C@@H]1CC[C@@H]2[C@@H]1[C@@H]1[C@H](C[C@H]3O[C@]32C)C1(C)C 2356662780 GLKQAHXBJLGAFT-ZCHNKJLFSA-N 220.356 3.482 30 1 BGEF CS/C(S)=N/N=C/c1c[nH]c2ccccc12 8684842 MQILUGFUDMJLIX-NTUHNPAUSA-N 249.364 3.151 30 1 BGEF C=C1C(=O)O[C@@H]2CC3=CCC[C@H](C)[C@]3(C)C[C@@H]12 15200647 JCQHNWRLZMISTB-WTKQLKIWSA-N 232.323 3.241 30 1 BGEF biogenic CCS/C(=N\CC(C)C)N1CCC(C)CC1 20190944 DMRIUPRJXJEBQW-YPKPFQOOSA-N 242.432 3.483 30 1 BGEF CC1=C2CC[C@]3(C)[C@@H](C[C@H](C)[C@H]3O)[C@H]2CCC1=O 29482705 MQUWOZCDCNPFTM-SUMAQBCMSA-N 248.366 3.099 30 1 BGEF N#Cc1ccc2c(c1)CCC/C2=C/c1cnc[nH]1 100377606 AEBLXEQBDHHLKP-QPEQYQDCSA-N 235.290 3.158 30 1 BGEF CC(C)(C)C1=CC(=O)C([C@H]2C=CCCC2)=CC1=O 102071111 IICTVKAADZJYHP-NSHDSACASA-N 244.334 3.393 30 1 BGEF CC(C)=CCC/C(C)=C\[C@H]1C(=O)C(C)=C[C@@H]1O 5964490 IRYFKBHIOJHFLA-ZOAGNIGNSA-N 234.339 3.185 30 1 BGEF CCS/C(=N/c1cccc(Cl)c1)NC 28333956 FGKUAZCPPGXHRF-UHFFFAOYSA-N 228.748 3.300 30 1 BGEF C=C(CC/C=C(\C)CO)[C@H]1CC[C@@](C)(O)[C@H]1C 238780347 HGGIETPLSCSCRB-UJHGIOAMSA-N 238.371 3.059 30 1 BGEF N#Cc1c(-c2ccc[nH]2)[nH]c2cc(F)ccc12 587637114 VJSGXKAWBBUZDL-UHFFFAOYSA-N 225.226 3.174 30 1 BGEF C=C1CC=C[C@]2(C)C[C@@H]3OC(=O)C(C)=C3C[C@@H]12 15208031 JQICWKRTHOPTEO-KCQAQPDRSA-N 230.307 3.161 30 1 BGEF biogenic,in-vitro C=C1CC[C@@H]2[C@@H]([C@@H]3[C@@H]1CC[C@@]3(C)O)C2(C)C 100780053 FRMCCTDTYSRUBE-DGMCESFYSA-N 220.356 3.386 30 1 BGEF endogenous,in-man C#CC=CC[C@@H]1CC[C@H](CCC#C)[C@H]2CCCN12 2356775646 OKKDNJLUTGCCGP-GVDBMIGSSA-N 241.378 3.222 30 1 BGEF C=C(CC/C=C(/C)CO)[C@H]1CC[C@@](C)(O)CC1 255201160 BWQLMOGBKVQMOL-QDPHKQGLSA-N 238.371 3.203 30 1 BGEF Fc1cc(F)cc(/C=N/Oc2ccccc2)c1 13610915 PBFWUNGGBKDJFH-CXUHLZMHSA-N 233.217 3.378 30 1 BGEF CC(C)=CCC[C@@]1(C)OCC2=CC(=O)C[C@H]21 28824366 HZAPFZZROKLYFD-ZIAGYGMSSA-N 220.312 3.037 30 1 BGEF C=C[C@](C)(O)C=CC=C(C)[C@H](O)CC=C(C)C 2356784666 PPMNAEJKJPXLIR-CABCVRRESA-N 236.355 3.143 30 1 BGEF CC1=C(O)C(=O)c2c(C)ccc3c(C)cnc1c23 96922550 GSWNGVOZZZCECM-UHFFFAOYSA-N 239.274 3.337 30 1 BGEF C=C1CC[C@H]2[C@@H]1CC[C@@](C)(O)[C@@H]1[C@H]2C1(C)C 238755640 IKBSASPKXOGPLL-NLRWUALESA-N 220.356 3.386 30 1 BGEF COc1ccc(Cl)cc1C#Cc1cccnc1 587910375 XLXCVNRIVIWLNQ-UHFFFAOYSA-N 243.693 3.143 30 1 BGEF N#Cc1cc2ccccn2c2nc3ccccc3c1-2 1772620438 KTYYOPKGRHNARA-UHFFFAOYSA-N 243.269 3.464 30 1 BGEF CCC=C(C)C1=C(C)C(=O)[C@@H](C)[C@H](C)O1 2356670647 XNIRJJUVFFMFPY-ONGXEEELSA-N 208.301 3.241 30 1 BGEF C=C1c2cc(O)c(C)cc2[C@H](C(C)C)C[C@H]1O 13381387 TZQJUIQPFZWYSD-XHDPSFHLSA-N 232.323 3.218 30 1 BGEF biogenic C=C1[C@](C)(c2ccc(C)cc2)CC[C@@]1(C)O 40380251 UHJIWFBFNKJFEK-HUUCEWRRSA-N 216.324 3.354 30 1 BGEF CC1=C2CC[C@]3(C)[C@@H](O)[C@H](C)C[C@@H]3[C@@H]2CCC1=O 169369318 MQUWOZCDCNPFTM-CEMKBHKYSA-N 248.366 3.099 30 1 BGEF C=C1CC[C@H]2C[C@H]3[C@@H]1CC[C@@]31C[C@@]21CC(=O)OC 2356444222 OVHHBPJWMKEJNA-ABNPOPBRSA-N 246.350 3.322 30 1 BGEF CC(C)C1=CC2=C(C(=O)C[C@]2(C)O)[C@@H](C)CC1 2356794352 LCQMNDUQIYLJLG-BONVTDFDSA-N 234.339 3.019 30 1 BGEF C/C1=C/CC2=C(C/C(C)=C\CC1)C(=O)C=CC2=O 169298231 IYBUBJTWRYPRSI-ODASSNHZSA-N 242.318 3.458 30 1 BGEF CCCCC/C=C\CC#CC#C/C=C\CO 14638971 LQTQHFYCEDKVEJ-ZBXVJARNSA-N 216.324 3.068 30 1 BGEF Cc1ccc(/C=C2/C(=O)c3ccncc3[C@@H]2C)o1 34507160 FMELDHMCOAMSPH-SRMXYGTFSA-N 239.274 3.366 30 1 BGEF biogenic,in-vitro CC1(C)/C=C/C[C@@]2(C)O[C@H]2CC[C@]2(C)O[C@@H]2C1 231216478 UFBUQKAQYQDEOE-PGLGPCPZSA-N 236.355 3.458 30 1 BGEF C[C@@H]1CCCC2=CC(=O)C(C(C)(C)O)=C[C@]21C 14450484 WXPKUEOZWGDJJE-BMIGLBTASA-N 234.339 3.019 30 1 BGEF biogenic C[C@H]1CCC[C@@H]2CC(=O)C(C(C)(C)O)=C[C@]12C 33833282 LYFRYUAWUBLCKH-FIXISWKDSA-N 236.355 3.099 30 1 BGEF biogenic,in-man CCC#CC#CCCCOCCC(C)C 238742487 GTGUOHSUVINDHQ-UHFFFAOYSA-N 206.329 3.246 30 1 BGEF C=CCCCC/C=C/C#CC#C/C=C/C#CC=O 238756416 OOPQEDWCAKFMEU-SCCLZRITSA-N 236.314 3.054 30 1 BGEF C=CC(=O)c1coc2ccc(Cl)cc12 587276825 WSTWECQRWMNMQB-UHFFFAOYSA-N 206.628 3.455 30 1 BGEF COc1ccc(Cl)cc1C#Cc1ccco1 587912031 CVIJKWLJNZKUMA-UHFFFAOYSA-N 232.666 3.341 30 1 BGEF C=C1CCC=C(CO)C(=O)C[C@@H]2[C@H]1C[C@]2(C)CC 2356331594 KWCWLVHJYZEJAQ-LZWOXQAQSA-N 248.366 3.267 30 1 BGEF C[C@@H]1CC[C@@H]2[C@@H]1[C@@H]1[C@H](C[C@@H]3O[C@]32C)C1(C)C 2356662778 GLKQAHXBJLGAFT-NCYRRLPBSA-N 220.356 3.482 30 1 BGEF C=C(C(C)=O)[C@@H](O)c1ccc2ccccc2c1 8860542 PONBQNYVIMSJPO-OAHLLOKOSA-N 226.275 3.018 30 1 BGEF CC1(C)CCC[C@@]1(C)C1=C[C@](C)(O)C=CC1=O 14454629 IAHVMQAYDBMMQB-CABCVRRESA-N 234.339 3.019 30 1 BGEF biogenic CN/C(=N\c1cccc(F)c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c1ccc(C(=O)O)cc1 2356449028 YDSABZMFSRCMEP-UHFFFAOYSA-N 244.290 3.323 30 1 BGEF C=C1CCC[C@]2(C)C[C@@H]3OC(=O)[C@H](C)[C@@H]3C[C@@H]12 257735702 YYJRTJYCOMIDIC-HYFYGGESSA-N 234.339 3.321 30 1 BGEF endogenous,in-man CC(C)=C[C@H](O)C[C@@H](C)[C@H]1CCC(C)=CC1=O 2356665488 IHIGGYYRDGHFEA-HZSPNIEDSA-N 236.355 3.265 30 1 BGEF N#Cc1ccc2[nH]c(CO)c(-c3ccccc3)c2c1 15935742 HSCRKUKUXOGHOW-UHFFFAOYSA-N 248.285 3.199 30 3 BGEF C=C(C(=O)O)[C@@H]1CC[C@]2(C)CCC(=O)C(C)=C2C1 14451573 RDGFGQJFNSCICW-IAQYHMDHSA-N 248.322 3.113 30 1 BGEF biogenic C=CCN[C@H](C)Cc1ccc(SC)cc1 49014833 QEAUILQRYNKCJK-LLVKDONJSA-N 221.369 3.115 30 1 BGEF in-vivo N#Cc1ccc2nc(-c3occ4c3CCC4)[nH]c2c1 586905430 OGMKJOXYGDYLQA-UHFFFAOYSA-N 249.273 3.183 30 1 BGEF Cc1[nH]c2cc(Cl)c(F)cc2c1CC#N 587630041 DXQWKGKLBAOSBQ-UHFFFAOYSA-N 222.650 3.335 30 1 BGEF C=CCCCC=CCC#CC#C[C@H](O)CC 2356455883 KWLPBQVEAVSPLL-OAHLLOKOSA-N 216.324 3.067 30 1 BGEF CC1=C2C(=O)c3c(C)coc3C(=O)[C@H](C)[C@@H]2CC1 2356679857 JREPATBWOYVYLR-ZJUUUORDSA-N 244.290 3.330 30 1 BGEF C=C1[C@H]2CC[C@@](C=O)([C@H]2OC)[C@]1(C)C1CCCC1 2356734222 YOFAYOYDXJVGLP-FXUDXRNXSA-N 248.366 3.363 30 1 BGEF C=C1CCC(=O)[C@]2(C)C[C@@H]2CC(C)(C)C[C@@H]1O 14444236 UGRCWWGJQJTKAF-SLEUVZQESA-N 236.355 3.099 30 1 BGEF biogenic C=CCC(C)(C)c1nc2cncc(Cl)c2[nH]1 587954226 JJUHQRGDXMFZSP-UHFFFAOYSA-N 235.718 3.465 30 1 BGEF C=C1CCC[C@]2(C)C[C@H]3OC(=O)[C@@H](C)[C@H]3C[C@@H]12 5881436 YYJRTJYCOMIDIC-GGAZOKNXSA-N 234.339 3.321 30 1 BGEF N#Cc1ccc(-c2ccc(-c3ccco3)o2)nc1 59859383 ZCYYAFAVHUFYBO-UHFFFAOYSA-N 236.230 3.473 30 1 BGEF N#Cc1ccccc1-c1ccc2[nH]ncc2c1 82058193 UPRRZFSNUVXMOP-UHFFFAOYSA-N 219.247 3.102 30 1 BGEF Cc1ccc2nc(-c3ccc(C)c(C#N)c3)[nH]c2n1 587187738 JYYIYVUJQLELHP-UHFFFAOYSA-N 248.289 3.113 30 1 BGEF C=C1CCC(=O)[C@@]2(C)Cc3occ(C)c3C[C@@H]12 15160008 AKNPMCISDQNRFC-WFASDCNBSA-N 230.307 3.228 30 1 BGEF endogenous,in-man C=C1C=C[C@H]2C(=C)C(=O)O[C@H]2CC(C)=CCC1 2356635273 YJLBOFKJSVUOID-KBPBESRZSA-N 230.307 3.327 30 1 BGEF CC1(C)C[C@@H]2[C@H]1CC[C@@]1(C)O[C@H]1CC[C@]2(C)O 3171721 KGYCKUADVHYVLM-RKEKIRQTSA-N 238.371 3.131 30 1 BGEF O=C(O)[C@@H](CS)Cc1ccc2ccccc2c1 26956687 DTGOMEJKRLLWSG-CYBMUJFWSA-N 246.331 3.013 30 1 BGEF C=C1[C@@H](O)[C@@]2(C)CC[C@@H]1C[C@H]1[C@H](C)CC[C@H]12 238750080 SYLZYWQELDUCLB-UKHFBKCJSA-N 220.356 3.386 30 1 BGEF CC(C)=CC(=O)C[C@H](C)[C@H]1C=C[C@](C)(O)CC1 14444277 OZDOAMOSJAOPRV-YDHLFZDLSA-N 236.355 3.265 30 1 BGEF endogenous,in-man CC(C)(C)/N=C1/C=C(O)OC12CCCCC2 102729730 MKSNHZRVMVOPJO-UVTDQMKNSA-N 223.316 3.358 30 1 BGEF CC1=CC(=O)c2c(ccc3cc(C)oc23)C1=O 169350648 KTOJRMXHYYQCOH-UHFFFAOYSA-N 226.231 3.067 30 1 BGEF CC1=C2C[C@H](C(C)(C)O)CC[C@@]2(C)C=CC1=O 14452368 LANJJAPTVZVEFL-ABAIWWIYSA-N 234.339 3.019 30 1 BGEF biogenic Nc1cc(S)cc(O)c1/N=C/c1ccccc1 40875356 ZHJMODAVTYPZRG-OVCLIPMQSA-N 244.319 3.014 30 1 BGEF in-vivo C/C=C/C#CCC/C=C/C=C\C(=O)NCC(C)C 204973443 NFFPFDVUIWBNTI-RRJRCZAESA-N 245.366 3.231 30 1 BGEF C=CC(C)=C[C@@]1(C)SC(=O)C(CC)=C1O 2356792599 JXKINNHBIPAUJR-GFCCVEGCSA-N 224.325 3.373 30 1 BGEF C=CCN(c1ccncc1)n1ccc2ccccc21 13745940 HPHYXLXHERUQOH-UHFFFAOYSA-N 249.317 3.492 30 1 BGEF CCCCCCC[C@](N)(C(=O)O)c1ccccc1 43552574 OANXCGVBLKXTCH-OAHLLOKOSA-N 249.354 3.286 30 1 BGEF CC1(C)C[C@@H]2[C@@H]1CC[C@@]1(C)O[C@@H]1CC[C@@]2(C)O 13298583 KGYCKUADVHYVLM-PGKPSXLWSA-N 238.371 3.131 30 1 BGEF CC(C)CC(=O)Oc1ccc([C@H]2O[C@@H]2C)cc1 14504140 XJCYTMWTYJBKQV-YGRLFVJLSA-N 234.295 3.098 30 1 BGEF biogenic CCC(=N\O)/C(C)=C/c1ccc(C)nc1 49112167 TVWAWCGCLHTBJU-MLMLVFRPSA-N 204.273 3.034 30 1 BGEF C=C1C(=O)O[C@@H]2C[C@H](C)[C@@H]3CCC(C)=C3C[C@H]12 238763884 TWKDGRNXUQUNGU-BNQQVVLKSA-N 232.323 3.241 30 1 BGEF C=C1C(=O)O[C@]23C[C@H]1CC[C@@]2(C)CCC=C3C 238784699 ZDPHCVCMWYMVCB-YUELXQCFSA-N 232.323 3.385 30 1 BGEF C=CCCCCCC#CC#C/C=C/C(C)=O 14639204 LMIRVCYQPKWKAS-BUHFOSPRSA-N 214.308 3.275 30 1 BGEF C=C1C=C[C@@H]2C(=C)C(=O)O[C@@H]2CC(C)=CCC1 2356635370 YJLBOFKJSVUOID-ZIAGYGMSSA-N 230.307 3.327 30 1 BGEF C=CCCC[C@@H](O)/C=C/C=C/C#CC#C/C=C/C 238751092 OLWYWTSKMZVTTL-METAOBECSA-N 240.346 3.399 30 1 BGEF CC(C)=C1C[C@]2(C)[C@@H](C)CCC[C@@H]2[C@@H](O)C1=O 238753678 RQNTUHIZYNFVBE-QMGNLALYSA-N 236.355 3.099 30 1 BGEF C=C[C@](C)(O)CCC=C1CO[C@H](C=C(C)C)C1 2356746900 YKZPUSGDQAOOKT-CABCVRRESA-N 236.355 3.385 30 1 BGEF CC(=O)N(O)c1ccc(C2CCCCC2)cc1 27717878 QDZCAEYIGSMUGC-UHFFFAOYSA-N 233.311 3.476 30 1 BGEF CCC[C@H](O)CC(=O)/C=C/c1ccc(C)cc1 1911585216 SDGNEBWPFPEVES-HBWSCVEGSA-N 232.323 3.128 30 1 BGEF CC1=CC(=O)[C@H]([C@](C)(O)CC=CC(C)C)CC1 2356480779 PYNUQQKEADPDEB-UKRRQHHQSA-N 236.355 3.265 30 1 BGEF CC(C)=C1CC[C@@H](C)[C@H]2CC(=O)C(C)=C2C1=O 2356738316 JQVILCNVZIJJEO-BXKDBHETSA-N 232.323 3.227 30 1 BGEF C=C1CC[C@H]2[C@@H]([C@H]3[C@H]1CC[C@]3(C)O)C2(C)C 40891727 FRMCCTDTYSRUBE-AIUMHDJVSA-N 220.356 3.386 30 1 BGEF biogenic,in-vitro CC1=CC(=O)[C@@H]2[C@H]3[C@H](C(C)C)CC[C@@]2(C)[C@H]13 100089716 CTFSUCDHRVDRKG-MQFWEAQZSA-N 218.340 3.450 30 1 BGEF in-vitro CNc1ccc(C#Cc2c(F)cccc2F)cc1 299835376 DSYUMSCJGRJCQG-UHFFFAOYSA-N 243.256 3.406 30 1 BGEF CN(C)c1ccc(NC=CC(=O)C(C)(C)C)cc1 1857622052 VLSZBFXLXHWWLO-UHFFFAOYSA-N 246.354 3.293 30 1 BGEF C#CCCC[C@@H]1CC[C@@H](C)[C@@H]2CCCN21 14616481 ZZXULMJOWKRHSL-MCIONIFRSA-N 205.345 3.053 30 1 BGEF biogenic C=C(C)[C@@H]1CC[C@]2(C1)[C@H](C)CC(=O)C[C@H]2C=O 59065535 RXSSJEZNYYKUBE-CXTNEJHOSA-N 234.339 3.163 30 1 BGEF in-vitro C=CCCCC/C=C\C=C\C#CC#C/C=C/CO 238772061 VNZGFKQARLEAQK-XUVYQMKESA-N 240.346 3.401 30 1 BGEF C#CCN1CCC(/C=C\c2ccccc2F)CC1 1857605853 GDAHGLCNMKPIIM-FPLPWBNLSA-N 243.325 3.184 30 1 BGEF CC=CC#CC#CC=CC=CC=C[C@@H](O)CCC 2356554748 XBPLQOPYICQPRZ-KRWDZBQOSA-N 240.346 3.399 30 1 BGEF CN(C)/C=N/n1c2ccccc2c2ccccc21 6371845 ZMZQESQRPVVTKB-LFIBNONCSA-N 237.306 3.148 30 1 BGEF C=C1C(=O)O[C@@H]2C[C@]3(C)C(=CCC[C@@H]3C)C[C@H]12 238755375 ZZWBELMMAWMJHU-FWHFQCOYSA-N 232.323 3.241 30 1 BGEF CC#Cc1nc2ccc(Br)c(C)c2[nH]1 587953715 PQVHFCXZVYFXKG-UHFFFAOYSA-N 249.111 3.005 30 1 BGEF CC(=CC(=O)O)[C@@H]1CC2=C(C1)C(C)(C)CCC2=O 2356745988 KWLZQMPOIJYXDR-SNVBAGLBSA-N 248.322 3.113 30 1 BGEF Cc1nc(C#Cc2cc(F)cc(F)c2)cs1 13680873 RIXDIVBFRYYMRM-UHFFFAOYSA-N 235.258 3.130 30 1 BGEF in-vivo N#Cc1nc(Cl)cc2nc(C3=CCCC3)[nH]c12 586885946 XVKPJPSQADFGEB-UHFFFAOYSA-N 244.685 3.050 30 1 BGEF C=C1CCC2=C(C)C[C@@H]3OC(=O)[C@H](C)[C@@H]3C[C@@H]12 2356393201 CPKGJHHSPZHSMP-SAXRGWBVSA-N 232.323 3.241 30 1 BGEF CCCCCCCC=CC=C[C@H](O)[C@H](C)N 2356809396 AQNTYHYSJAGMGF-KBPBESRZSA-N 225.376 3.167 30 1 BGEF Cc1ccc(/C(S)=N/c2ccccn2)cc1 4019221 WJEXQGKCDBPLDO-UHFFFAOYSA-N 228.320 3.398 30 1 BGEF CC(=N\c1ccncc1)/C(C)=N/c1ccncc1 13214446 DFELOQNKMKLUIF-JYFOCSDGSA-N 238.294 3.362 30 1 BGEF O=C(/C=C/c1cnc2ccccc2c1)C1CC1 43071537 BNUARCYGDSEHNY-VMPITWQZSA-N 223.275 3.227 30 1 BGEF CCCCCCCc1cc(C)oc(=O)c1 43871873 LSIKORZAEVGGST-UHFFFAOYSA-N 208.301 3.461 30 1 BGEF C=C1C=CC2=C(C)CC[C@@H]3[C@H](OC(=O)[C@@H]3C)[C@@H]12 238740874 MKSPTSRNVKNQMY-SAXRGWBVSA-N 230.307 3.017 30 1 BGEF C/C=C/C=C/C#C/C=C\C=C/CCOC(C)=O 238789305 OWDPPOSRJGPGQY-LWRCOMHGSA-N 230.307 3.188 30 1 BGEF C/C(COc1ccc2ccccc2c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c1ccccc1OC(C)=O 13782107 WYOSUADJFYXYQM-UHFFFAOYSA-N 246.306 3.184 30 1 BGEF C=C(C)[C@@H]1CC[C@]2(C)CCC(=O)[C@H](C)[C@]2(O)C1 17425888 MJAMMXJTWIIYQD-CTHBEMJXSA-N 236.355 3.099 30 1 BGEF C/C1=C/CC[C@@]2(C)O[C@@H]2[C@@H](O)[C@H](C(C)C)CC1 238783342 KLQPHHIQARFSDE-DMYQTDALSA-N 238.371 3.297 30 1 BGEF C=C[C@@H](CC=CCC=CCC)OC(C)=O 2356664063 GIYINLRNLNHSBA-ZDUSSCGKSA-N 208.301 3.407 30 1 BGEF C=C(C)[C@@H]1CC[C@@]2(C)CCC(=O)C(C)=C2[C@@H]1O 73198600 OACKHCQOHPYTKY-GLQYFDAESA-N 234.339 3.019 30 1 BGEF C#CCN1C(=O)c2ccccc2Nc2ccccc21 653780447 FGTQLWWGYPNADS-UHFFFAOYSA-N 248.285 3.024 30 1 BGEF Cc1ccc(/C=C\C(=O)C[C@H](O)CC(C)C)cc1 28572518 HENQHAPJXTXILB-HLRDLLSLSA-N 246.350 3.374 30 1 BGEF CC(C)=CCC[C@@H](C)[C@H]1CC(=O)C(C)=C[C@H]1O 238762089 YDCNFZXDPQSPKG-UXIGCNINSA-N 236.355 3.265 30 1 BGEF CC(=CCO)CC[C@@H]1C(C)=CC(=O)CC1(C)C 2356348732 COCUNEQOWXLCIK-CQSZACIVSA-N 236.355 3.267 30 1 BGEF CC(=O)C=CC[C@@H](C)[C@H]1CCC(C)=CC1=O 2356454225 DBDPAGHPZRJFOC-DGCLKSJQSA-N 220.312 3.083 30 1 BGEF CCC#CCSc1ccccc1OC(C)=O 13782089 YSURFXWLBHUJCR-UHFFFAOYSA-N 234.320 3.117 30 1 BGEF C/C=C\C#CC#CC/C=C\CCCCOC(C)=O 238787720 CHYMZOFPJIPFFY-WXRHCNDASA-N 244.334 3.249 30 1 BGEF C=C1CC([C@H]2NCCc3cccc(Cl)c32)C1 963390601 LHAGGNCBJBFJEX-CQSZACIVSA-N 233.742 3.493 30 1 BGEF CC1=C2C(=O)c3c(C)coc3C[C@]2(C)[C@@H]2C[C@H]12 2356403458 JWUZQAFWZLAXJS-IQMDTDKHSA-N 228.291 3.299 30 1 BGEF C/C1=C\[C@@H](O)C(C)(C)/C=C/C(=O)/C(C)=C/CC1 14454921 PXEHDVGCVODKBI-VUKKCRPLSA-N 234.339 3.185 30 1 BGEF C=C1CC[C@H](C(C)C)/C=C/[C@](C)(O)CC[C@@H]1O 15254357 NSIOXFVMCTYIOU-DUIMAYQASA-N 238.371 3.057 30 1 BGEF C=C1C(=O)O[C@H]2C3=C(C)C=CC3=C(C)CC[C@H]12 15264770 GTSCJRHAZCEOEN-TZMCWYRMSA-N 228.291 3.081 30 1 BGEF biogenic C=CCN1[C@@H](C)Cc2ccccc2[C@H]1C 28247357 DAYJPDHSHGZODO-NWDGAFQWSA-N 201.313 3.180 30 1 BGEF CCC/C=C/[C@@]1(C)SC(=O)C(C)=C1O 101451558 YKLMOTXBCCKOHO-XUIVZRPNSA-N 212.314 3.207 30 1 BGEF C=C(C)[C@@H]1CC2=C(C)C(=O)CC[C@]2(C)C[C@@H]1O 2356662851 JJQLZXVYTGKGNA-TUKIKUTGSA-N 234.339 3.019 30 1 BGEF C=C(C)CC[C@@H]1CC=[N+]([O-])O[C@H]1C(C)(C)C 1861562 WSJCZVUMXFMQAW-VXGBXAGGSA-N 225.332 3.290 30 1 BGEF CC1=C2[C@H](O)[C@@H](C(C)C)CC[C@]2(C)CCC1=O 14452637 RAKDEZGVSLSJSS-KCPJHIHWSA-N 236.355 3.099 30 1 BGEF biogenic O=C1C=C(Nc2nc3ccccc3s2)CCC1 137839239 GFRUZYSHYNUXCU-UHFFFAOYSA-N 244.319 3.345 30 1 BGEF C/C1=C\CC(C)(C)/C=C/C[C@@]2(CO)O[C@@H]2CC1 158058027 VUTIDMDYYQYLMZ-NLWJVXMGSA-N 236.355 3.219 30 1 BGEF C/C1=C/[C@H](O)C(C)(C)CCC[C@]2(C)O[C@H]2CC1 238759880 UGEZIAGFRNUQOR-RGAVQUESSA-N 238.371 3.441 30 1 BGEF N#Cc1ccc2nc(C3=CCCC3)[nH]c2c1 586884598 RGIGOZDDUXQTJN-UHFFFAOYSA-N 209.252 3.002 30 1 BGEF C=C1CCC[C@]2(C)C(=O)C=C(C(C)(C)O)C[C@H]12 2356766216 QDJLGPYYUWPGPQ-DOMZBBRYSA-N 234.339 3.019 30 1 BGEF CC(C)=C1C[C@]2(C)[C@@H](C)CCC(=O)[C@@H]2CC1=O 2356791029 GHXHIYNRINKUAN-ITDIGPHOSA-N 234.339 3.307 30 1 BGEF C=C(CCC=C(C)C)[C@@H]1CC(=O)C(C)=C[C@@H]1O 14444413 OCULPYOOSGFLRB-ZFWWWQNUSA-N 234.339 3.185 30 1 BGEF biogenic C=C(C)[C@@H]1CC[C@@H](C)[C@]2(O)CC(=O)C(C)=C2C1 14454017 ZRPQZLPROFXWRW-IXPVHAAZSA-N 234.339 3.019 30 1 BGEF biogenic CO[C@H](C)c1ccc(O)c(C(=O)C=C(C)C)c1 34146838 HQKJEPPUOGFLNW-SNVBAGLBSA-N 234.295 3.249 30 1 BGEF C=C(C)[C@H]1CC[C@@]2(C)CCCN(C)[C@@H]2C1 95920607 HQXXDILNZLFDML-BFHYXJOUSA-N 207.361 3.463 30 1 BGEF in-vitro C=C1C(=O)O[C@@H]2CC3=CC[C@@H](C)C[C@]3(C)C[C@H]12 238752871 AQPIMJDQWZKEOR-QGMIFYJMSA-N 232.323 3.241 30 1 BGEF CC1=CC(=O)[C@H]2[C@H]3[C@H](C(C)C)CC[C@@]2(C)[C@@H]13 100879864 CTFSUCDHRVDRKG-PSWFKFNGSA-N 218.340 3.450 30 1 BGEF endogenous,in-man CNc1oc(-c2ccc3ccccc3c2)nc1C#N 169345924 RPQYTPVRPUFYBD-UHFFFAOYSA-N 249.273 3.408 30 1 BGEF CCCCCCC=CC=CC[C@@H](O)[C@@H](C)N 2356518420 PPIVUDKXEACPOL-ZIAGYGMSSA-N 225.376 3.167 30 1 BGEF N#Cc1ccc([C@@H]2CCCCc3cncn32)cc1 13820319 IVAZIKNYMMXRJK-HNNXBMFYSA-N 237.306 3.071 30 1 BGEF C=C(C)[C@@]1(O)CC[C@]2(C)[C@H]3CC[C@@H](C)[C@H]3[C@H]12 28974877 RGLMWRGFUDRTOD-DXUDUQDWSA-N 220.356 3.386 30 1 BGEF CC1=C(/C=C/C(C)=C/CO)C(C)(C)CCC1=O 39020141 BVUBYYWRFBEIET-BXROQLSZSA-N 234.339 3.187 30 1 BGEF Fc1ccc(C#Cc2ccc3ccccc3n2)nc1 95592483 ZTTYCEZSAOYCLX-UHFFFAOYSA-N 248.260 3.169 30 1 BGEF CCCCOc1ccc(C(=O)C/C=N/OC)cc1 103153507 PENFLBSVPHLXFF-XNTDXEJSSA-N 249.310 3.071 30 1 BGEF C=C[C@@H](C/C=C\C/C=C\CC)OC(C)=O 166398855 GIYINLRNLNHSBA-JAADEGBJSA-N 208.301 3.407 30 1 BGEF C=C(CC=CC(C)(C)O)[C@@H]1CC[C@@](C)(O)[C@@H]1C 2356614939 OHSXDYRPKNCDOL-VNHYZAJKSA-N 238.371 3.057 30 1 BGEF CC1(C)C[C@@H]2[C@@H]1CC[C@]1(C)O[C@H]1CC[C@@]21CO1 2356648582 ITCVFHPZQFFEGI-CUZKYEQNSA-N 236.355 3.149 30 1 BGEF CCCCCCCCc1noc(CN=O)n1 169713425 WJOSTHVXXBACDZ-UHFFFAOYSA-N 225.292 3.239 30 1 BGEF C=C1CCC(c2coc(/C=C(\C)C(N)=O)c2)CC1 205118748 TWULTRQJGUTHML-YRNVUSSQSA-N 245.322 3.382 30 1 BGEF CC1(C)O[C@@]2(C)CCC=C3C(=O)C=C[C@@H]1[C@]32C 238732693 YYXXGJKFOHXSML-QEJZJMRPSA-N 232.323 3.036 30 1 BGEF C=C(CN(C)C)c1nc2cc(C)c(Cl)cc2[nH]1 587190834 OZLMEHRHNAOXER-UHFFFAOYSA-N 249.745 3.100 30 1 BGEF C=C1C[C@]2(CCC[C@@H]3CCCC[C@@H]32)OC1=O 25985353 KOTLLZYPSLHIEH-OBJOEFQTSA-N 220.312 3.219 30 1 BGEF C=C(COC(=O)CC(C)C)c1ccc(C)cc1O 72174731 IYXKURCVMVQNOD-UHFFFAOYSA-N 248.322 3.303 30 1 BGEF C#CCN1CCC(/C=C\c2ccc(C)cc2)CC1 1857605909 SAKPNVZTNJAFLP-HJWRWDBZSA-N 239.362 3.353 30 1 BGEF C=C[C@@](C)(O)CCCCC=C(C)CC(C)=O 2356603176 APPMNDGEMXRQPR-CQSZACIVSA-N 224.344 3.409 30 1 BGEF CC(CO)=C1C[C@]2(C)[C@H](C)CCC[C@@H]2CC1=O 2356760944 VDUFYEYMLATBTF-LALPHHSUSA-N 236.355 3.101 30 1 BGEF Cn1cccc1-c1[nH]c2cccc(F)c2c1C#N 587635058 CSZXUJBZQHYGAH-UHFFFAOYSA-N 239.253 3.184 30 1 BGEF C=C(C(=O)O)[C@H]1CC=C(C=CC(C)=O)[C@H](C)CC1 2356633463 ZRGVVFJDAHZPKJ-QMTHXVAHSA-N 248.322 3.135 30 1 BGEF CC1=C2C[C@](O)(C(C)C)CC[C@H](C)[C@@H]2CC1=O 2356791011 GHLQAKFVITUUSL-WBIUFABUSA-N 236.355 3.099 30 1 BGEF O=[N+]([O-])c1cccc(/C=N/c2ccccc2F)c1 17921204 IEVXEDLEQKWXFQ-OQLLNIDSSA-N 244.225 3.485 30 1 BGEF CC1=C2C=C(C(C)C)C(=O)C[C@H](C)[C@H]2CC1=O 238748838 PHOOTLGNMYEPGZ-JOYOIKCWSA-N 232.323 3.083 30 1 BGEF CC1=CCC(C)(C)C=CC(=O)C(CO)=CCC1 1857639328 LWWQDOZCVXUIKE-UHFFFAOYSA-N 234.339 3.187 30 1 BGEF C=C1CC[C@@H]2[C@H]([C@@H]3C[C@H](C)C[C@@H]13)[C@@]2(C)CN 2356374088 NDTNPKKWPZTXBH-NPEPDHPWSA-N 219.372 3.210 30 1 BGEF CC/C=C/C[C@@]1(C)SC(O)=C(C)C1=O 101033093 JQENVPSMBOSCMB-MVIFTORASA-N 212.314 3.207 30 1 BGEF CC1=CC(=O)[C@@H]2C[C@]3(C)[C@H]4CC[C@]1(C4)[C@]23C 238745818 QSYREIWNGRIWRQ-ULQWKZLWSA-N 216.324 3.348 30 1 BGEF CC1=C[C@]23OC(C)(C)C[C@@]2(C)C[C@H](C)C3=CC1=O 206023897 MPSXPNNWUVFDFZ-AMKSKSKJSA-N 246.350 3.426 30 3 BGEF CC1=CCC(C)(C)[C@H]2CC[C@@](C)(O)C2=CC1=O 2356481099 DALCJJKJCXNGKA-XHDPSFHLSA-N 234.339 3.019 30 1 BGEF C=C(C)[C@@H]1Cc2c(C)nn(-c3ccccc3)c2C1 507307 OFEUDAGWZKZKMM-CYBMUJFWSA-N 238.334 3.472 30 3 BGEF N#C[C@@H]1CCC[C@H]2SC(F)(F)C(F)(F)[C@H]12 5600407 YGWLUAYAMMOYSR-RRKCRQDMSA-N 239.237 3.270 30 1 BGEF C[C@H]1C[C@@H](C)c2ccccc2N(C)[C@@H]1C#N 17249272 LBEAHYPHXKKJKU-UHIISALHSA-N 214.312 3.158 30 1 BGEF C/C1=C/[C@H](O)C/C(C)=C/CC(C)(C)/C=C/C1=O 169370457 NBVYFPSAUFQMAK-ACVUXPIDSA-N 234.339 3.185 30 1 BGEF N#Cc1ccc2c(C(=O)C3CCC3)coc2c1 587277740 FJAPCBXKVIACFL-UHFFFAOYSA-N 225.247 3.287 30 1 BGEF C=C(C)[C@@H]1CC[C@]2(C)C=CC(=O)C=C2C1 2356367653 HCGLSNXCQRJVMY-BXUZGUMPSA-N 202.297 3.434 30 1 BGEF C=Cc1ccc2c(c1)CCC1=C(C)C(=O)CCN12 13580710 JQCKDNRTXXZOAA-UHFFFAOYSA-N 239.318 3.329 30 1 BGEF C=C1CC[C@@H](O)C(C)(C)/C=C/[C@H](C)CCC1=O 14454917 SSWUIXHLQYARRL-YCNBAEJOSA-N 236.355 3.265 30 1 BGEF biogenic,in-vitro C=C1CCC[C@]2(C)C=C3NC(=O)C(C)=C3C[C@@H]12 13374154 RXTVBISZHPGQKT-SWLSCSKDSA-N 229.323 3.083 30 1 BGEF biogenic CC(C)=CCC[C@H](C)[C@@H]1C[C@@H](O)C(C)=CC1=O 14444284 WCPOFVDXHFDXHS-FPMFFAJLSA-N 236.355 3.265 30 1 BGEF biogenic CCCCCC[C@@H]1Oc2ccccc2N(O)C1=O 98082355 ATWQPXMJVWHFMR-ZDUSSCGKSA-N 249.310 3.140 30 1 BGEF C=CC(C)(C)c1nc2ccc(C(C)=O)cc2[nH]1 587954463 VZINTZKYUCQOTJ-UHFFFAOYSA-N 228.295 3.229 30 1 BGEF CC(=NCc1ccccc1)c1ccccc1O 1857741968 DNSDMSAATMZYNW-UHFFFAOYSA-N 225.291 3.401 30 1 BGEF C=C1[C@H]2CC[C@@](C=O)([C@@H]2OC)[C@@]1(C)C1CCCC1 2356734223 YOFAYOYDXJVGLP-KLHDSHLOSA-N 248.366 3.363 30 1 BGEF C(=C/c1ccccc1)\C=N\Cc1cccnc1 103286304 YFQPWLSUCIMVRX-PVZXKMMOSA-N 222.291 3.366 30 1 BGEF C=C[C@H](C/C=C\C/C=C\CC)OC(C)=O 140402698 GIYINLRNLNHSBA-UFNCSWJDSA-N 208.301 3.407 30 1 BGEF CCn1c(O)c(/C=N/c2ccccc2)oc1=S 169689924 MIWJULPPZGBHHR-MDWZMJQESA-N 248.307 3.287 30 1 BGEF C=CCCCCCCC=CC[C@@H](O)[C@@H](C)N 2356791428 GRWYXVVLXCKOLO-ZIAGYGMSSA-N 225.376 3.167 30 1 BGEF C=C1C(=O)O[C@H](C)C[C@H]1C1CCCCC1 45253848 HQFXLTQKXYJLIY-BXKDBHETSA-N 208.301 3.075 30 1 BGEF CCCCCCCCCOC(=O)[C@@H](O)CC 95575884 GHPSPZDCGHMBGX-LBPRGKRZSA-N 230.348 3.051 30 1 BGEF C=CCN1CCC[C@@H]2C[C@@H]1c1ccccc12 100918347 YJZNRSFQIRJKSX-IUODEOHRSA-N 213.324 3.497 30 1 BGEF C=CCN1C[C@@]2(c3ccccc3)CCC[C@H]1C2 169317660 HGLOLJDJUXKHGE-JKSUJKDBSA-N 227.351 3.369 30 1 BGEF CC1=C2C(=O)[C@@H](C)C(C)=C2C=C(CC(=O)O)CC1 238742209 VXWHDXWEQVLWLW-JTQLQIEISA-N 246.306 3.033 30 1 BGEF C[C@H]1C[C@H]1C(=O)c1coc2cc(C#N)ccc12 587277855 GEQHENWGBSBNME-GZMMTYOYSA-N 225.247 3.143 30 1 BGEF C#CCN1CCC[C@@H](CCc2ccc(F)cc2)C1 1857611501 KREVZPFDTHGGKA-HNNXBMFYSA-N 245.341 3.104 30 1 BGEF CC1=CC[C@@H]2[C@@H](CC2(C)C)[C@](C)(O)CCC1=O 2356805808 ZXYYADHSLPAWGV-LALPHHSUSA-N 236.355 3.099 30 1 BGEF N#Cc1cc(Cl)cc(C#Cc2ccccn2)c1 71295972 ROJRIPXOEQUZDO-UHFFFAOYSA-N 238.677 3.006 30 1 BGEF CC(=O)/C=C/C[C@@]1(C)[C@@H]2C[C@H]3[C@@H](C2)[C@]31C 238757697 KMYVNUFAXPKQDY-YLKSIBFBSA-N 204.313 3.204 30 1 BGEF CC(C)=CCC[C@H](C)C1=C(O)C=C(C)C(=O)C1=O 101269088 FVXKLVZJMMKIKS-JTQLQIEISA-N 248.322 3.279 30 1 BGEF C#Cc1ccc(Nc2c(N)oc3cnccc23)cc1 1857775089 BLHNAACUGMUUAG-UHFFFAOYSA-N 249.273 3.135 30 1 BGEF C=C1CCC2=C(C)C[C@@H]3OC(=O)[C@H](C)[C@H]3C[C@@H]12 2356393200 CPKGJHHSPZHSMP-CABNGKKXSA-N 232.323 3.241 30 1 BGEF CC1(C)CC(=O)C(/C=N/C2CCCC2)=C(O)C1 265741 GYPOGVUSUHMFPP-OQLLNIDSSA-N 235.327 3.201 30 1 BGEF C[n+]1ccc(/C=N/c2cccc3ccccc23)cc1 26837902 WNMPSZZSLIIBFC-QGOAFFKASA-N 247.321 3.415 30 1 BGEF COc1ccccc1/N=C1/CCC(O)=C1C 102538044 GFQMRLDCIGVXKH-UVTDQMKNSA-N 217.268 3.394 30 1 BGEF CCO/C(O)=C1\CSCC1=Nc1ccccc1 254096003 ISVQHQAODOLWFD-AOGCGKDYSA-N 249.335 3.312 30 1 BGEF C[C@@H]1C[C@@H]2O[C@]2(C)CCC(=O)[C@H]2CC(C)(C)[C@H]21 2356453390 WKCFQJANAYCDAQ-RDIPKWCJSA-N 236.355 3.195 30 1 BGEF O=C(/C=N/c1ccccc1S)c1ccco1 5882948 FSKMEBWHONIGID-MDWZMJQESA-N 231.276 3.154 30 1 BGEF C/N=C(/Cc1ccc(-c2ccccc2)cc1)NC 29415284 PKPKYCNODAORIQ-UHFFFAOYSA-N 238.334 3.144 30 1 BGEF C(=N/c1ccc2ccccc2n1)\c1cccnc1 36382725 BHSCOIDRHMIXMK-GZTJUZNOSA-N 233.274 3.380 30 1 BGEF C[C@]12CCCCCC3=CC(=O)C=C[C@]31OCC2 206024055 SCGQJWBEHZMIDC-CABCVRRESA-N 232.323 3.181 30 3 BGEF C=C(C)CC[C@@H]1CCCC[C@@H](CN(C)C)C1=O 5853555 FIMDXLYYNGRIJW-KBPBESRZSA-N 237.387 3.280 30 1 BGEF N#C[C@@H](Cc1ccc(O)cc1)c1ccccc1 16931741 YDQYAHRIMRZGHV-CQSZACIVSA-N 223.275 3.242 30 1 BGEF C=C/C(C)=C/[C@]1(CC)SC(O)=C(C)C1=O 60184915 BOMAALMZZQMZOS-GUOLPTJISA-N 224.325 3.373 30 1 BGEF in-vitro CCCCCCCCCC(=O)SCC(=O)O 169322894 QGOBCMPWCDWVSI-UHFFFAOYSA-N 246.372 3.472 30 1 BGEF ON=C1c2ccccc2-c2ccc(F)cc21 254103514 SGBFKSKVPJDHGB-UHFFFAOYSA-N 213.211 3.033 30 3 BGEF CCc1n[nH]c(CC)c1Oc1cccc(C#N)c1 33966817 HRPRBPIOFNXWBZ-UHFFFAOYSA-N 241.294 3.198 30 1 BGEF C=C[C@]1(C)CC[C@@H]([C@@](C)(O)CC=CC(=C)C)O1 2356638772 PUIJLDUDGLGOIA-ZNMIVQPWSA-N 236.355 3.384 30 1 BGEF C=C1C[C@H]2C=C[C@@]3(C[C@H](C)C[C@H]13)[C@@H]1[C@H]2[C@]1(C)CN 2356766985 KDBRUEWLDRTUFV-MOYBBJLCSA-N 243.394 3.376 30 1 BGEF CCCCCCCC#CC#C/C=C\C(C)=O 44307347 DKCBYRCFPIHFRI-YPKPFQOOSA-N 216.324 3.499 30 1 BGEF CC1=C2c3occ(C)c3C(=O)C[C@H](C)[C@H]2CC1=O 135871097 CLAPLFAABVVYOH-OIBJUYFYSA-N 244.290 3.173 30 1 BGEF C=C1CCC[C@@H]2C(=C)C(=O)O[C@@]23[C@H]1CC[C@H]3C 2356454393 KQRRKYOJZSNEMG-ZRQNBYAXSA-N 232.323 3.241 30 1 BGEF CC(C)=CC(=O)C=C(C)[C@]1(O)CC=C(C)CC1 2356784517 OWUWKGDMPZLWFL-HNNXBMFYSA-N 234.339 3.329 30 1 BGEF CC1(C)CCC[C@@]2(C)CC[C@](C)(O)C[C@H]3O[C@]312 14884637 BSLAWKTUBVGEDH-UQOMUDLDSA-N 238.371 3.275 30 1 BGEF biogenic,in-vitro C=C1CCCC(C)(C)[C@@H]1C[C@@H]1C(=O)[C@@H]1CC=O 2356634656 LAZAQULRWSSBPS-FRRDWIJNSA-N 234.339 3.163 30 1 BGEF CC1=CC(=O)C(=C(C)C)C[C@H]2[C@@H]1CC[C@]2(C)O 38436232 RHBOHEXDGUVIIY-ZLDLUXBVSA-N 234.339 3.019 30 1 BGEF C/C1=C\CC(C)(C)[C@@H]2CC[C@@](C)(O)C2=CC1=O 49525734 DALCJJKJCXNGKA-YFNJIKDQSA-N 234.339 3.019 30 1 BGEF C=C(C)c1cc2c(OC)c(OC)c(OC)cc2o1 238741873 LJXSDVVEZQEHTH-UHFFFAOYSA-N 248.278 3.492 30 1 BGEF N#Cc1c(-c2ccc[nH]2)[nH]c2cccc(F)c12 587637194 XWVKJLIDTWYTME-UHFFFAOYSA-N 225.226 3.174 30 1 BGEF C[C@@H]1CC(=O)C([C@]2(C)CCCC2(C)C)=CC1=O 2356445113 VMJFMEPSANWZNT-BMIGLBTASA-N 234.339 3.307 30 1 BGEF C[C@@H]1C[C@@H]2O[C@]2(C)CCC(=O)[C@H]2CC(C)(C)[C@@H]21 2356453388 WKCFQJANAYCDAQ-JNPGXQBXSA-N 236.355 3.195 30 1 BGEF CC1(C)C=CC(=O)CC[C@H]2O[C@@]2(C)CCC1 2356528020 RUDQCXIBOPSRCQ-OCCSQVGLSA-N 222.328 3.260 30 1 BGEF C=C1C[C@]2(CCC[C@H]3CCCC[C@@H]32)OC1=O 25985369 KOTLLZYPSLHIEH-DYEKYZERSA-N 220.312 3.219 30 1 BGEF C=C1[C@@H]2C(=O)OC[C@H]3[C@@H]2[C@@H](C(C)C)CC[C@@]13C 39560045 YRJUYCPYOZTNDX-MCZMQQNQSA-N 234.339 3.034 30 1 BGEF C=CCOc1c(CC=C)cccc1OCC 103284717 OAQHULIXHLZWAL-UHFFFAOYSA-N 218.296 3.379 30 1 BGEF C=CC(C)(C)c1nc2cc([N+](=O)[O-])c(F)cc2[nH]1 587954194 HOSVUZXEWQWCPK-UHFFFAOYSA-N 249.245 3.074 30 1 BGEF CC(C)=CC(=O)/C=C(\C)CCCC1=CC(=O)OC1 28540966 SZHJDXKBXJJFHM-XYOKQWHBSA-N 248.322 3.122 30 1 BGEF CON=C(Cc1ccccc1)c1ccc(F)cc1 253651081 KDSPLHJMVKFBQU-UHFFFAOYSA-N 243.281 3.419 30 1 BGEF C=C(C)[C@H]1C[C@@H]2C(=CC[C@@H]2C)C(=C)[C@H](O)C1 1857753656 MQTORDYFZDCXHU-HQRZJTNHSA-N 218.340 3.472 30 1 BGEF C=CC(C)(C)c1cc2ccc(OC)cc2oc1=O 5355923 BTXKAWICQLJRID-UHFFFAOYSA-N 244.290 3.265 30 1 BGEF endogenous,in-man CC1=CC[C@@H]2[C@@H](C(C)(C)O)CC[C@@]2(C)CC1=O 14447490 QLPFFALFRHDBQD-ZOWXZIJZSA-N 236.355 3.099 30 1 BGEF biogenic CCCN1CCC(c2cccc(C#N)c2)CC1 39365772 JEBBVQHLUNJCDO-UHFFFAOYSA-N 228.339 3.148 30 1 BGEF C/C=C/C#CC#CCCC(=O)CCCCC 225614735 WUMWZQHJYMMOHK-HWKANZROSA-N 216.324 3.499 30 1 BGEF N#CCC[C@@H]1[C@H](C#N)[C@H]2C[C@H]1[C@H]1[C@H]3C=C[C@@H](C3)[C@H]21 299815158 DDUMOHTYVYQIDE-SETOYPPUSA-N 238.334 3.134 30 1 BGEF C=CCOc1ccc([C@H](CC)N=O)c(OC)c1 169688398 FVGYMUORGOMGIS-LBPRGKRZSA-N 235.283 3.478 30 1 BGEF C[C@@H]1CC[C@H](C(C)(C)O)C(=O)C2=C1CC[C@H]2C 2356832131 HZCYLHYZGNIVHG-FOGDFJRCSA-N 236.355 3.099 30 1 BGEF C=C1C(=O)O[C@]23C=C(C)CC[C@H]2[C@H](C)CC[C@@H]13 14918239 FRCNDCUEKFCJQI-GVUJHPQVSA-N 232.323 3.241 30 1 BGEF CC(=O)CC[C@@H]1[C@H]2CC(=O)C(=C(C)C)C[C@]12C 2356512278 XBAWTHOTVUOCMB-UMVBOHGHSA-N 234.339 3.307 30 1 BGEF CC[C@]12CCC(=O)C=C1c1ccc(O)cc1C2 34799658 NNOSFPNZQSGPEI-OAHLLOKOSA-N 228.291 3.091 30 1 BGEF C/C=C/C=C/C(=O)c1c(O)c(C)cc(C)c1O 140723325 QKVDPCKPCVREGL-YTXTXJHMSA-N 232.279 3.030 30 1 BGEF CC[C@H](Cc1cccs1)/N=C1\CCCCN1 169331958 IBLVCVISTHPEEH-LLVKDONJSA-N 236.384 3.241 30 1 BGEF CC#Cc1nc2cc(Cl)c(Cl)cc2[nH]1 587953827 TWQJDXBBFWJEIR-UHFFFAOYSA-N 225.078 3.241 30 1 BGEF CC1(C)[C@@H]2CC[C@@]1(C)/C(=N/CCN1CCCC1)C2 1857587902 RDFDLFXKYMPSKE-SQGGEIARSA-N 248.414 3.369 30 1 BGEF C=C1CCC[C@]2(C)C[C@@H]3OC(=O)[C@@H](C)[C@@H]3C[C@H]12 5534523 YYJRTJYCOMIDIC-DKBOKBLXSA-N 234.339 3.321 30 1 BGEF in-man C=C(C)[C@@H]1CC(=O)[C@@H]2CC(=O)C[C@H](C)[C@@]2(C)C1 85725506 FFYAYKVAOOBUBP-YODMDTAWSA-N 234.339 3.163 30 1 BGEF endogenous,in-man C=C[C@@](C)(O)CCC=C(C)[C@@H](O)CC=C(C)C 2356519823 QNAJDMGVFWNPDH-LSDHHAIUSA-N 238.371 3.367 30 1 BGEF CCCCCCCCC=CC[C@@H](O)[C@H](C)N 2356529307 APIMNRBWCSRKIX-UONOGXRCSA-N 227.392 3.391 30 1 BGEF C=CCCCCCCC=CC[C@H](O)[C@@H](C)N 2356791426 GRWYXVVLXCKOLO-KGLIPLIRSA-N 225.376 3.167 30 1 BGEF N#CC[C@@]12N[C@@H](Cc3ccccc31)c1ccccc12 26016956 YCPSGTGETFVEQO-DLBZAZTESA-N 246.313 3.044 30 1 BGEF CCCCN(CC)CC#CCc1ccccc1 103242436 UNBAVXQJLYRUID-UHFFFAOYSA-N 229.367 3.355 30 1 BGEF C=C1CCC(=O)[C@]2(C)CC[C@@H](C(C)(C)O)C[C@@H]12 2356488724 XXXUKVXBKDQFQX-TYNCELHUSA-N 236.355 3.099 30 1 BGEF CC(=O)C=CC1=C(C)[C@@H]2CC[C@H](C)[C@H]2[C@@H](C)O1 2356619074 SRSZWWZBWAHJNN-AETLKFDBSA-N 234.339 3.487 30 1 BGEF C=C(C)c1cc(O)c(=O)ccc1CC=C(C)C 14614454 JGONUWOERJCFMF-UHFFFAOYSA-N 230.307 3.294 30 1 BGEF biogenic C=C[C@@H](c1ccccc1)c1ccc(O)cc1O 14652319 UNABYKBYLJJXQE-ZDUSSCGKSA-N 226.275 3.416 30 1 BGEF biogenic C=C1C2=C(C=C3OC(=O)CC[C@@H]13)OC(C)(C)CC2 14886674 SKCSBAMEPKQAIK-JTQLQIEISA-N 246.306 3.236 30 1 BGEF biogenic C=CC[C@@H](C(=O)c1ccc(C)cc1)N1CCCC1 13682200 JREHJCKVQXOMFL-HNNXBMFYSA-N 243.350 3.218 30 1 BGEF C=C(C)c1cc2cc(OC)cc(OC)c2o1 15119313 PXDFJYIPGZJZIZ-UHFFFAOYSA-N 218.252 3.483 30 1 BGEF biogenic C[C@]1(/C=C2/C=CCCC2)SC(=O)C=C1O 40828780 CDWRCGZVUURDLQ-JLVNDZCYSA-N 222.309 3.127 30 1 BGEF Cc1nc(C#Cc2cncc(C3CC3)c2)cs1 137253117 HRXOYMIDEZMYOK-UHFFFAOYSA-N 240.331 3.124 30 1 BGEF C=C1C(=O)O[C@H]2CC(C)=C3CC[C@@H](C)[C@@H]3C[C@H]12 238746659 GAPVTYWDGWKUKK-XAGKMFGPSA-N 232.323 3.241 30 1 BGEF C=C1O[C@H]2[C@H]3C(C)=CC[C@@H](O)[C@@]3(C)CC[C@@H]2[C@@H]1C 2356737720 STIYXYABWPDGCS-ONGIZVEFSA-N 248.366 3.278 30 1 BGEF C=C[C@@](C)(O)C=CC=C(C)[C@@H](O)CC=C(C)C 2356784669 PPMNAEJKJPXLIR-LSDHHAIUSA-N 236.355 3.143 30 1 BGEF COc1ccc(Cl)cc1C#Cc1ccns1 587921059 QOEUEBLQHAOOHR-UHFFFAOYSA-N 249.722 3.205 30 1 BGEF C[C@H](C#N)c1cccc(-c2nc3cnccc3[nH]2)c1 587189207 ZPMDFELQENEMDH-SNVBAGLBSA-N 248.289 3.252 30 1 BGEF CC(C)=CCC=C(C)[C@H]1C[C@@H](O)C(C)=CC1=O 2356769321 BFOSUQZIPYHFHA-ZIAGYGMSSA-N 234.339 3.185 30 1 BGEF CNC[C@H]1C[C@H]1c1cccc2cc(C#N)ccc12 28960296 JUYWPKNJPYGGJT-CZUORRHYSA-N 236.318 3.034 30 1 BGEF C=C(C)[C@@H](O)/C=C/C=C\c1ccccc1 169355515 QANYBZUFTNCOOT-JICJIDQMSA-N 200.281 3.193 30 1 BGEF C=CCC(C)(C)c1nc2ccc(C(=O)O)cc2[nH]1 587954065 AJJAITZJYUWZRY-UHFFFAOYSA-N 244.294 3.115 30 1 BGEF CC(C)=C1C[C@@]2(C)C(=CC1=O)CC[C@H](O)[C@H]2C 238759725 TVDMUSYVWJLIDK-RIEGTJTDSA-N 234.339 3.019 30 1 BGEF C=C[C@H]1CCC(=C)[C@@H]2CCC(C(=O)OC)=C[C@@H]12 238763758 HYMOLJMMZNNOBO-UBHSHLNASA-N 232.323 3.264 30 1 BGEF C=CCn1ccc(-c2cc(C=C)ccc2O)n1 1857553556 NAWKBCKEBZYTCK-UHFFFAOYSA-N 226.279 3.085 30 1 BGEF CC1=CC[C@](C)([C@]2(C)CC(=O)C=C2CO)CC1 14511077 FBSYQYBRVWGYEB-LSDHHAIUSA-N 234.339 3.021 30 1 BGEF biogenic C=C/C(C)=C/[C@@]1(CC)SC(O)=C(C)C1=O 60184919 BOMAALMZZQMZOS-ABZNLYFFSA-N 224.325 3.373 30 1 BGEF in-vitro CC=CC=CC#CC=CCOC(=O)C(C)=CC 2356641542 TWUQZXCLSSZRQZ-UHFFFAOYSA-N 230.307 3.188 30 1 BGEF CC1=CCC[C@]2(C)O[C@@H]2[C@@H](O)[C@H](C(C)C)CC1 2356763472 KLQPHHIQARFSDE-XQLPTFJDSA-N 238.371 3.297 30 1 BGEF C=C1[C@@H](OC=O)C[C@H]2[C@H]3[C@H](C(C)C)CC[C@@]2(C)[C@@H]13 2356849369 PVPCVTQZYIKZBU-WGGGBPLMSA-N 248.366 3.422 30 1 BGEF O=C1C=C[C@H](c2c[nH]c3ccccc23)CC1 103062832 NHSGQWLUFCIQGA-JTQLQIEISA-N 211.264 3.171 30 3 BGEF C=C1CC(C#N)(C#N)[C@@H]2C[C@H]3CCC[C@@H]3[C@H]12 5600839 FDQPAYVZNFVBJK-XQHKEYJVSA-N 212.296 3.032 30 1 BGEF CCO/N=C/CC(=O)c1ccc(OC(C)C)cc1 103153502 MUJQKNCCLANIGV-XNTDXEJSSA-N 249.310 3.069 30 1 BGEF C=C1CC[C@@H]2C=CC[C@@H](C(C)C)[C@H]2C1=O 2356699802 JRPMSLZDANNJTE-AVGNSLFASA-N 204.313 3.370 30 1 BGEF C=C1C(=O)O[C@@H]2CC(=C)[C@]3(CCC[C@@H]3C)C[C@@H]12 14685240 YWGQGEZTRMMMBF-GCVYGYKWSA-N 232.323 3.241 30 1 BGEF biogenic C=C1C[C@]2(O)O[C@@]3(CC2=C(C)C)[C@H]1CC[C@H]3C 33805080 DEBDFZGNZTYPMF-OSRDXIQISA-N 234.339 3.177 30 1 BGEF in-man CC1(C)CCC[C@@]2(C)C=CC(=O)[C@H]3C[C@]312 111958177 MPIBOQKDJNGGSK-SWHYSGLUSA-N 204.313 3.348 30 1 BGEF C=C1CC[C@@H]2[C@@H]([C@@H]3[C@H]1CC[C@]3(C)O)C2(C)C 238733107 FRMCCTDTYSRUBE-KBRXKUPHSA-N 220.356 3.386 30 1 BGEF C=C1C(C(=O)OC)=C[C@]2(C)CC[C@@H]3[C@H](C)CC[C@@]132 2356321282 CSZCXCASSYBWFQ-YONQAEKCSA-N 246.350 3.488 30 1 BGEF C=C1CCC[C@]2(C)C[C@@]3(O)OCC(C)=C3C[C@@H]12 2356411638 VIBKDXLGWZVQRC-NWANDNLSSA-N 234.339 3.178 30 1 BGEF C/C=C(/C)C#Cc1ccc(CCC(=O)O)c(F)c1 203531066 ZHOWKHLSVSSENE-JYOAFUTRSA-N 246.281 3.161 30 1 BGEF CC(C)=C1Oc2c(ccc3cc(C)ncc23)C1=O 7754 KJJZKDAMKKPUPJ-UHFFFAOYSA-N 239.274 3.412 30 1 BGEF biogenic C=C1C[C@H](O)[C@H](C(C)C)CC/C(C)=C/[C@H](O)C1 40977045 AQEMBMAEIOQGCX-NQDLHCNUSA-N 238.371 3.057 30 1 BGEF C=C1C[C@]2(CCC[C@@H]3CCCC[C@H]32)OC1=O 58603722 KOTLLZYPSLHIEH-SCRDCRAPSA-N 220.312 3.219 30 1 BGEF CC1=C(O)C(=O)C([C@@]2(C)CCCC2(C)C)=CC1=O 85596733 CJBHXGXJJDLMPE-OAHLLOKOSA-N 248.322 3.113 30 1 BGEF CC(=O)[C@H]1CC[C@@H]2[C@@H](CCC3=CC(=O)CC[C@@H]32)C1 169355102 FZBFFQIUPYHEAP-RKLWJJNISA-N 246.350 3.307 30 1 BGEF CCCCCCCc1cc(O)c(C)c(=O)o1 2356712620 IUKKFAIGCSXVKI-UHFFFAOYSA-N 224.300 3.167 30 1 BGEF CC1=CCC[C@]2(C)O[C@@H]2[C@H](O)[C@H](C(C)C)CC1 2356763473 KLQPHHIQARFSDE-YJNKXOJESA-N 238.371 3.297 30 1 BGEF COc1ccc(CC[C@H]2CC=CC(=O)C2)cc1 14589748 GHWMPEXOZUOJOT-CYBMUJFWSA-N 230.307 3.163 30 1 BGEF biogenic C/C=C(\C)[C@H]1SC(=O)C(C)=C(O)[C@H]1C 14766368 OAVVXAWSFUKBGM-JVVNSHGZSA-N 212.314 3.063 30 1 BGEF C=C1CC(=O)C(=C(C)C)C[C@H]2[C@@H]1CC[C@@]2(C)O 95619487 ITIGZFMSPAFZAE-OSAQELSMSA-N 234.339 3.019 30 1 BGEF endogenous,in-man CC[C@]12C=CC3=C(C)C(=O)CC[C@@H]3[C@H]1CC[C@@H]2O 253632582 AMHRBYOHIWXPJX-XRGAULLZSA-N 246.350 3.019 30 1 BGEF N#Cc1cccc(-c2cnc3cccnc3c2)c1 28826032 GOWMBIHHRVFADP-UHFFFAOYSA-N 231.258 3.168 30 1 BGEF in-vivo C/C1=C/CC[C@]2(C)O[C@@H]2CC(C)(C)/C=C/C1=O 100734136 UXYYOHOTPOQJPD-UZTMKGQRSA-N 234.339 3.426 30 1 BGEF endogenous,in-man C#Cc1cccc(-c2nc3cccc(OC)c3[nH]2)c1 586878894 BGOJMAFFPVKWLJ-UHFFFAOYSA-N 248.285 3.220 30 1 BGEF C=C[C@@]1(C)C=C2NC(=O)C(C)=C2C[C@H]1C(=C)C 2356397917 KHYMPNHQRKVOEQ-WFASDCNBSA-N 229.323 3.105 30 1 BGEF CC(=O)C=CC[C@]1(C)C2C[C@H]3[C@@H](C2)C31C 2356420705 KMYVNUFAXPKQDY-ANNIKCPVSA-N 204.313 3.204 30 1 BGEF C=C1CCC(=O)[C@]2(C)C[C@@H]2CC(C)(C)C[C@H]1O 14444235 UGRCWWGJQJTKAF-YWPYICTPSA-N 236.355 3.099 30 1 BGEF biogenic N#Cc1cccc(-c2ccc3oc(=O)ccc3c2)c1 72128583 IQNOYQLGZWAEFU-UHFFFAOYSA-N 247.253 3.332 30 1 BGEF C[C@@H](C#N)Cn1nc2cc1Oc1ccc(F)cc1-2 587875604 SJLYZPZCTXAEEH-QMMMGPOBSA-N 243.241 2.955 30 1 BGEF CC=CC(=O)C1=C(C)C(O)=CCC1(C)C 2356733650 LXJIURZYUSYVNB-UHFFFAOYSA-N 206.285 3.320 30 1 BGEF CC1=C2CC[C@]3(C)[C@H](O)[C@@H](C)C[C@@H]3[C@@H]2CCC1=O 40676514 MQUWOZCDCNPFTM-KRNPMLGVSA-N 248.366 3.099 30 1 BGEF O=C1/C(=C/O)CCCc2c1[nH]c1ccccc21 102929663 QXBSVZYFGPNEHQ-CMDGGOBGSA-N 227.263 3.129 30 1 BGEF COc1ccc(Cl)cc1C#C/C=C/F 587914481 BJLXSTRDHAYIOV-XVNBXDOJSA-N 210.635 3.183 30 1 BGEF C=C1CC[C@H](C(C)(C)O)C=C[C@H](C)CCC1=O 2356554217 RJCCYTWCDOEWGM-WCQYABFASA-N 236.355 3.265 30 1 BGEF CC(C)=CCC[C@@]1(C)OCC2=CC(=O)C[C@@H]21 101434038 HZAPFZZROKLYFD-UONOGXRCSA-N 220.312 3.037 30 1 BGEF N#C[C@H]1[C@H]2CC[C@H](C2)[C@H]1C(=O)c1ccccc1 4156348 UQTXKRNSFAKAPN-RFQIPJPRSA-N 225.291 3.055 30 1 BGEF C=C1CCC(c2ccc(O)c(/C=N/O)c2)CC1 1857604426 YCPBHCDBKYITDG-OQLLNIDSSA-N 231.295 3.414 30 1 BGEF O=C1C=C(C2CCCC2)c2ccccc2C1=O 13443915 QWRUWZSPKSIBFG-UHFFFAOYSA-N 226.275 3.026 30 1 BGEF C=C1[C@H](C)CC[C@]2(C)[C@H]1CC=C1C(=O)OC[C@@H]12 14929582 CQWUYORFTUWURA-JVBMTESESA-N 232.323 3.098 30 1 BGEF biogenic Cc1cccc(/C(=N/O)c2ccccc2)c1 26488167 VXCFREDMLJTBOV-CCEZHUSRSA-N 211.264 3.222 30 1 BGEF CC(C)Cc1ccc([C@H](C)C(=O)/C=N/O)cc1 64475246 CBBFXBQUWYGYON-ZRRZQRFHSA-N 233.311 3.018 30 1 BGEF C=C(COC(=O)/C(C)=C\C)c1ccc(C)cc1O 72174730 AZIQOUDJDHKSLD-WZUFQYTHSA-N 246.306 3.223 30 1 BGEF C=C1CCC(=O)[C@]2(C)CC[C@@H](C(C)C)C[C@@]12O 238753235 FBFPIPZUUNYSEA-VHDGCEQUSA-N 236.355 3.099 30 1 BGEF C=C[C@@](C)(O)CCCC/C=C(\C)CC(C)=O 14447900 APPMNDGEMXRQPR-BRADTZPFSA-N 224.344 3.409 30 1 BGEF CC1(C)CCC[C@@]2(C)C=CC(=O)[C@@H]3C[C@]312 33975449 MPIBOQKDJNGGSK-BPNCWPANSA-N 204.313 3.348 30 1 BGEF biogenic,in-vitro C=C1CCC2=C(C)CC[C@H]3[C@H](C)C(=O)O[C@H]3[C@@H]12 214903947 BEOCXRAFSKTCDN-DOERSZECSA-N 232.323 3.241 30 1 BGEF O=C(O)c1ccc(-c2ccccc2)cc1CS 1772642033 OJGNJYVRHUYKQS-UHFFFAOYSA-N 244.315 3.482 30 1 BGEF C=C1CC[C@H](C(=O)O)[C@@H]2C=C(C)CC[C@@H]12 2356451715 PFNVYYPGRXRVNO-SDDRHHMPSA-N 206.285 3.010 30 1 BGEF C=C1CC[C@H]2[C@]3(C)C(=O)C[C@H]4[C@H](C4(C)C)[C@]123 5963909 HKUMSCVSDLYTMZ-JPXUEEETSA-N 216.324 3.204 30 1 BGEF O=C(O/N=C/c1ccccc1)C1CCCCC1 38247155 JRKPAONDQKHHRN-RVDMUPIBSA-N 231.295 3.144 30 1 BGEF Cc1cc(C(=O)/C=C/c2ccccc2O)c(C)o1 103271751 GFLAMCPDNPGHFB-BQYQJAHWSA-N 242.274 3.498 30 1 BGEF C/C(=N\c1ccc(O)cc1)c1ccc(O)cc1 142460988 RYATXTJYTHQFRG-XNTDXEJSSA-N 227.263 3.239 30 1 BGEF C=C1C(=O)O[C@H]2[C@@H]3C(C)=CCC[C@]3(C)CC[C@H]12 257553377 UHODXTMZSDNATP-QVHKTLOISA-N 232.323 3.241 30 1 BGEF N#Cc1c([C@@H]2CCCOC2)[nH]c2cccc(F)c12 587635769 RLCWXNOYLXYWMD-SECBINFHSA-N 244.269 3.073 30 1 BGEF CC(C)=CCCC(C)=C1C[C@H](O)C(C)=CC1=O 2356409956 XYLPDPPGAMCDQW-AWEZNQCLSA-N 234.339 3.329 30 1 BGEF CC=CC#CC=CC(=O)CCCCCC(C)=O 2356600576 QBIYEGKVJANQEH-UHFFFAOYSA-N 232.323 3.231 30 1 BGEF CC=CC1=CC(=O)[C@@](C)(C=CC=CCC)O1 2356770166 YSVQGKYAKQHXOG-CQSZACIVSA-N 218.296 3.327 30 1 BGEF C=C(C)CC[C@H]1CCCC[C@@H](CN(C)C)C1=O 5853574 FIMDXLYYNGRIJW-KGLIPLIRSA-N 237.387 3.280 30 1 BGEF Oc1ccc(F)cc1/C=N/c1ccccc1F 64490669 QHMISKXPBPQGMA-LZYBPNLTSA-N 233.217 3.421 30 1 BGEF CC1=C2C=C(C(C)C)C(=O)C[C@H](C)[C@@H]2CC1=O 2356540192 PHOOTLGNMYEPGZ-CABZTGNLSA-N 232.323 3.083 30 1 BGEF C=C[C@]1(C)CC[C@H](C(C)(C)O)C[C@@H]1C(C)(C)O 15150225 KCUBNAQHLWZMCB-YWPYICTPSA-N 240.387 3.137 30 1 BGEF biogenic CCCCN=C(C)c1cc2ccccc2oc1=O 2356321915 FAFKDGJLAYGIRU-UHFFFAOYSA-N 243.306 3.402 30 1 BGEF C=C1[C@@H]2C[C@H](O)C[C@@]23CC[C@@H](C3)C1(C)C 2356504954 LRKPKMYNYQJRMD-MNXVOIDGSA-N 206.329 3.140 30 1 BGEF CCCCCCCCCC[C@@H](CO)NCC 82150876 QBSFYYYZQKGPGD-AWEZNQCLSA-N 229.408 3.488 30 1 BGEF CCCCCCCCC=CC[C@@H](O)[C@@H](C)N 2356529308 APIMNRBWCSRKIX-ZIAGYGMSSA-N 227.392 3.391 30 1 BGEF CCCC/C=C1\CC[C@H](CN2CCCC2)C1=O 1631989 PYEMAMVAEKFODM-WTWVRAIASA-N 235.371 3.178 30 1 BGEF C=C1C(=O)O[C@]23[C@H]1CCCC(=C)[C@H]2CC[C@H]3C 169519867 KQRRKYOJZSNEMG-PBOSXPJTSA-N 232.323 3.241 30 1 BGEF CC(=O)CC[C@@H]1[C@@H]2CC(=O)C(=C(C)C)C[C@@]21C 2356512280 XBAWTHOTVUOCMB-VNHYZAJKSA-N 234.339 3.307 30 1 BGEF CC1=CC(=O)C(=C(C)C)C[C@H]2[C@H]1CC[C@@]2(C)O 14454034 RHBOHEXDGUVIIY-CORIIIEPSA-N 234.339 3.019 30 1 BGEF endogenous,in-man CC1=CC(=O)c2[nH]c3ccc(Cl)cc3c2C1=O 34375535 XWICIWOCQCSHPU-UHFFFAOYSA-N 245.665 3.147 30 1 BGEF CC(C)C1=CC(C)(C)CC2=C1C(=O)C[C@]2(C)O 14444556 CDGJALSODSFJMM-HNNXBMFYSA-N 234.339 3.019 30 1 BGEF biogenic C=C1[C@@H](C)CC[C@@]2(C)[C@H]1CC=C1C(=O)OC[C@@H]12 14929580 CQWUYORFTUWURA-STAGSXQKSA-N 232.323 3.098 30 1 BGEF C=CC[C@@H]1C(=O)C[C@]2(C)[C@@H](CC=C)C(=O)C[C@]12C 17193327 YBOIABIWEKRFCE-NOXHYTERSA-N 246.350 3.329 30 1 BGEF CCCCC1=CC(=O)C(=O)c2ccccc21 29568890 WMSRXOPGEPXNNG-UHFFFAOYSA-N 214.264 3.026 30 1 BGEF O=C(O)c1cccc(/C=N/Cc2ccccc2)c1 43073579 QCMWNUBKRQECTC-LFIBNONCSA-N 239.274 3.004 30 1 BGEF C=CCN1C[C@@]2(c3cccc(O)c3)CCC[C@H]1C2 169317670 ZRCCRNBCKHEXTC-GOEBONIOSA-N 243.350 3.074 30 1 BGEF CC(C)c1[nH]c2cccc([N+](=O)[O-])c2c1C#N 587646708 IBYFXGXNIAWOJU-UHFFFAOYSA-N 229.239 3.071 30 1 BGEF C=C1CC[C@H](C(=O)O)[C@H]2C=C(C)CC[C@H]12 2356451717 PFNVYYPGRXRVNO-WOPDTQHZSA-N 206.285 3.010 30 1 BGEF C=C[C@](C)(O)CCC=C(C)C[C@@H](O)C=C(C)C 2356736112 TZCKNDPYYKEPHO-GJZGRUSLSA-N 238.371 3.367 30 1 BGEF N#C[C@@H]1CCC[C@H]2SC(F)(F)C(F)(F)[C@@H]12 5600428 YGWLUAYAMMOYSR-XVMARJQXSA-N 239.237 3.270 30 1 BGEF C(#C[C@H]1C[C@@H]1c1c[nH]cn1)CCC1CCCC1 13795269 FURHOQAKGUZQLH-KBPBESRZSA-N 228.339 3.487 30 1 BGEF CC(C)=CC(=O)[C@@H](C)c1ccc(C)c(O)c1 14491207 WZHLEYQOLDOTEY-NSHDSACASA-N 218.296 3.339 30 1 BGEF endogenous,in-man C=C[C@@H]1C[C@H](C=C)OP(=O)(OCC(=C)C)O1 72136787 FTMYAPUNKLVZBB-SOSAQKQKSA-N 244.227 3.233 30 1 BGEF C[C@@H]1CC(=O)C=C2CC[C@@H]([C@]3(C)CO3)C[C@]21C 103290327 JUWSZKSYEBPKOW-DWZYQQQCSA-N 234.339 3.117 30 1 BGEF CC1=C[C@H]2[C@@H](CC1=O)[C@H](C)CC(=O)[C@@H]2C(C)C 231159697 CUTPLKRCZNTUMR-CKRXIKOQSA-N 234.339 3.019 30 1 BGEF C=CCCCCCCCC=C[C@H](O)[C@H](C)N 2356442384 AKXWKMQPINMKAE-KBPBESRZSA-N 225.376 3.167 30 1 BGEF C=C1CCC[C@]2(C)C=C3OC(=O)[C@H](C)[C@H]3C[C@@H]12 2356728096 YRYJELNGMLPXRY-MCYUEQNJSA-N 232.323 3.446 30 1 BGEF C=C(C)[C@@H](O)/C=C/C=C/c1ccccc1 7992208 QANYBZUFTNCOOT-ITGGSKLNSA-N 200.281 3.193 30 1 BGEF C=C(CC(=O)CC(C)C)[C@@H]1CCC(C)=CC1=O 13377311 WNGWJVAIJTYKCV-AWEZNQCLSA-N 234.339 3.473 30 1 BGEF biogenic C=Cc1cccc2c1C(=O)C(=O)C(C(C)C)=C2 13821905 UQFMUEPRQWOXID-UHFFFAOYSA-N 226.275 3.134 30 1 BGEF N#CC[C@]12N[C@H](Cc3ccccc31)c1ccccc12 26016962 YCPSGTGETFVEQO-SJORKVTESA-N 246.313 3.044 30 1 BGEF CC1=C(O)[C@](C)(CC2CCC2)SC1=O 101074677 UBWZCIIOPDQJRF-NSHDSACASA-N 212.314 3.041 30 1 BGEF C[C@@H](C#N)c1cccc(-c2nc3cccnc3[nH]2)c1 587187714 JYTBFQHOSODSOZ-JTQLQIEISA-N 248.289 3.252 30 1 BGEF C=C1C=C[C@@H](C(C)C)CC(=O)[C@@]2(CCC1)CO2 2356425984 VFPNKQAHPADWNP-UKRRQHHQSA-N 234.339 3.283 30 1 BGEF CC=CC#CC#CC=CC=CCCCOC(C)=O 2356454953 BSPUEFFDQHCPTB-UHFFFAOYSA-N 242.318 3.025 30 1 BGEF C[C@@H]1CCC[C@H]2CC(=O)C(C(C)(C)O)=C[C@@]21C 85848511 LYFRYUAWUBLCKH-JRPNMDOOSA-N 236.355 3.099 30 1 BGEF endogenous,in-man O=C(/C=C/c1ccc(F)cc1)c1occc1O 103194568 GOZYMIXXJXXRDW-ZZXKWVIFSA-N 232.210 3.020 30 1 BGEF C=C(C)[C@@H]1CC[C@@]2(C)C(=O)CC[C@H](C)[C@]2(O)C1 6037435 BMGSSZITOGSORO-MYZSUADSSA-N 236.355 3.099 30 1 BGEF biogenic,in-vitro C=C[C@](C)(O)CC/C=C(/C)C/C=C/C(C)(C)O 15213435 WPGYCMWKXXCJMW-YINYMCOLSA-N 238.371 3.367 30 1 BGEF endogenous,in-man C/C1=C\C(C)(C)/C=C\C(=O)[C@@H](C)CCCC1=O 238784177 NFDDZSDTJCSOCJ-CFWQQGQWSA-N 234.339 3.473 30 1 BGEF C=C[C@](C)(O)CCC=C(C)C[C@H](O)C=C(C)C 2356736109 TZCKNDPYYKEPHO-CABCVRRESA-N 238.371 3.367 30 1 BGEF C=C(C)[C@H]1CCCC(=C)[C@@H]2C[C@H](O)C(=C)[C@H]12 95914945 UHZRZWLFFTUUFB-CBBWQLFWSA-N 218.340 3.472 30 1 BGEF biogenic,in-vitro C=CC(C)(C)c1nc2cc(OC)c(C)cc2[nH]1 587954111 CWWUDKLYRGHGPW-UHFFFAOYSA-N 230.311 3.344 30 1 BGEF C=CC(C)(C)c1nc2ccc(F)cc2[nH]1 587954363 QSDQMGDAZLJLIX-UHFFFAOYSA-N 204.248 3.166 30 1 BGEF CC1=C[C@]23OC(C)(C)[C@H]2CC[C@@H](C)C3=CC1=O 2356802080 RVWCZVFWAKZZHV-XXLQHYSLSA-N 232.323 3.036 30 1 BGEF C=CCN1CC[C@]2(C)c3ccccc3C[C@H]1[C@@H]2C 26746052 DCDPEUIZVWTSCT-JQFCIGGWSA-N 241.378 3.397 30 1 BGEF C=C(C)[C@@H]1CC=C(C)/C(=N/CCCC(=O)O)C1 103195637 YQLBTWHGPOIMPG-ODHUPUGDSA-N 235.327 3.225 30 1 BGEF CC(C=Cc1ccc(C=CC(C)=NO)cc1)=NO 2356317739 OYPWIVGFUIGWPE-UHFFFAOYSA-N 244.294 3.413 30 1 BGEF CC=CC#CC#CC=CC=CC(=O)CCC 2356549671 CZNUMTXEDJMMNG-UHFFFAOYSA-N 212.292 3.051 30 1 BGEF CC1=CC(=O)C[C@@H](C)[C@]12CC[C@@H](C(C)(C)O)C2 14509777 SOAQZZHFSCGPCD-JMSVASOKSA-N 236.355 3.099 30 1 BGEF C=C1CC/C=C(\C)CC[C@@H](C(C)C)[C@H](O)[C@H]1O 85799323 NWWKYVMTWNUWHC-JZUSSUIMSA-N 238.371 3.057 30 1 BGEF Cc1cccnc1C#Cc1ccc2ccccc2n1 95588531 HTSIEEKOSSVZAA-UHFFFAOYSA-N 244.297 3.338 30 1 BGEF CC(=O)/C=C/C[C@]1(C)[C@@H]2C[C@H]3[C@@H](C2)[C@]31C 238751256 KMYVNUFAXPKQDY-YZLAJIPVSA-N 204.313 3.204 30 1 BGEF CC[C@@H](C)c1[nH]c2cccc([N+](=O)[O-])c2c1C#N 587647081 OYTQSBYNFYIPPY-MRVPVSSYSA-N 243.266 3.461 30 1 BGEF CC(=O)[C@@H]1CC(=O)C2=C(C)CC[C@H](C(C)C)[C@H]21 2356571653 XTEXPKPDBRKBPS-XUJVJEKNSA-N 234.339 3.163 30 1 BGEF C=C[C@@](C)(O)CCC=C(C)C[C@@H](O)C=C(C)C 2356736115 TZCKNDPYYKEPHO-LSDHHAIUSA-N 238.371 3.367 30 1 BGEF O=C(/C=C1\OCc2ccccc21)c1ccccc1 95603462 WWPOXRDUIFCTJB-YBEGLDIGSA-N 236.270 3.441 30 3 BGEF C=CC[C@@H]1C(=O)C[C@]2(C)[C@H](CC=C)C(=O)C[C@]12C 1619626 YBOIABIWEKRFCE-CZPYZCIJSA-N 246.350 3.329 30 1 BGEF C=CCc1cc(-c2cc(O)ccc2O)ccc1O 14680207 KNQRYSAELBJEAD-UHFFFAOYSA-N 242.274 3.199 30 1 BGEF biogenic,in-vitro O=C1/C(=C/c2ccccc2)Oc2ccc(O)cc21 53295211 SHURXQGYCUNAOB-ZSOIEALJSA-N 238.242 3.008 30 1 BGEF C=C1[C@H]2C[C@H](O)C[C@@]23CC[C@@H](C3)C1(C)C 2356504953 LRKPKMYNYQJRMD-FMSGJZPZSA-N 206.329 3.140 30 1 BGEF O/N=C(/CCc1ccccc1)C1(O)CCCCC1 100903650 TVHJIXPWADGYMQ-PEZBUJJGSA-N 247.338 3.145 30 3 BGEF CC/C=C\C(=O)c1coc2cc([N+](=O)[O-])ccc12 587279375 HQDOTPGPWRBNAW-ARJAWSKDSA-N 245.234 3.490 30 1 BGEF Cn1c(-c2cccnc2)c(C#N)c2ccccc21 116644320 FVMKJWZVAYTOIF-UHFFFAOYSA-N 233.274 3.112 30 1 BGEF C=C1C[C@H]2OC(=O)[C@H](C)[C@H]2C[C@H]2C(C)=CC[C@@H]12 169672548 ZBWWLHSOPWQYSL-MBJXGIAVSA-N 232.323 3.097 30 1 BGEF C/C(CO)=C1/C[C@]2(C)[C@@H](C)CCC[C@@H]2CC1=O 238741872 VDUFYEYMLATBTF-YITDPVCKSA-N 236.355 3.101 30 1 BGEF CC(C)=C1C(=O)CC[C@H](C)[C@@H]2C[C@H](O)C(C)=C12 2356404954 BZTZLJRCICGEAO-GAFUQQFSSA-N 234.339 3.019 30 1 BGEF CC1=CC[C@H](/C(C)=C\C(=O)CC(C)(C)O)CC1 14444311 VETWBGGPKLAQQE-SUIFULHWSA-N 236.355 3.409 30 1 BGEF N#Cc1cccc(/C=C/C(=O)c2ccc(N)cc2)c1 205808148 PLGNGMPQTNQKGZ-RUDMXATFSA-N 248.285 3.037 30 1 BGEF C=C1CC/C=C(/C)CC[C@@H](C(C)C)[C@H](O)[C@H]1O 238785936 NWWKYVMTWNUWHC-FZKPQRPZSA-N 238.371 3.057 30 1 BGEF C=CC(C)(C)c1nc2cc(OC)c(OC)cc2[nH]1 587954525 YPVQXIZXXMHRNF-UHFFFAOYSA-N 246.310 3.044 30 1 BGEF CC(=O)CCC=C(C)CC(=O)C=C(C)C 2356480730 NUIWGACHQJGHHS-UHFFFAOYSA-N 208.301 3.227 30 1 BGEF C=C[C@](C)(O)CC=C[C@](C)(O)CCC=C(C)C 2356558304 TZTZMOXGXUZNPW-LSDHHAIUSA-N 238.371 3.367 30 1 BGEF C=C[C@]1(C)CC[C@H]2[C@@H](C)C(=O)O[C@H]2[C@H]1C(=C)C 85664114 LMNJALUUIMXUQQ-WPLOAARJSA-N 234.339 3.343 30 1 BGEF endogenous,in-man Cc1ccc(NC(=O)ON=C2CCCC2)cc1 334457 HVOYKTIJNJWOGS-UHFFFAOYSA-N 232.283 3.474 30 3 BGEF O=C(O)[C@H](CS)Cc1ccc2ccccc2c1 26956696 DTGOMEJKRLLWSG-ZDUSSCGKSA-N 246.331 3.013 30 1 BGEF O=C(/C=C/c1ccc(O)cc1O)c1cccs1 169699076 HFJFEYAKDAKSFT-GQCTYLIASA-N 246.287 3.055 30 1 BGEF CC1=C[C@H]2c3c(C)coc3C[C@H](C)[C@H]2CC1=O 523041451 DFIGYGDRFSICLF-XXILOJSOSA-N 230.307 3.399 30 1 BGEF biogenic CC1=CC(=O)C2=C(C1=O)[C@@H](C(C)C)CC[C@@H]2C 2356565822 MRBHBDRZSNAKHO-GXSJLCMTSA-N 232.323 3.083 30 1 BGEF CC1(C)OC(/C=C/c2ccc(F)cc2)=CC1=O 34463724 YEDLFVCVWJSBSC-VMPITWQZSA-N 232.254 3.101 30 1 BGEF CCCCCC/C=C1\CC[C@H](CN(C)C)C1=O 1618768 BJLZVXADIMZPNG-KADHNRKRSA-N 237.387 3.424 30 1 BGEF CC1=C[C@@H]2C(C)(C)CCC[C@@]2(C)[C@H](O)CC1=O 137568608 URGWVRXTUFMUJH-UMVBOHGHSA-N 236.355 3.099 30 1 BGEF C#CC#CC/C=C/CCCCCC(C)=O 210621916 OUTVNYVJKIBGGD-BQYQJAHWSA-N 202.297 3.109 30 1 BGEF C=C1C[C@H](O)C=C(C)CC[C@@H](C(C)C)[C@@H](O)C1 2356335577 AQEMBMAEIOQGCX-ILXRZTDVSA-N 238.371 3.057 30 1 BGEF CCS/C(N)=N/c1cccc(C(F)(F)F)c1 13762691 IHBQCIFFNUJOBZ-UHFFFAOYSA-N 248.273 3.405 30 1 BGEF CC(C)=CCC[C@H](C)C1=CC(=O)C(C)=CC1=O 111456346 PLQATQBVXDUDIC-NSHDSACASA-N 232.323 3.393 30 1 BGEF C[C@@H]1C[C@@H]2O[C@]2(C)CCC(=O)[C@@H]2CC(C)(C)[C@H]12 2356453391 WKCFQJANAYCDAQ-YWDRAGGISA-N 236.355 3.195 30 1 BGEF CC1=C/C(=C\Nc2cc(C)ccc2O)C(=O)C=C1 104026386 YROVZZRMXFULBN-FMIVXFBMSA-N 241.290 3.082 30 3 BGEF C=C1C(=O)O[C@H]2[C@H]1CC[C@]1(C)C=CC=C(C)[C@H]21 85757690 MKOHVWLOSUZFFH-XFMPKHEZSA-N 230.307 3.017 30 1 BGEF biogenic C=C1CCC[C@@]2(C)CC[C@@H]3C(=C)C(=O)O[C@@H]3[C@H]12 95910269 XUYAKPXYKQEFPD-OSFYFWSMSA-N 232.323 3.241 30 1 BGEF biogenic,in-vitro C=C[C@@H]1C[C@H](C)C[C@H](C)[C@@H]1c1c(O)ccnc1O 473132467 SWIJWROLKBJDFO-XZUYRWCXSA-N 247.338 3.445 30 1 BGEF Fc1ccc2nc(C#Cc3ccccc3)[nH]c2c1 587953100 FOMASOZBAUGNLP-UHFFFAOYSA-N 236.249 3.102 30 1 BGEF CC1(C)C[C@H]2[C@H]1CC[C@@]1(C)O[C@H]1CC[C@@]2(C)O 3978585 KGYCKUADVHYVLM-CYHVGBIXSA-N 238.371 3.131 30 3 BGEF in-vitro C=CC[C@@H]1C(=O)CC2(C)CC(=O)[C@@H](CC=C)C12C 1619627 RJZMMPOEPPYYEM-CPWXYTRJSA-N 246.350 3.329 30 1 BGEF C=CCNC(=O)/C(C)=C(\C)c1ccc(Cl)cc1 2001135 FNXMXVMYHCIAGR-ZHACJKMWSA-N 249.741 3.436 30 1 BGEF CCCCCCCCC[C@@H]1OC(=O)C[C@H]1OC 103625384 BGVZUQFZXIYKSV-QWHCGFSZSA-N 242.359 3.458 30 1 BGEF C=CCCC/C=C\C=C/C#CC#CC#CC 205391132 DAXAIPLUUQVVDQ-DURLKXOLSA-N 208.304 3.485 30 1 BGEF C=C1[C@@H](OC=O)C[C@H]2[C@@H]3[C@H]1[C@]2(C)CC[C@@H]3C(C)C 2356849368 PVPCVTQZYIKZBU-HLZFJGBKSA-N 248.366 3.422 30 1 BGEF CC1=C/C(=C/N(C)c2ccccc2)C(=O)S1 12341370 OSPOLNHPFDNMAQ-LUAWRHEFSA-N 231.320 3.184 30 3 BGEF aggregator N#CCC[C@@H]1[C@@H](C#N)[C@@H]2C[C@H]1[C@H]1[C@H]2[C@H]2C=C[C@@H]1C2 17249591 DDUMOHTYVYQIDE-KXTCYNNFSA-N 238.334 3.134 30 1 BGEF CCOc1ccc(NC(=O)ON=C(C)C)cc1 45337253 HAJFSNBTGAUVST-UHFFFAOYSA-N 236.271 3.030 30 1 BGEF in-vivo C=C1CC[C@@H]2C(C)(C)CCC[C@@]23C(=O)OC[C@@H]13 85662092 SDYJYMBMSYYZIC-ZOWXZIJZSA-N 234.339 3.322 30 1 BGEF CC(C)Cc1[nH]c2cccc(F)c2c1C#N 587635984 WAQZRJLZVGPRGO-UHFFFAOYSA-N 216.259 3.377 30 1 BGEF C=C(C)[C@@H]1CC(=O)C2=CC(=O)C[C@H](C)[C@@]2(C)C1 85725510 CEDQTRQWBOXWOT-FIXISWKDSA-N 232.323 3.083 30 1 BGEF endogenous,in-man CC1=CCC[C@@]2(C)O[C@H]2CC(C)(C)C=CC1=O 253669737 UXYYOHOTPOQJPD-DZGCQCFKSA-N 234.339 3.426 30 1 BGEF C#CC(C)(C)C(=O)c1coc2ccccc12 587280583 KPYWDKTWZTVZSC-UHFFFAOYSA-N 212.248 3.275 30 1 BGEF CN1CCCCCC1=Nc1ccccc1C#N 263592287 APTHVXCDQVVXLT-UHFFFAOYSA-N 227.311 3.094 30 3 BGEF CCCCCCCCCCCC/N=C(\N)NC 43511638 GLRUOJOHUBLOHF-UHFFFAOYSA-N 241.423 3.441 30 1 BGEF CCCCCCCC#CC#C/C=C/C(C)=O 44352428 DKCBYRCFPIHFRI-BUHFOSPRSA-N 216.324 3.499 30 1 BGEF C=C(C)[C@@]1(O)CC[C@]2(C)CCC[C@](C)(O)[C@@H]2C1 238748860 FPODEVIVZNBUMT-CBBWQLFWSA-N 238.371 3.035 30 1 BGEF C=CCc1cccc2nc([C@@H](O)CC(C)C)[nH]c12 586902115 YUHJLRXCLGPONH-ZDUSSCGKSA-N 244.338 3.371 30 1 BGEF C=C(C)[C@H]1CC[C@@]2(C)CC[C@@H](O)[C@]2(C(C)=O)C1 100780384 YALFFHSIVPCNLF-LJISPDSOSA-N 236.355 3.099 30 1 BGEF endogenous,in-man CC(C)(C)[C@H]1CC(=NO)C[C@H](C(C)(C)C)N1 103221649 VMDPFHYVISWISZ-GHMZBOCLSA-N 226.364 3.029 30 1 BGEF CC1=CCC(=C(C)CO)C(=O)CC(C)=CCC1 2356531059 OYONKNQJEXRUQZ-UHFFFAOYSA-N 234.339 3.331 30 1 BGEF C=C1CC[C@H]2C[C@H]3[C@@H]1CC[C@@]31C[C@]21CC(=O)O 2356551270 XODFJJSIJDSDCR-SZWZKDINSA-N 232.323 3.234 30 1 BGEF C=C1C(=O)C[C@@H]2[C@@H]1CCC(C)=CCC[C@]1(C)O[C@H]21 2356624280 UIMHJAOZYISGTJ-XOUADPBQSA-N 246.350 3.426 30 1 BGEF CC/C=C/C=C/C=C/C=C/C=N/N=N/O 38811229 UNHSVZVRFBRLAW-STAPSFGWSA-N 205.261 3.448 30 1 BGEF in-vitro CC1=C2C(=O)[C@@H](C(C)C)CC[C@]2(C)[C@H](O)CC1 85851618 SZNXJUGSSOHWJM-LALPHHSUSA-N 236.355 3.099 30 1 BGEF in-man C=C[C@@](C)(O)CC[C@H]1C(C)=CC[C@H](C)[C@@]1(C)O 166570159 KBYUKRPGFMWKGT-BYNSBNAKSA-N 238.371 3.057 30 1 BGEF N#CCC[C@@H]1[C@H](C#N)[C@H]2C[C@H]1[C@H]1[C@H]3C=C[C@@H](C3)[C@@H]21 299815156 DDUMOHTYVYQIDE-QZUMUTTRSA-N 238.334 3.134 30 1 BGEF N#Cc1cccc2c1Oc1ccccc1N=C2 60122909 NUCVRTCVITYPEE-UHFFFAOYSA-N 220.231 3.415 30 1 BGEF CC1(C)C[C@@H]2[C@H]1CC[C@@]1(C)O[C@H]1CC[C@@]2(C)O 3978584 KGYCKUADVHYVLM-GGUBGCTKSA-N 238.371 3.131 30 3 BGEF in-vitro C(#C[C@@H]1C[C@@H]1c1c[nH]cn1)CCC1CCCC1 13795266 FURHOQAKGUZQLH-KGLIPLIRSA-N 228.339 3.487 30 1 BGEF CCCS/C(=N/c1ccccc1F)NC 28339243 CMNLVOMHMOLEHM-UHFFFAOYSA-N 226.320 3.176 30 1 BGEF CC1=CC(=O)[C@@H]2[C@@H]3[C@@H](C(C)C)CC[C@@]2(C)[C@H]13 104371022 CTFSUCDHRVDRKG-GZENYHORSA-N 218.340 3.450 30 1 BGEF in-man CC1=CC(=O)[C@@H]([C@@](C)(O)CC=CC(C)C)CC1 2356480780 PYNUQQKEADPDEB-ZFWWWQNUSA-N 236.355 3.265 30 1 BGEF C=CCCC[C@@]1(C)SC(=O)C(C)=C1O 13678474 IUTIQBKSTUBRJP-LLVKDONJSA-N 212.314 3.207 30 1 BGEF N#Cc1cc(F)ccc1-c1nc2ccccc2[nH]1 587159357 ZWECHIPZLKQZAT-UHFFFAOYSA-N 237.237 3.241 30 1 BGEF CC(=O)C=C(C)NC[C@@H]1[C@@H](CC(C)C)C1(C)C 2356734581 YVIJRNHZYQJESG-ZIAGYGMSSA-N 237.387 3.387 30 1 BGEF C=C(C)[C@@H]1CC(=O)[C@@H]2CC(=O)C[C@@H](C)[C@@]2(C)C1 85725505 FFYAYKVAOOBUBP-UQFNBPPOSA-N 234.339 3.163 30 1 BGEF endogenous,in-man CC1(C)/C=C\C[C@]2(C)O[C@H]2CC[C@]2(C)O[C@H]2C1 100783955 UFBUQKAQYQDEOE-AKAHQVFKSA-N 236.355 3.458 30 1 BGEF endogenous,in-man C=CCSC(=S)n1cnc2ccccc21 103287155 DIEAWLJCTGTSRJ-UHFFFAOYSA-N 234.349 3.089 30 1 BGEF COc1ccc(Cl)cc1C#Cc1cnsc1 587921070 QRKMENZSKHQGLG-UHFFFAOYSA-N 249.722 3.205 30 1 BGEF COc1cc(C=NCc2ccccc2)ccc1O 1857626305 XZTDMZANGPZBKV-UHFFFAOYSA-N 241.290 3.020 30 1 BGEF CC[C@H](O)c1ccc(-c2ccc(C#N)n2C)cc1 62224476 NNRGZBIPZOXVLB-HNNXBMFYSA-N 240.306 3.007 30 1 BGEF CC1=C[C@H]2c3c(C)coc3C[C@H](C)[C@@H]2CC1=O 238751222 DFIGYGDRFSICLF-KPXOXKRLSA-N 230.307 3.399 30 1 BGEF CC(C)Cc1[nH]c2cc(F)ccc2c1C#N 587635982 VXQLRGKVMGPBQD-UHFFFAOYSA-N 216.259 3.377 30 1 BGEF C=C1CC[C@H](C(C)C)[C@@H](O)C=C(C)CC[C@@H]1O 2356499165 WQYONXWMGBWUDV-ILXRZTDVSA-N 238.371 3.057 30 1 BGEF C#CC=CC[C@@H]1CC[C@@H](CCC#C)[C@H]2CCCN12 2356775645 OKKDNJLUTGCCGP-BRWVUGGUSA-N 241.378 3.222 30 1 BGEF C=CC[C@@H]1C(=O)C[C@@]2(C)CC(=O)[C@H](CC=C)[C@@]12C 299816103 RJZMMPOEPPYYEM-CRJCFHLZSA-N 246.350 3.329 30 1 BGEF C=C(CCC=C(C)CO)C1CCC(C)(O)CC1 2356501484 BWQLMOGBKVQMOL-UHFFFAOYSA-N 238.371 3.203 30 1 BGEF C=CCC(=O)OC/C=C(\C)CCC1=NCCCC1 14676718 IVAICSXGDIPJLL-JLHYYAGUSA-N 249.354 3.457 30 1 BGEF C=CCc1ccc(OC(=O)/C(C)=C\C)cc1 14680285 MFVAGPYVXQOKCL-WZUFQYTHSA-N 216.280 3.287 30 1 BGEF biogenic,in-vitro C=CCCC1=NCCc2cc(OC)c(OC)cc21 84669433 KGVVNZPXEONIGX-UHFFFAOYSA-N 245.322 3.015 30 1 BGEF C=C1C[C@@]2(O)O[C@@]3(C[C@H]2C(C)C)[C@H](C)CC[C@H]13 169303264 QRMPRVXWPCLVNI-NIFZNCRKSA-N 236.355 3.112 30 1 BGEF C=C(CC/C=C(/C)CO)C1CCC(C)(O)CC1 13377310 BWQLMOGBKVQMOL-XGICHPGQSA-N 238.371 3.203 30 1 BGEF biogenic,in-vitro C/C=C/C#CC#C/C=C/C=C\CCCCC=O 221253920 NDAPUMLRLFELHL-MRKYAXMKSA-N 226.319 3.441 30 1 BGEF CC(C)=CC(=O)c1coc2cc(C#N)ccc12 587279465 VNBUYIYCYKSQGG-UHFFFAOYSA-N 225.247 3.453 30 1 BGEF C=C1C(C(=O)OC)=C[C@]2(C)CC[C@@H]3[C@@H](C)CC[C@@]132 2356321280 CSZCXCASSYBWFQ-GCOQZVFPSA-N 246.350 3.488 30 1 BGEF C=C1C(C(=O)OC)=C[C@]2(C)CC[C@@H]3[C@@H](C)CC[C@]132 2356321281 CSZCXCASSYBWFQ-UXVLEFJLSA-N 246.350 3.488 30 1 BGEF C=C1C[C@H]2C=C[C@@]3(C[C@H](C)C[C@H]13)[C@@H]1[C@@H]2[C@]1(C)CN 2356766987 KDBRUEWLDRTUFV-VOSABWTPSA-N 243.394 3.376 30 1 BGEF C=C[C@](C)(O)C=CC=C(C)[C@@H](O)CC=C(C)C 2356784667 PPMNAEJKJPXLIR-GJZGRUSLSA-N 236.355 3.143 30 1 BGEF C=C(C)[C@@H]1CC(=O)C2=CC(=O)C[C@@H](C)[C@@]2(C)C1 85725509 CEDQTRQWBOXWOT-UEKVPHQBSA-N 232.323 3.083 30 1 BGEF endogenous,in-man N#CCC[C@@H]1[C@@H]2C[C@H]([C@@H]3[C@H]4C=C[C@H](C4)[C@@H]23)[C@@H]1C#N 195503125 DDUMOHTYVYQIDE-VTKFSBQNSA-N 238.334 3.134 30 1 BGEF C=C1CC(C#N)(C#N)[C@@H]2C[C@H]3CCC[C@H]3[C@H]12 5600836 FDQPAYVZNFVBJK-LPWJVIDDSA-N 212.296 3.032 30 1 BGEF CC(C)=C1C[C@]2(C)C(=CC1=O)CC[C@@H](O)[C@H]2C 14450302 TVDMUSYVWJLIDK-YVLXSGLVSA-N 234.339 3.019 30 1 BGEF biogenic CC1=C[C@@H](O)[C@@H]([C@]2(C)CCCC2(C)C)CC1=O 85842623 IUKKWXIPRURLDK-LNSITVRQSA-N 236.355 3.099 30 1 BGEF C=C[C@@H](C)C[C@]1(C)SC(O)=C(C)C1=O 101402672 ATJXHWPZFVEADB-HQJQHLMTSA-N 212.314 3.063 30 1 BGEF O=C1C=C2CCCC[C@H]2[C@@H]1c1ccccc1 103288430 CXDHOTZTUQLMBH-HIFRSBDPSA-N 212.292 3.470 30 1 BGEF C=C1CC=C[C@@]2(C)C[C@H]3OC(=O)[C@H](C)[C@H]3C[C@H]12 231157610 VHANAQXZAJSCOS-HVNMYJMUSA-N 232.323 3.097 30 1 BGEF C=C(C)[C@@H]1CC[C@@H](C)C2=C(C1)[C@](C)(O)CC2=O 14454021 DMGJIXSDTIWKOG-UEKVPHQBSA-N 234.339 3.019 30 1 BGEF biogenic C=C[C@](C)(O)C/C=C/[C@@](C)(O)CCC=C(C)C 15213425 TZTZMOXGXUZNPW-BWSMEOODSA-N 238.371 3.367 30 1 BGEF C[n+]1ccc(/N=C/c2cccc3ccccc23)cc1 26837324 UPRHWWKLJYKVKT-UHFFFAOYSA-N 247.321 3.415 30 1 BGEF Cc1c(-c2n[nH]cc2C#N)oc2ccccc12 49053326 PZMFKYAEYAQHLS-UHFFFAOYSA-N 223.235 3.003 30 1 BGEF CC(C)(C)/N=C1\C(=O)[C@@]2(C)CC[C@H]1C2(C)C 102931759 SFXLZDUFGRLXCV-CEKSMHEOSA-N 221.344 3.251 30 1 BGEF C=CCN(CC=C)C(=N)C(Cl)(Cl)Cl 169323826 QKTIOBAFAVBKEC-UHFFFAOYSA-N 241.549 3.008 30 1 BGEF CCCCCCc1ccc(C(=O)[C@@H]2CO2)cc1 14969071 MHFYINHLDHITER-AWEZNQCLSA-N 232.323 3.391 30 1 BGEF in-vivo C=C1C(=O)O[C@@H]2C[C@@]3(C)CCC[C@H](C)[C@H]3C[C@H]12 238781041 JXQAFXNUAFUSQA-QUQNROOTSA-N 234.339 3.321 30 1 BGEF CC1(C)C=CC(=O)CC[C@H]2O[C@]2(C)CCC1 2356528021 RUDQCXIBOPSRCQ-TZMCWYRMSA-N 222.328 3.260 30 1 BGEF CC1=CCC(C)(C)C=CC[C@@]2(C=O)O[C@H]2CC1 2356603047 VVWHSNOLOHXZLS-ZFWWWQNUSA-N 234.339 3.426 30 1 BGEF COC1=C[C@]2(C)CCC(C(C)C)=CC2=CC1=O 14493312 CSLOJDYGJYLHDO-HNNXBMFYSA-N 232.323 3.408 30 1 BGEF biogenic CC[C@@H](C)C[C@@]1(C)SC(O)=C(C)C1=O 101418036 CPLSPMXXSLTIHS-RDDDGLTNSA-N 214.330 3.287 30 1 BGEF C#CC[C@](O)(c1ccccc1)C1CCCCC1 2356651093 BMGIWLRHVACTEJ-INIZCTEOSA-N 228.335 3.478 30 1 BGEF O=C1/C(=C/c2ccccc2)Cc2cccc(O)c21 1761949 BEUKSOLRWLXYDB-UKTHLTGXSA-N 236.270 3.215 30 1 BGEF C=C[C@]1(C)C[C@@H]2OC(=O)C(C)=C2C[C@@H]1C(=C)C 15150148 IEOHWPUTLCTSCQ-VNHYZAJKSA-N 232.323 3.407 30 1 BGEF biogenic CC1=C2C(=O)[C@H](C(C)C)CC[C@@]2(C)CC[C@H]1O 238769188 XWZCIIBBVRVHKN-ZOWXZIJZSA-N 236.355 3.099 30 1 BGEF C=C(C)C(=O)[C@H]1CC[C@]2(O)CCC[C@H](C)[C@@]12C 238770272 VMHVLIDJNCCRLE-MYZSUADSSA-N 236.355 3.099 30 1 BGEF C=C1CC[C@]2(O)C(=C)CC[C@@H]3[C@H]([C@@H]12)C3(C)C 14856230 HSEADIKPAODSBI-BHPKHCPMSA-N 218.340 3.306 30 1 BGEF biogenic C=C1CC(C#N)(C#N)[C@@H]2C[C@@H]3CCC[C@H]3[C@H]12 31852443 FDQPAYVZNFVBJK-LOWDOPEQSA-N 212.296 3.032 30 1 BGEF C=C1C(=O)O[C@H](C)C[C@@H]1C1CCCCC1 45253845 HQFXLTQKXYJLIY-SKDRFNHKSA-N 208.301 3.075 30 1 BGEF N#CCC[C@@H]1[C@H](C#N)[C@H]2C[C@H]1[C@@H]1[C@H]3C=C[C@@H](C3)[C@H]21 299815154 DDUMOHTYVYQIDE-JYGXICSKSA-N 238.334 3.134 30 1 BGEF C/C(=N\O)c1cc(-c2ccc(F)cc2)ccc1O 299864134 MAJWOOZBPICNGY-CXUHLZMHSA-N 245.253 3.397 30 1 BGEF C=C[C@@]1(C)C=C2NC(=O)C(C)=C2C[C@@H]1C(=C)C 2356397913 KHYMPNHQRKVOEQ-DOMZBBRYSA-N 229.323 3.105 30 1 BGEF CC(=O)C=CC[C@H](C)[C@H]1CCC(C)=CC1=O 2356454226 DBDPAGHPZRJFOC-WCQYABFASA-N 220.312 3.083 30 1 BGEF C=C1CC[C@H]2CC[C@@H](CO)[C@@]23C[C@H]1C3(C)C 2356469732 YLWPFKYITUSRND-RMRHIDDWSA-N 220.356 3.387 30 1 BGEF C=C1C(=O)O[C@@H]2C[C@]3(C)CCC[C@H](C)[C@H]3C[C@H]12 2356501668 JXQAFXNUAFUSQA-VQUITAKWSA-N 234.339 3.321 30 1 BGEF CCCCCCCCOC[C@@H](O)COC(C)C 1630613 HAXFADIBYNUWJM-CQSZACIVSA-N 246.391 3.149 30 1 BGEF CC(C)=CC(=O)C[C@H](C)c1ccc(C(=O)O)cc1 14619040 KXTXCSBHGZDHPM-NSHDSACASA-N 246.306 3.414 30 1 BGEF biogenic,in-vitro C=C1[C@@H](CC(N)=O)[C@H]1CCCCCCCC 42764205 LEGBFANSOIRDAX-QWHCGFSZSA-N 223.360 3.415 30 1 BGEF C=C(C)[C@@H]1CC[C@]2(C1)[C@H]1CO[C@@]2(C)CC(=O)C1 104371914 YHIWYGHFGRMQMO-UXOAXIEHSA-N 234.339 3.117 30 1 BGEF endogenous,in-man C=CCCC/C=C/C=C\C#CC#CC#CC 205391161 DAXAIPLUUQVVDQ-JFWUUKMISA-N 208.304 3.485 30 1 BGEF CC(C)c1c(CC#N)[nH]c2cccc(F)c12 587635528 MWJHSFNOCVNGEQ-UHFFFAOYSA-N 216.259 3.496 30 1 BGEF C(#Cc1ccc2ccccc2n1)c1ccccn1 95588198 IRXAEZFKUGBIIX-UHFFFAOYSA-N 230.270 3.030 30 1 BGEF C=C1O[C@H]2CC(=C)[C@H]3CC[C@@](C)(O)[C@@H]3C[C@@H]2C1=C 238740303 KWWMYEJFOYMMQP-DGXTUMSLSA-N 246.350 3.199 30 1 BGEF Cc1nc2ccccc2n1/N=C/c1cccs1 8377290 YYCLJBHONVLKLQ-NTEUORMPSA-N 241.319 3.288 30 1 BGEF CC(=O)C1(/C(C)=C\C2=CC(=O)C(C)(C)C2)CC1 85916682 QZJJJZCOOVXKLT-YFHOEESVSA-N 232.323 3.227 30 1 BGEF biogenic,in-vitro C=C[C@@H]1C[C@@](O)(C(=C)C)CC[C@@]1(C)C=C 212322219 IIYKJSHTLBARGR-MGPQQGTHSA-N 206.329 3.472 30 1 BGEF C=C1CCC=C(CO)C(=O)C[C@@H]2[C@@H]1C[C@]2(C)CC 2356331592 KWCWLVHJYZEJAQ-FMKPAKJESA-N 248.366 3.267 30 1 BGEF C=C1O[C@@H]2C[C@]3(C)CCCC(=C)[C@@]3(O)C[C@@H]2C1=C 2356484635 BRGBGTWCHCTWLY-WCVJEAGWSA-N 246.350 3.343 30 1 BGEF C=C1[C@@H](O)C[C@@H]2[C@@H]1CC(C)(C)C[C@H]1C[C@]12C 39040254 RQNUKTXYMSOBCN-IHWVXMPCSA-N 220.356 3.386 30 1 BGEF C=C(C)[C@H]1CC[C@]2(C)CC(=O)C=C(C)[C@@H]2C1=O 136164068 RHQXQCXSOLMDEY-UMVBOHGHSA-N 232.323 3.083 30 1 BGEF C=CCc1cccc2nc(CC3CC3)[nH]c12 587959488 NTSJZFJEQSPAQU-UHFFFAOYSA-N 212.296 3.244 30 1 BGEF C=C(C)[C@@H]1C[C@H](O)[C@@H](C)c2cc(O)c(C)cc21 2356407064 OOQATJJYWGXKAO-PGUXBMHVSA-N 232.323 3.228 30 1 BGEF C=C(C)[C@H](O)CC[C@](C)(O)[C@H]1CC=C(C)CC1 14859848 IKHCIHJARXBOEP-ZNMIVQPWSA-N 238.371 3.201 30 1 BGEF biogenic C=C1C(=O)O[C@@]23C=C(C)CC[C@H]2[C@H](C)CC[C@@H]13 70454046 FRCNDCUEKFCJQI-HTUGSXCWSA-N 232.323 3.241 30 1 BGEF biogenic,in-vitro C=C/C=C/C#CC(=S)/C=C\C(=S)C#CC 238787793 PCXHNFYOAGHLJL-QDNCIWMKSA-N 230.357 3.051 30 1 BGEF C=CCCC/C=C/C=C/C#CC#CC#CC 85836501 DAXAIPLUUQVVDQ-FYNKLQMPSA-N 208.304 3.485 30 1 BGEF CCc1ccc2c(c1)CCC1=C(C)C(=O)CCN12 13580712 FEJNMEWMOGJDIN-UHFFFAOYSA-N 241.334 3.248 30 1 BGEF C[C@H]1C[C@@H](C)[C@@H](C#N)N(C)c2ccccc21 17249276 LBEAHYPHXKKJKU-MISXGVKJSA-N 214.312 3.158 30 1 BGEF CC1=C2C(=O)c3c(C)coc3C(=O)[C@@H](C)[C@H]2CC1 238751042 JREPATBWOYVYLR-VHSXEESVSA-N 244.290 3.330 30 1 BGEF CC1(C)CC(=O)C=C(C#CC2(O)CCCCC2)C1 61921115 PYNFTEAWDMDLED-UHFFFAOYSA-N 246.350 3.001 30 3 BGEF C=C(C[C@H](O)C=C(C)C)[C@@H]1CC[C@@](C)(O)[C@@H]1C 13386877 NESCXAXMYHAAIV-APIJFGDWSA-N 238.371 3.057 30 1 BGEF biogenic C=C1C(=O)O[C@@H]2C[C@]3(C)CCC[C@@H](C)[C@H]3C[C@H]12 95912030 JXQAFXNUAFUSQA-DECHUDPFSA-N 234.339 3.321 30 1 BGEF biogenic,in-vitro C/N=C1/CC(C)(C)c2cc(Cl)ccc2N1 96908694 OJSQQNBZGAVCRJ-UHFFFAOYSA-N 222.719 3.462 30 1 BGEF CC(C)=C1C[C@@]2(C)C(=CC1=O)CC[C@H](O)[C@@H]2C 238769374 TVDMUSYVWJLIDK-VZJVUDMVSA-N 234.339 3.019 30 1 BGEF CC[C@@H]1C[C@@H]2[C@@H]3CCC(=O)C=C3CC[C@]2(C)[C@@H]1O 40802068 ABTDALAHKLLQIZ-YBUXEROVSA-N 248.366 3.099 30 1 BGEF N#CCN(Cc1cccc(F)c1)c1ccccc1 72971376 XMIHOTYMXDUSON-UHFFFAOYSA-N 240.281 3.356 30 1 BGEF C=C1CC/C=C(\C)CC[C@@H](C(C)C)[C@H](O)[C@@H]1O 85799325 NWWKYVMTWNUWHC-MSYXNMSRSA-N 238.371 3.057 30 1 BGEF C=C[C@@]12CCCC[C@H]1C/C(=C(/O)OC)C(=O)C2 103129610 LKKIRWFJCSZMQZ-BCEWXUAWSA-N 236.311 3.128 30 1 BGEF CC(C)(C)NC[C@@H](S)c1ccccc1 621431237 MWPQJWPRTWTLDJ-LLVKDONJSA-N 209.358 3.046 30 1 BGEF C=C1CC[C@](C)([C@@H]2C[C@@H]3C(CO)=C[C@@H]32)[C@@H]1C 2356428636 RYPZBJYEIAAUNP-LFHLZQBKSA-N 218.340 3.163 30 1 BGEF C=C1CCC[C@]2(C)Cc3occ(C)c3C[C@@]12O 15160002 RAUXZHDMRMHNGJ-HUUCEWRRSA-N 232.323 3.164 30 1 BGEF biogenic C/C1=C/CC[C@@]2(C)O[C@@H]2CC(C)(C)/C=C\C1=O 96328229 UXYYOHOTPOQJPD-UKBZHASKSA-N 234.339 3.426 30 1 BGEF COc1ccc(Cl)cc1C#Cc1ccsn1 587920177 CQYBENHUWFSDSZ-UHFFFAOYSA-N 249.722 3.205 30 1 BGEF C=C1CCCC(C)(C)[C@@H]1CC/C(=C/CO)CO 1857566894 PEZOHFQOYWDCAG-YLHGKKIISA-N 238.371 3.060 30 1 BGEF C=CC[C@@](C)(N)c1nc2cc(Cl)cc(C)c2[nH]1 587257523 DHISTVIAWNUZAQ-CYBMUJFWSA-N 249.745 3.275 30 1 BGEF CC1=CC(=O)C[C@@]2(C)CC[C@H](C(C)(C)O)C=C12 14452373 BCAFBFZQLANMLN-XHDPSFHLSA-N 234.339 3.019 30 1 BGEF biogenic C(=N/c1cccnc1)\c1ccnc2ccccc12 36382790 QVAZBXGRWCIUSC-VCHYOVAHSA-N 233.274 3.380 30 1 BGEF C=C1CC[C@H](C(C)C)/C=C/[C@@](C)(O)CC[C@@H]1O 95485896 NSIOXFVMCTYIOU-URVPNVIXSA-N 238.371 3.057 30 1 BGEF biogenic,in-vitro N#Cc1cccc(-n2ccc(-c3ccccn3)c2)c1 13582313 VWIHRRSEESXDSS-UHFFFAOYSA-N 245.285 3.411 30 1 BGEF in-vivo C=C(C)/C=C/c1c(OC)c2ccccc2[nH]c1=O 15261878 KOFVUVJGUULEKJ-CMDGGOBGSA-N 241.290 3.126 30 1 BGEF endogenous,in-man CC1(C)C=CC(=O)CC[C@@H]2O[C@]2(C)CCC1 2356528018 RUDQCXIBOPSRCQ-GXTWGEPZSA-N 222.328 3.260 30 1 BGEF O=C(O)[C@H](CS)CCCCc1ccccc1 13472470 VYJJMVWXARXBQC-LBPRGKRZSA-N 238.352 3.030 30 1 BGEF C=C1C(=O)O[C@@H]2CC(=C)[C@]3(CCC[C@H]3C)C[C@@H]12 14685239 YWGQGEZTRMMMBF-MSELDCQNSA-N 232.323 3.241 30 1 BGEF biogenic N#Cc1ccc(C2(n3ccnc3)CCCC2)cc1 28638470 ASTKCJOLFBZJKC-UHFFFAOYSA-N 237.306 3.072 30 1 BGEF Cc1sc2c(c1C)CCN[C@]2(C)C[C@H](C)C#N 963020951 ISPHVMWBPNOTPP-LKFCYVNXSA-N 248.395 3.276 30 1 BGEF CC1=CC[C@@]2(CC1=O)[C@@H](C)CC(=O)[C@@H]2C(C)C 13307508 SXHQJMKFQDMBIW-TUKIKUTGSA-N 234.339 3.163 30 1 BGEF in-man C/C=C\C#CCC/C=C\C=C\C(=O)NCC(C)C 40379118 NFFPFDVUIWBNTI-JTERUZMQSA-N 245.366 3.231 30 1 BGEF CC1=CC[C@@]2(C)C(=C(C)C(=O)[C@@H](O)[C@@H]2C)CC1 137550872 FUPXAIKSURJKNB-TUKIKUTGSA-N 234.339 3.019 30 1 BGEF C=CC[C@H](C(=O)c1ccc(C)cc1)N1CCCC1 13682199 JREHJCKVQXOMFL-OAHLLOKOSA-N 243.350 3.218 30 1 BGEF CC1=C2CC[C@]3(C)[C@@H](C[C@@H](C)[C@H]3O)[C@@H]2CCC1=O 29475906 MQUWOZCDCNPFTM-CBMNGVKYSA-N 248.366 3.099 30 1 BGEF Cc1c([C@H](C)C#N)[nH]c2cccc([N+](=O)[O-])c12 587646719 ISPUEEYGUSBQBH-SSDOTTSWSA-N 229.239 3.012 30 1 BGEF CC1=CCC(C)(C)C=CC(=O)C(C)=C[C@@H](O)C1 1857552720 NBVYFPSAUFQMAK-ZDUSSCGKSA-N 234.339 3.185 30 1 BGEF C=C(C)[C@H]1CCC(C)=C1COC(=O)CC 281437 CEODGTBJXQTGMY-LLVKDONJSA-N 208.301 3.242 30 1 BGEF C=C(C)[C@H](CC[C@@H](C)O)CC1=C(C)CCC1=O 14694272 YTYICJAIECLVEQ-CHWSQXEVSA-N 236.355 3.409 30 1 BGEF biogenic C=C[C@@H](O)/C=C/C#C/C=C/C=C/CCCC 238764044 JRDMGDZXFPPPTM-SQISJEPZSA-N 216.324 3.396 30 1 BGEF CN/C(=N\c1ccccc1F)SC(C)C 28132612 CFPGVRMIJFXZSX-UHFFFAOYSA-N 226.320 3.174 30 1 BGEF C=C(C)[C@@H]1CCC2=C3[C@@H](C1)[C@@H](C)C[C@H]3OC2=O 34182095 BSRYHIYUENCLOJ-JULQROHOSA-N 232.323 3.241 30 1 BGEF C=C(C)[C@H]1CC(=O)c2cc(Cl)ccc2O1 40828240 PFEIFKWMEBHCAL-GFCCVEGCSA-N 222.671 3.250 30 1 BGEF C=C1[C@](C)(c2ccc(C)c(O)c2)CC[C@@]1(C)O 40860081 UKENRQMAJOZKQQ-HUUCEWRRSA-N 232.323 3.059 30 1 BGEF CC=C(C)[C@H]1SC(=O)C(C)=C(O)[C@@H]1C 2356416274 OAVVXAWSFUKBGM-OIBJUYFYSA-N 212.314 3.063 30 1 BGEF CC(=O)C=CC1=C(C)[C@@H]2CC[C@H](C)[C@H]2[C@H](C)O1 2356619076 SRSZWWZBWAHJNN-STAGSXQKSA-N 234.339 3.487 30 1 BGEF C=C(C)C#Cc1cc(Cl)ccc1OC 587899077 RKZLKYIDOFIMPG-UHFFFAOYSA-N 206.672 3.276 30 1 BGEF CC1=C2C(=O)[C@H](C)C(C)=C2C=C(CC(=O)O)CC1 2356515010 VXWHDXWEQVLWLW-SNVBAGLBSA-N 246.306 3.033 30 1 BGEF C=C1C[C@@H]2CC[C@H](C)[C@]23C[C@@](C)(C(=O)O)C[C@H]13 2356721590 JVNVDDIKCOCXJF-ZZVJUGKHSA-N 234.339 3.480 30 1 BGEF CCCCCCN/C(C)=C1\C=CC=CC1=O 104005833 PYBHHCSEGLQEHL-OUKQBFOZSA-N 219.328 3.125 30 3 BGEF C=C1C[C@@H](c2cccc(C(F)(F)F)c2)OC1=O 653901726 IUWNYAWBXJHBNB-JTQLQIEISA-N 242.196 3.250 30 1 BGEF C=C(C(=O)O)[C@@H]1CC[C@]2(C)CCC=C[C@H]2C1 2356433474 KJSAXQYTHNRIBJ-DYEKYZERSA-N 220.312 3.400 30 1 BGEF CC(C)=C1C[C@@]2(C)[C@H](CC1=O)C(=O)CC[C@H]2C 2356791030 GHXHIYNRINKUAN-IXPVHAAZSA-N 234.339 3.307 30 1 BGEF ON=C(CCc1ccccc1)c1ccccc1 254120040 OSKBGHUKNHYYMH-UHFFFAOYSA-N 225.291 3.498 30 3 BGEF CCc1cccc(/C(=N/O)c2ccccc2)c1O 28761191 TUPLFFZMDOCJBI-JQIJEIRASA-N 241.290 3.181 30 1 BGEF Cc1ccc2c3c([nH]c2c1)C(=O)/C(=C/O)CCC3 82154652 HZKAQNXGKMWBKI-CSKARUKUSA-N 241.290 3.437 30 1 BGEF C/C=C/C#CC#C/C=C\C=C/CCCCCO 217827956 YAJHFXRUFPTBLG-LAFHTPKLSA-N 228.335 3.234 30 1 BGEF CC1=C[C@@H]2c3c(C)coc3C[C@@H](C)[C@H]2CC1=O 2356391790 DFIGYGDRFSICLF-FXAINCCUSA-N 230.307 3.399 30 1 BGEF C=C(C)[C@H]1[C@H]2C[C@@H](C)CC[C@H]2C=C[C@H]1O 2356792273 JNLCTWKBTBOGQR-YHQUGGNUSA-N 206.329 3.162 30 1 BGEF C=C1[C@H](O)C[C@H]2[C@H]3CC[C@@H](C)[C@@]12CC3(C)C 1493657 PXTIGSAHLHFBJH-APACUCGBSA-N 220.356 3.386 30 1 BGEF biogenic CC1=CC[C@@]2(CC1=O)[C@H](C)CC(=O)[C@@H]2C(C)C 13307506 SXHQJMKFQDMBIW-BYCMXARLSA-N 234.339 3.163 30 1 BGEF in-man C=C(C)[C@@H]1CC[C@]2(C)C[C@H](O)C(=O)C(C)=C2C1 2356484130 JQVYRXJDFBMIFN-OSAQELSMSA-N 234.339 3.019 30 1 BGEF C#CCN1CCC(CCc2ccc(F)cc2)CC1 1857588325 VCVBCFGQRNJDBO-UHFFFAOYSA-N 245.341 3.104 30 1 BGEF CC1=CCC[C@]2(C)O[C@H]2CC(C)(C)C=C[C@@H]1O 2356788400 WYTCGROMPOXACM-YDHLFZDLSA-N 236.355 3.217 30 1 BGEF CC(C)=CCC[C@@](C)(O)[C@H]1CC=C(C)C(=O)C1 14444306 VEWUIXZHFZRBOM-DZGCQCFKSA-N 236.355 3.409 30 1 BGEF biogenic CC1=C(c2ccc(F)c(F)c2)/C(=N/O)CC1 35874624 IWIISAICFPMOQQ-RVDMUPIBSA-N 223.222 3.362 30 1 BGEF N#Cc1c(-c2ccccc2)cc(S)sc1=N 101472650 MBNDQNPSUSOLAG-UHFFFAOYSA-N 244.344 3.055 30 1 BGEF C=CCCCCC[C@H](O)C=CC#CC#CC#CC 2356559656 HNLFNCBZIGWOKP-KRWDZBQOSA-N 240.346 3.070 30 1 BGEF O=C(O)c1cc(CS)ccc1-c1ccccc1 95573660 BITSNFAHNIBYST-UHFFFAOYSA-N 244.315 3.482 30 1 BGEF CCCCCCc1ccc(C(=O)[C@H]2CO2)cc1 14969075 MHFYINHLDHITER-CQSZACIVSA-N 232.323 3.391 30 1 BGEF in-vivo CC1=C[C@H]2[C@H](C)C(=O)C[C@H]2[C@@H](C(C)C)CC1=O 146183683 ROSDDZANWHTUAA-RNJOBUHISA-N 234.339 3.019 30 1 BGEF CCC[C@@H](O)CC(=O)/C=C/c1ccc(C)cc1 1911585215 SDGNEBWPFPEVES-ATWMFIQVSA-N 232.323 3.128 30 1 BGEF C=C1CC[C@](C)(c2ccc(CO)cc2)[C@@H]1C 1616755 GQYXXDVCGIBQDX-DOMZBBRYSA-N 216.324 3.423 30 1 BGEF biogenic Cc1cnc2[nH]c(-c3ccc(C)c(C#N)c3)nc2c1 587189057 XCEOMODHMRDCCO-UHFFFAOYSA-N 248.289 3.113 30 1 BGEF C=CCC(C)(C)c1nc2c(Cl)ccnc2[nH]1 587954539 ZEVLMRFUSZEUBK-UHFFFAOYSA-N 235.718 3.465 30 1 BGEF CCCNc1nc(C)c(C#N)c2ccccc12 653723644 WOWWJMKEQBCTKH-UHFFFAOYSA-N 225.295 3.237 30 1 BGEF Cc1cc(C(=O)/C=C/c2cccc(O)c2)c(C)o1 7910196 LYACWKFMGYYNQQ-VOTSOKGWSA-N 242.274 3.498 30 1 BGEF C=C1[C@H](O)CC[C@@]2(C)Cc3occ(C)c3C[C@@H]12 15221638 HNLZDVOBUHDCLO-GUTXKFCHSA-N 232.323 3.020 30 1 BGEF biogenic CC1(C)CCC[C@@]2(C)CC[C@](C)(O)C[C@@H]3O[C@]312 33829859 BSLAWKTUBVGEDH-CYUUQNCZSA-N 238.371 3.275 30 1 BGEF biogenic,in-vitro C=C1CC[C@H]2[C@@H]([C@H]3C(C)=COC(=O)[C@@H]13)C2(C)C 85775180 GBFVXZXYIVKIBN-CYDGBPFRSA-N 232.323 3.302 30 1 BGEF C=C[C@@](C)(O)CCC=C1CO[C@H](C=C(C)C)C1 2356746902 YKZPUSGDQAOOKT-HUUCEWRRSA-N 236.355 3.385 30 1 BGEF C=C1CCC[C@@]2(C)C[C@@H]3OC(=O)[C@@H](C)[C@H]3C[C@H]12 2123455 YYJRTJYCOMIDIC-PFFFPCNUSA-N 234.339 3.321 30 1 BGEF endogenous,in-man CC1(C)C[C@H](c2ccc(C#N)cc2)c2cn[nH]c21 95584561 JEQXJADJNHKUFF-GFCCVEGCSA-N 237.306 3.095 30 1 BGEF CC1(C)C=CC[C@]2(C)O[C@@H]2CC[C@@]2(C)O[C@H]2C1 2356415728 UFBUQKAQYQDEOE-PAPYEOQZSA-N 236.355 3.458 30 1 BGEF N#Cc1ccc2c(c1)Cc1cc([N+](=O)[O-])ccc1-2 1704164 BWTATXXIHOYVKZ-UHFFFAOYSA-N 236.230 3.038 30 1 BGEF C=C1CC[C@@H]2[C@H](C)C(=O)O[C@@H]2[C@H]2C(C)=CC[C@@H]12 169649812 GAXXKXAIPLVKGB-HPCHECBXSA-N 232.323 3.097 30 1 BGEF CC(C)=C1C[C@@]2(C)C(=CC1=O)[C@@H](O)CC[C@@H]2C 238731570 QGDQQZUIBMCIHH-VZJVUDMVSA-N 234.339 3.019 30 1 BGEF CS/C(N)=N/c1ccc(C(F)(F)F)cc1 13762693 AREFUTJOMYXTKD-UHFFFAOYSA-N 234.246 3.015 30 1 BGEF C=C1C(=O)O[C@H]2[C@@H]1CCC1=CCC[C@H](C)[C@@]12C 34117500 MCWIBQXSOJFMTL-AETLKFDBSA-N 232.323 3.241 30 1 BGEF N#CCN(Cc1ccccc1F)c1ccccc1 72970196 CUFXJIDPBJYFMN-UHFFFAOYSA-N 240.281 3.356 30 1 BGEF CC(C=C[C@H]1C(C)=CC(=O)CC1(C)C)=CC(=O)O 2356634369 FCRACOPGPMPSHN-ZDUSSCGKSA-N 248.322 3.135 30 1 BGEF CN(C)C[C@@]1(C)CC/C(=C\c2ccccc2)C1=O 6442102 CPNICNWGULREKX-WSYSLRRZSA-N 243.350 3.001 30 1 BGEF O=C(O)CCc1ccc(C#CC2CCCC2)cc1 653719878 DAGZZCKKEKNMKE-UHFFFAOYSA-N 242.318 3.246 30 1 BGEF C=C1CCC[C@]2(C)CC[C@@](O)(C(C)(C)O)C[C@H]12 2356686272 YTDHRNHFSMXJLO-YUELXQCFSA-N 238.371 3.035 30 1 BGEF C=C1C(=O)C[C@H]2C(C)(C)CCC[C@]2(C)[C@H]1C=O 38436235 UFSREDIJTQBLNL-CORIIIEPSA-N 234.339 3.163 30 1 BGEF S[C@H]1Nc2cc(Cl)ccc2S1 45258290 KLBYCJBGZRJSFY-SSDOTTSWSA-N 203.719 3.071 30 1 BGEF C=C1CC[C@@H](O)C(C)(C)/C=C\[C@H](C)CCC1=O 169291524 SSWUIXHLQYARRL-RHWCBERRSA-N 236.355 3.265 30 1 BGEF C=C1Cc2cocc2[C@@H](O)[C@@H]2CC(C)(C)C[C@H]12 238766782 MXGHRCUEQWHPNC-BZPMIXESSA-N 232.323 3.478 30 1 BGEF CC1=CCC(C)(C)C=CC(=O)C(C)=C[C@H](O)C1 299806955 NBVYFPSAUFQMAK-CYBMUJFWSA-N 234.339 3.185 30 1 BGEF C=C(C)[C@@H]1CC[C@]2(C)CO[C@]3(C)C=CO[C@]23C1 2356665024 QZRSTGGOMXWMDX-KBUPBQIOSA-N 234.339 3.441 30 1 BGEF COC1=C(c2ccccc2)C(=O)c2ccccc21 404890 KYDYZFPREQVUJP-UHFFFAOYSA-N 236.270 3.398 30 1 BGEF C[C@H](C#N)c1cccc(-c2nc3cccnc3[nH]2)c1 587187716 JYTBFQHOSODSOZ-SNVBAGLBSA-N 248.289 3.252 30 1 BGEF CCCC/C=C/C#CC#CCCCCC(=O)O 14639200 VLPCQMHZJMTSIW-AATRIKPKSA-N 232.323 3.385 30 1 BGEF C=C[C@@H]1C[C@@H](C=C)OP(=O)(OCC(=C)C)O1 72136789 FTMYAPUNKLVZBB-GHMZBOCLSA-N 244.227 3.233 30 1 BGEF C=C1CC[C@]2(O)C(=C)CC[C@H]3[C@@H]([C@@H]12)C3(C)C 95909659 HSEADIKPAODSBI-XFMPKHEZSA-N 218.340 3.306 30 1 BGEF biogenic,in-vitro N#Cc1c(/N=C\c2ccco2)sc2c1CCC2 100433503 RNNWAKHOFWQFNG-NVNXTCNLSA-N 242.303 3.452 30 1 BGEF C=C1CCC[C@]2(C)CC[C@H]3[C@H](C)C(=O)O[C@H]3[C@H]12 238734703 VVFHGZOZXJXSNR-XOBFJNJYSA-N 234.339 3.321 30 1 BGEF CC(C)=C1C[C@@]2(C)C(=CC1=O)[C@H](O)CC[C@@H]2C 238756840 QGDQQZUIBMCIHH-PSOPSSQASA-N 234.339 3.019 30 1 BGEF C=CCC(C)(C)c1nc2ccc(C)nc2[nH]1 587954327 OXPJIXYNHSXNIQ-UHFFFAOYSA-N 215.300 3.120 30 1 BGEF C/C1=C\CC(C)(C)/C=C/C[C@]2(C)O[C@@H]2[C@H](O)C1 238769615 NLKDRIXWXCDONI-USGXOTKMSA-N 236.355 3.217 30 1 BGEF CCC(=O)C(C)=CC=CC(C)=CC=CC(=O)O 2356716747 WXPMMIGBSGSNEB-UHFFFAOYSA-N 234.295 3.055 30 1 BGEF CC1(C)CCC[C@]2(C)[C@@H](C=O)[C@@H](C=O)CC[C@@H]12 85661870 JKRUAKSWAPMIIH-UKTARXLSSA-N 236.355 3.243 30 1 BGEF C#CC#CC[C@H]1O[C@H]1CCCCCCC 85722175 CRSUKNCTBDUAQP-KGLIPLIRSA-N 204.313 3.141 30 1 BGEF endogenous,in-man COC1=CC(=O)c2cccc3cccc1c23 103209308 MEDDRBLADFZXGF-UHFFFAOYSA-N 210.232 3.023 30 1 BGEF C=CCc1cccc2nc(C3=COCC3)[nH]c12 586913027 KJJBPNJMGUYGGO-UHFFFAOYSA-N 226.279 3.053 30 1 BGEF C#CCCCC(=O)c1coc2cc(C#N)ccc12 587279639 YPTLKJXSPBQNCL-UHFFFAOYSA-N 237.258 3.291 30 1 BGEF CC(C)=C1C[C@]2(C)[C@H](C)CCC[C@H]2[C@H](O)C1=O 2356595068 RQNTUHIZYNFVBE-UEEZHKSASA-N 236.355 3.099 30 1 BGEF C/C=C\C#CCC/C=C/C=C\C(=O)NCC(C)C 33836462 NFFPFDVUIWBNTI-GBEDUDKYSA-N 245.366 3.231 30 1 BGEF C=C1CC(=O)C(=C(C)C)C[C@H]2[C@@H]1CC[C@]2(C)O 238745119 ITIGZFMSPAFZAE-ZLDLUXBVSA-N 234.339 3.019 30 1 BGEF C[C@@H]1C[C@H]1C(=O)c1coc2cc(C#N)ccc12 587277859 GEQHENWGBSBNME-LDYMZIIASA-N 225.247 3.143 30 1 BGEF CC(C)[C@@H]1CC[C@]2(C)[C@H]3CC[C@@H](C=O)[C@@H](O3)[C@H]12 2356431633 XVCBCGVWVYCAMM-XDSHMYFISA-N 236.355 3.051 30 1 BGEF C=C[C@@H](O)C=CC#CC=CC=CCCCC 2356434252 JRDMGDZXFPPPTM-OAHLLOKOSA-N 216.324 3.396 30 1 BGEF C=C1CC[C@H](O)C(C)(C)C=C[C@H](C)CCC1=O 2356510971 SSWUIXHLQYARRL-RISCZKNCSA-N 236.355 3.265 30 1 BGEF C[C@@H]1CC[C@H](C(C)(C)O)C[C@]23O[C@@]12CC[C@H]3C 2356786222 ZLTJNMGRSFNNFA-RKEKIRQTSA-N 238.371 3.131 30 1 BGEF CN(C)CCC[C@H](C#N)c1ccc(Cl)cc1 95872402 MMRNOCJQVZUBGW-GFCCVEGCSA-N 236.746 3.289 30 1 BGEF CC(C)=C(C)C1=C(O)C(=O)c2ccccc2C1=O 142673464 MWCRMRYQUDIAHU-UHFFFAOYSA-N 242.274 3.234 30 1 BGEF CC[C@@H](C)c1[nH]c2c(C(=O)O)cccc2c1C#N 587638162 MSGDTNHVPXQFQS-MRVPVSSYSA-N 242.278 3.251 30 1 BGEF N#Cc1cccc(/C=C/c2cccnc2)c1 1772640950 JUXMMLIQRTVBBV-VOTSOKGWSA-N 206.248 3.124 30 1 BGEF C=C1[C@H](C)CC[C@]2(C)C3=C(CC[C@H]12)COC3=O 13406070 GCLXGPRAUABJSQ-BCQZVRRWSA-N 232.323 3.242 30 1 BGEF biogenic C(#Cc1cccs1)/C=C/c1ccco1 14766072 HAKDYPJVGUKNJQ-ORCRQEGFSA-N 200.262 3.406 30 1 BGEF C#CCCCC(=S)Nc1ccccc1 7991710 BCVBEQPOPKDGFH-UHFFFAOYSA-N 203.310 3.229 30 1 BGEF C=C(C)[C@@H](CC[C@H](C)O)CC1=C(C)CCC1=O 14694270 YTYICJAIECLVEQ-STQMWFEESA-N 236.355 3.409 30 1 BGEF biogenic CC1=CC(=O)[C@H]2C[C@@]3(C)[C@@H]4CC[C@@]1(C4)[C@@]23C 14711184 QSYREIWNGRIWRQ-MFHWUAJNSA-N 216.324 3.348 30 1 BGEF C=C1CCC[C@@]2(C)CC[C@H](C(C)(C)O)C[C@]12O 15208586 XLVSKPCUSVQGDB-QEJZJMRPSA-N 238.371 3.035 30 1 BGEF Cc1ccc([C@]2(C)C[C@@H]3O[C@]3(C)[C@@H]2C)cc1 85996103 LIHGIKBIBXNWIP-FAAHXZRKSA-N 216.324 3.450 30 1 BGEF C=C1C(=O)O[C@@H]2C[C@]3(C)CCC(O)=C(C)[C@H]3C[C@@H]12 2356784780 PZQLQSNITGNRMK-MDHDOXDCSA-N 248.322 3.126 30 1 BGEF C/C(=C\c1ccccc1)C1=CC(=O)C(C)(C)O1 40639562 IJJRQAIMOXCBOL-PKNBQFBNSA-N 228.291 3.352 30 1 BGEF CC(C)(C)C1=CC(=O)C([C@@H]2C=CCCC2)=CC1=O 49807763 IICTVKAADZJYHP-LLVKDONJSA-N 244.334 3.393 30 1 BGEF C/C=C/C#CC#CC/C=C/CCCCOC(C)=O 238736066 CHYMZOFPJIPFFY-QJRLLOQJSA-N 244.334 3.249 30 1 BGEF CCCN(CC)CC#Cc1ccc(C)cc1 473108253 LNJJQOSBUJHSNG-UHFFFAOYSA-N 215.340 3.078 30 1 BGEF Cc1ccc(-c2nc3c(C)nccc3[nH]2)cc1C#N 587188136 ONLDDMSWDNJMTH-UHFFFAOYSA-N 248.289 3.113 30 1 BGEF C[C@@H]1CC=CC2=C(O)C(=O)[C@@H]3[C@H](C3(C)C)[C@]21C 2356325032 VRXRXQBGHXYMBN-UZOMYAKVSA-N 232.323 3.256 30 1 BGEF CC1=C2C[C@H](C(C)C)CC[C@]2(C)[C@@H](O)CC1=O 2356419198 JQTMIWNKPGOIAA-UGFHNGPFSA-N 236.355 3.099 30 1 BGEF CC(C)c1cc(C#Cc2ccccc2)on1 66097760 FGSFBIFPVGSOAE-UHFFFAOYSA-N 211.264 3.198 30 1 BGEF CCc1ccc(/C(=N/O)NC2CCCCC2)cc1 72183969 IVHHRDPFRDJTKS-UHFFFAOYSA-N 246.354 3.307 30 1 BGEF C=C1C(=O)Oc2ccc3ccccc3c2[C@@H]1C 84688672 XIBNTSOIARQPTM-SECBINFHSA-N 224.259 3.419 30 1 BGEF C/C1=C\CC2=C(C/C(C)=C/CC1)C(=O)C=CC2=O 169298232 IYBUBJTWRYPRSI-HFQMJBPSSA-N 242.318 3.458 30 1 BGEF C=C(C)c1cc2cc3ccc(=O)oc3c(O)c2o1 238767433 LBHPSKDVMXEQOR-UHFFFAOYSA-N 242.230 3.278 30 1 BGEF CC(=O)[C@@H]1CC[C@@H]2[C@H](CCC3=CC(=O)CC[C@@H]32)C1 254044452 FZBFFQIUPYHEAP-BHTHQVBYSA-N 246.350 3.307 30 3 BGEF C[C@@H](CCC=O)CCOCc1ccccc1 6437094 RKZYNDQFWFVEQV-ZDUSSCGKSA-N 220.312 3.209 30 1 BGEF O=C1C=C2CCCC[C@H]2[C@@H]1c1ccoc1 103286849 KOPQILJHRITDQR-YPMHNXCESA-N 202.253 3.063 30 1 BGEF C=C(C(=O)O)[C@@H]1CC[C@@]2(C)CCC=C[C@H]2C1 2356433475 KJSAXQYTHNRIBJ-MBNYWOFBSA-N 220.312 3.400 30 1 BGEF C[C@H](CCC=O)CCOCc1ccccc1 1613236 RKZYNDQFWFVEQV-CYBMUJFWSA-N 220.312 3.209 30 1 BGEF CC1=CC[C@]2(CC1=O)[C@H](C(C)C)C(=O)C[C@H]2C 13307510 SXHQJMKFQDMBIW-KCPJHIHWSA-N 234.339 3.163 30 1 BGEF in-man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biogenic C=CCCCC=CC=CCC#CC#C[C@@H](O)C=C 2356683589 ADKVNLJOJPLERM-KRWDZBQOSA-N 240.346 3.399 30 1 BGEF C=C1Cc2cocc2[C@H](O)[C@@H]2CC(C)(C)C[C@@H]12 15168800 MXGHRCUEQWHPNC-OUCADQQQSA-N 232.323 3.478 30 1 BGEF biogenic COc1ccc(/C=N/Oc2ccccc2)cc1 36439307 JRMHBZHENZWWCW-RVDMUPIBSA-N 227.263 3.108 30 1 BGEF N#C[C@H](Cc1ccc(O)cc1)c1ccccc1 1717516 YDQYAHRIMRZGHV-AWEZNQCLSA-N 223.275 3.242 30 1 BGEF CC/C(C)=C/[C@@]1(C)SC(O)=C(C)C1=O 101385582 PFVSTBZQAWCKDU-XUIVZRPNSA-N 212.314 3.207 30 1 BGEF C/C=C(\C)C(=O)C[Si](C)(C)c1ccccc1 195418639 YDDPPSDEQUKYEV-LFYBBSHMSA-N 232.399 3.137 30 1 BGEF Cc1[nH]c2ccc(F)c(Cl)c2c1CC#N 587631015 URVQGSBUILSIKJ-UHFFFAOYSA-N 222.650 3.335 30 1 BGEF C=C(CO)c1cc(O)c2c(c1C)[C@H](C)CCC2 2356393004 WTBQXGRZSKOUQU-SECBINFHSA-N 232.323 3.146 30 1 BGEF C=C1[C@H](O)CC[C@]2(C)Cc3occ(C)c3C[C@@H]12 15221637 HNLZDVOBUHDCLO-GZBFAFLISA-N 232.323 3.020 30 1 BGEF biogenic,in-vitro C=C(C)[C@@H]1C=C2C(CO)=CC=C2C(C)=CC1 196476360 QESXXTHMAROWDY-LBPRGKRZSA-N 214.308 3.314 30 1 BGEF C/C1=C\CC[C@]2(C)O[C@@H]2C(=O)c2c(C)coc2C1 13456547 CVIVANCKIBYAOP-LTBMOJJQSA-N 246.306 3.211 30 1 BGEF endogenous,in-man C=CCCCC/C=C1\CN2CCC[C@H]2[C@@](C)(O)C1 27547703 KUUNYKSSMMOQCE-RPZAIAHZSA-N 249.398 3.278 30 1 BGEF CC1=CC(=O)[C@H]2[C@@H]3[C@H]1[C@]2(C)CC[C@@H]3C(C)C 100879865 CTFSUCDHRVDRKG-BFYSQQLMSA-N 218.340 3.450 30 1 BGEF endogenous,in-man CCCC#CC#C/C=C/C=C/[C@H]1CC[C@@H](OC)O1 238735627 LWKMRSGECVFHLH-SERPANHUSA-N 244.334 3.057 30 1 BGEF C=C[C@](C)(O)CCC=C(C)[C@H](O)CC=C(C)C 2356519820 QNAJDMGVFWNPDH-CABCVRRESA-N 238.371 3.367 30 1 BGEF C=C(CC/C=C(\C)CO)[C@H]1CC[C@](C)(O)[C@@H]1C 238736393 HGGIETPLSCSCRB-BMOMHYFPSA-N 238.371 3.059 30 1 BGEF C=CC[C@@]1(C)CCCN(Cc2ccccc2)C1=O 5940937 QNFIOOXROPFZMQ-INIZCTEOSA-N 243.350 3.391 30 1 BGEF C=C1C(=O)O[C@@H]2C[C@]3(C)C=CCC(=C)[C@H]3C[C@H]12 238777318 OQDHMEJCDXFMHC-BHPKHCPMSA-N 230.307 3.017 30 1 BGEF C=CCN(C)[C@@H]1CCc2ccc(O)cc2C1(C)C 13583916 RHQPASUQIGVBMR-OAHLLOKOSA-N 245.366 3.102 30 1 BGEF C=C(C)[C@@H]1CC[C@H](C)[C@]2(O)CC(=O)C(C)=C2C1 14454018 ZRPQZLPROFXWRW-JVLSTEMRSA-N 234.339 3.019 30 1 BGEF biogenic N#Cc1c([C@H]2CCCOC2)[nH]c2cc(F)ccc12 587635344 KEQDQFPTOJRBIS-VIFPVBQESA-N 244.269 3.073 30 1 BGEF Cc1ccc(C#Cc2ccc3ccccc3n2)nc1 95592421 HHZWQMYQMZCJSE-UHFFFAOYSA-N 244.297 3.338 30 1 BGEF [N-]=[N+]=Nc1cc([C@@H]2C[C@@H]3CC[C@@H]2N3)cnc1Cl 100008847 IXNFUEZUMBBRKA-CIUDSAMLSA-N 249.705 3.285 30 1 BGEF CCO/N=C/Nc1ccc(Cl)cc1C 103180470 QJCNQLBHMKTFPS-UHFFFAOYSA-N 212.680 3.040 30 1 BGEF C=C(C)[C@@H](O)/C=C\C=C/c1ccccc1 169355514 QANYBZUFTNCOOT-WLXPRVCMSA-N 200.281 3.193 30 1 BGEF CC(C)=CC[C@@H](O)/C(C)=C1\CC=C(C)C(=O)C1 238789880 LKJQQYRLCYCQSR-XTZCOPOCSA-N 234.339 3.329 30 1 BGEF C=C1CCC=C(CO)C(=O)C[C@@H]2[C@@H]1C[C@@]2(C)CC 2356331593 KWCWLVHJYZEJAQ-IIAWOOMASA-N 248.366 3.267 30 1 BGEF Cc1ccc2c(c1)O[C@]1(C=O)[C@H](C)CC[C@]21C 2356795200 IKVPMCNNGICLRF-KCPJHIHWSA-N 230.307 3.013 30 1 BGEF CCCC(/C=C/c1ccc(F)cc1)=N\O 116360410 GVMNKKDSUMTDFH-TZOAMJEDSA-N 207.248 3.469 30 1 BGEF CC1=C[C@@H]2C(=C(C)C)C(=O)C[C@](C)(O)[C@H]2CC1 2356495499 UIBWDVKGBMMWPM-HUBLWGQQSA-N 234.339 3.019 30 1 BGEF C/C=C/C#CC#C/C=C/C=C/CCCCCO 238776255 YAJHFXRUFPTBLG-MMOYHAHMSA-N 228.335 3.234 30 1 BGEF C=C1C(=O)O[C@@H]2C3=C(C)CC=C[C@]3(C)CC[C@@H]12 238778060 LOWUURLXSKVQTP-CORIIIEPSA-N 230.307 3.161 30 1 BGEF CC(=O)[C@H]1CCC2=C(C)C(=O)C[C@@H](C(C)C)[C@@H]21 14495921 QBQZETQUVCAZHT-IPYPFGDCSA-N 234.339 3.163 30 1 BGEF CC1=CCC2=C(C)C(=O)C(=O)c3c(C)ccc1c32 28370416 JDEQXNGAIBWSRJ-UHFFFAOYSA-N 238.286 3.341 30 1 BGEF C=C[C@](C)(O)CC/C=C(\C)C[C@@H](O)C=C(C)C 34290551 TZCKNDPYYKEPHO-DMUBJSPUSA-N 238.371 3.367 30 1 BGEF Cc1ccc(C(=O)/C=C/c2ccccc2O)o1 98082135 YVHSHOIFTGABBG-BQYQJAHWSA-N 228.247 3.190 30 1 BGEF CC(C)C[C@H](/N=C/C=C/c1ccccc1)C(=O)O 653702440 QTUHANYEFGCERN-GIHFEZSSSA-N 245.322 3.270 30 1 BGEF C#C[C@H](CN)c1ccc(Oc2ccccc2)cc1 28654173 GIFOOVBSEIDETG-CYBMUJFWSA-N 237.302 3.154 30 1 BGEF C=C(C)C(=O)O[C@@H]1C[C@@H]2CC[C@]1(C)C2(C)C 100045126 IAXXETNIOYFMLW-WDMOLILDSA-N 222.328 3.321 30 1 BGEF C=C1C[C@@]2(CCC[C@H]3CCCC[C@@H]32)OC1=O 25985360 KOTLLZYPSLHIEH-MBNYWOFBSA-N 220.312 3.219 30 1 BGEF CCCS/C(=N/c1cccc(C)c1)NC 28134014 KHWRIUZYYNCQCU-UHFFFAOYSA-N 222.357 3.345 30 1 BGEF C=C1CC(C#N)(C#N)[C@H]2[C@H]3CCC[C@@H]3C[C@@H]12 5600832 PCSIJLYEUQGZKL-VOAKCMCISA-N 212.296 3.032 30 1 BGEF CCCCCCCCC=CC[C@H](O)[C@@H](C)N 2356529306 APIMNRBWCSRKIX-KGLIPLIRSA-N 227.392 3.391 30 1 BGEF CC(=O)C=CCC(C)(C)c1ccc(C)o1 2356681073 FBIJIFHUILHPFS-UHFFFAOYSA-N 206.285 3.401 30 1 BGEF O=Cc1ccc(C#Cc2cccs2)s1 14766082 WGXDJELISLULSE-UHFFFAOYSA-N 218.302 3.022 30 1 BGEF biogenic CC(C)c1c(CC#N)[nH]c2cccc([N+](=O)[O-])c12 587647501 ZRISRMWTBPBWBJ-UHFFFAOYSA-N 243.266 3.266 30 1 BGEF C=C(CC=CC(C)(C)O)[C@@H]1CC[C@](C)(O)[C@@H]1C 2356614937 OHSXDYRPKNCDOL-IPYPFGDCSA-N 238.371 3.057 30 1 BGEF C=CC(C)(C)CC(=O)CC(=O)c1ccccc1 15120914 DQXNITPUDHIZJE-UHFFFAOYSA-N 230.307 3.431 30 1 BGEF biogenic CC[C@H]1C[C@@H]2[C@@H]3CCC(=O)C=C3CC[C@]2(C)[C@@H]1O 40374556 ABTDALAHKLLQIZ-SHSWAGTRSA-N 248.366 3.099 30 1 BGEF C/C=C\C#CC#C/C=C\C=C/CCCCC=O 221253756 NDAPUMLRLFELHL-JGFRUSCUSA-N 226.319 3.441 30 1 BGEF C=CCCCCC[C@@H](O)/C=C/C#CC#CC#CC 238755336 HNLFNCBZIGWOKP-FYPAKXHLSA-N 240.346 3.070 30 1 BGEF C=C(CO)[C@@H]1CC[C@]2(C)CCC(=O)C(C)=C2C1 15207462 PPEAYEMIWAFAFB-IUODEOHRSA-N 234.339 3.021 30 1 BGEF biogenic CCCCCCCCC[C@H]1OC(=O)C[C@H]1OC 103625380 BGVZUQFZXIYKSV-CHWSQXEVSA-N 242.359 3.458 30 1 BGEF C/C=C\C=C\C#C/C=C\C=C/CCCO 222875712 DVVCIYWIFHPFME-MYUBABPZSA-N 202.297 3.007 30 1 BGEF COc1ccc(Cl)cc1C#CC=C(F)F 587912834 PSTRIYWFGBRWRZ-UHFFFAOYSA-N 228.625 3.481 30 1 BGEF C=C1C(=O)N(c2ccccc2)[C@H]1c1ccccc1 35785161 SFOPBIJMUBHPBA-OAHLLOKOSA-N 235.286 3.331 30 1 BGEF C=C(C)CSc1ccccc1OC(=O)NC 84731256 LHVQNNAUCOZEML-UHFFFAOYSA-N 237.324 3.073 30 1 BGEF C=C1C(=O)O[C@@H]2C/C(C)=C\C=C/[C@@H](C)CC[C@@H]12 238778121 MMTZAJNKISZWFG-HZCCUGSASA-N 232.323 3.407 30 1 BGEF biogenic C[C@@H]1C[C@H]1c1[nH]c2cc([N+](=O)[O-])ccc2c1C#N 587647307 VJAVRNFJCWWKPK-GMSGAONNSA-N 241.250 3.071 30 1 BGEF CC1=CCC(C)(C)C=CC[C@]2(C)O[C@@H]2[C@@H](O)C1 2356432812 NLKDRIXWXCDONI-GUTXKFCHSA-N 236.355 3.217 30 1 BGEF C=C(C)[C@@]1(O)CC[C@]2(C)CC(=O)C=C(C)[C@H]2C1 34218109 SAJFRLDIWQUNCQ-RBSFLKMASA-N 234.339 3.019 30 1 BGEF C/C1=C\CC(C)(C)/C=C/[C@H](O)[C@@]2(C)O[C@H]2CC1 101523495 AXNPQOVZRSRGEF-MABPIYMQSA-N 236.355 3.217 30 1 BGEF C=C1[C@H]2CC[C@H]([C@]1(C)C1CCCC1)[C@@]2(O)OC 2356357337 RXBHTDILEZJYGJ-KBXIAJHMSA-N 236.355 3.114 30 1 BGEF CC1=C2C=C(C(C)C)C(=O)C[C@@H](C)[C@H]2CC1=O 2356540191 PHOOTLGNMYEPGZ-BXKDBHETSA-N 232.323 3.083 30 1 BGEF C=C1[C@H](O)O[C@H]2C=C(C)CCC=C(C)CC[C@H]12 2356584226 XOQBPGQAAARDLU-QLFBSQMISA-N 234.339 3.343 30 1 BGEF C(#Cc1cccs1)/C=C\c1ccco1 33831289 HAKDYPJVGUKNJQ-KTAJNNJTSA-N 200.262 3.406 30 1 BGEF biogenic,in-vitro CC1=CC(=O)[C@H]2[C@H]3[C@H]1[C@@]2(C)CC[C@@H]3C(C)C 100781022 CTFSUCDHRVDRKG-JSFFLRCESA-N 218.340 3.450 30 1 BGEF endogenous,in-man C=C1CC[C@@H]2CC[C@@H](CO)[C@@]23C[C@@H]1C3(C)C 238773616 YLWPFKYITUSRND-UKTARXLSSA-N 220.356 3.387 30 1 BGEF C=CCCC/C=C\C=C/CC#CC#C[C@@H](O)C=C 238781301 ADKVNLJOJPLERM-JBDKYTPXSA-N 240.346 3.399 30 1 BGEF N#Cc1c(-c2ccncc2)[nH]c2cccc(F)c12 587637111 VGKWBEKYNIGZHS-UHFFFAOYSA-N 237.237 3.241 30 1 BGEF C=C[C@]1(C)C[C@@H]2OC(=O)C(=C)[C@H]2C[C@H]1C(=C)C 34212895 IFASGTOWHLMHEZ-UKTARXLSSA-N 232.323 3.263 30 1 BGEF C/C=C\C=C/C#C/C=C\C=C/CCCO 222875581 DVVCIYWIFHPFME-XYPBADGASA-N 202.297 3.007 30 1 BGEF CCO/C(O)=C1/CSCC1=Nc1ccccc1 254096007 ISVQHQAODOLWFD-CSXFVWEESA-N 249.335 3.312 30 1 BGEF CCC[C@@H](O)CC(=O)/C=C/c1ccc(C)c(C)c1 1911571269 CPTVNUWRKZBMIW-XVJNWHFHSA-N 246.350 3.437 30 1 BGEF Cc1coc2c1C(=O)C1=C(CCC[C@@H]1C)C2=O 14615008 YTZQYIRYJDLTJO-ZETCQYMHSA-N 230.263 3.084 30 1 BGEF biogenic C=CCOc1cccc(C#Cc2cccc(C)n2)c1 28365918 YAKUQDRATLIPEV-UHFFFAOYSA-N 249.313 3.355 30 1 BGEF C=C1[C@H]2CC[C@H](C(=O)O)[C@]23CC[C@@H](C3)C1(C)C 5456435 IJGMVUXEZUEDJR-YFCNSXCBSA-N 234.339 3.480 30 1 BGEF Cc1ccc(C#CC=CCOC(=O)C(C)C)s1 2356396993 CTYCJIYJQUIHLJ-UHFFFAOYSA-N 248.347 3.163 30 1 BGEF C=C1CCC[C@@H]2C(=C)C(=O)O[C@]23[C@@H](C)CC[C@H]13 2356454392 KQRRKYOJZSNEMG-ZGFBFQLVSA-N 232.323 3.241 30 1 BGEF CO/N=C/c1ccccc1-c1ccccc1 72185567 CVKXKQHWILPVCK-RVDMUPIBSA-N 211.264 3.334 30 1 BGEF C=C[C@@](C)(O)CC/C=C1\CO[C@@H](C=C(C)C)C1 238766124 YKZPUSGDQAOOKT-VBUBNCOFSA-N 236.355 3.385 30 1 BGEF C=C1CCC[C@]2(C)C=C3OC(=O)[C@H](C)[C@@H]3C[C@H]12 2356728097 YRYJELNGMLPXRY-NWJSVONSSA-N 232.323 3.446 30 1 BGEF CC(C)=C1Oc2c(ccc3c2COC=C3)C1=O 2356836871 LEOCLSHZOIMTTF-UHFFFAOYSA-N 228.247 3.057 30 1 BGEF C(#Cc1n[nH]c2ccccc12)c1ccsc1 66252788 KJUORGPLXTXAFO-UHFFFAOYSA-N 224.288 3.024 30 1 BGEF C#Cn1ccnc1C#Cc1ccc(C(C)(C)C)cc1 72177065 MONIAAWSBHMCGB-UHFFFAOYSA-N 248.329 3.019 30 1 BGEF C=CCC[C@H]1CN([Si](C)(C)C(C)(C)C)C1=O 195298972 VOXGOKPQAMGQHD-NSHDSACASA-N 239.435 3.416 30 1 BGEF CC(C)C1=C[C@@]2(O)[C@@H](C)CCC[C@]2(C)CC1=O 238742580 CRUIAACAZODGLK-NILFDRSVSA-N 236.355 3.099 30 1 BGEF CC[C@]12CCC3=C(C)C(=O)CC[C@@H]3[C@@H]1CC[C@H]2O 253635503 ZGWSYIQVEGMGSR-UGQVUOCMSA-N 248.366 3.243 30 1 BGEF C=C(C)[C@@H](CC[C@@H](C)O)CC1=C(C)CCC1=O 14694268 YTYICJAIECLVEQ-OLZOCXBDSA-N 236.355 3.409 30 1 BGEF biogenic C=C1CCC[C@@]2(C)C[C@H]3OC(=O)[C@H](C)[C@H]3C[C@@H]12 238777231 YYJRTJYCOMIDIC-VVSAWPALSA-N 234.339 3.321 30 1 BGEF Cc1cccc(N/N=C/c2ccccc2O)c1 4924219 BYWBTFMAPMSBSB-XNTDXEJSSA-N 226.279 3.147 30 1 BGEF [N-]=[N+]=Nc1cc([C@@H]2C[C@H]3CC[C@@H]2N3)cnc1Cl 13487520 IXNFUEZUMBBRKA-VGMNWLOBSA-N 249.705 3.285 30 1 BGEF C=C1CC[C@@H](C(C)C)/C=C/[C@](C)(O)CC[C@H]1O 15254360 NSIOXFVMCTYIOU-SQLLUCMQSA-N 238.371 3.057 30 1 BGEF C/C=C/C#CC#C/C=C/C=C/CCCOC(C)=O 34290370 BSPUEFFDQHCPTB-VIGTXSPVSA-N 242.318 3.025 30 1 BGEF CC(=CC(=O)O)[C@H]1CC2=C(C1)C(C)(C)CCC2=O 2356745987 KWLZQMPOIJYXDR-JTQLQIEISA-N 248.322 3.113 30 1 BGEF C=C[C@@](C)(O)CC/C=C(\C)CC/C=C(\C)CO 15213657 YXIFOKDKHGSQOB-GXBUMDJISA-N 238.371 3.369 30 1 BGEF Cn1c(=O)c(Cl)c(N=[N+]=[N-])c2ccccc21 17253761 PAUOMYBFQQFFBE-UHFFFAOYSA-N 234.646 3.134 30 1 BGEF COc1ccc(Cl)cc1C#Cc1cnoc1C 587910410 ZFOITPDRWLEEPU-UHFFFAOYSA-N 247.681 3.045 30 1 BGEF O=C1C=C[C@@H](c2c[nH]c3ccccc23)CC1 95571292 NHSGQWLUFCIQGA-SNVBAGLBSA-N 211.264 3.171 30 3 BGEF C=C1[C@@H]2CCC3=C(C(=O)OC3)[C@@]2(C)CC[C@H]1C 14929586 GCLXGPRAUABJSQ-LYSGOOTNSA-N 232.323 3.242 30 1 BGEF biogenic C=CCCCC/C=C/C=C\C#CC#C/C=C/CO 238740314 VNZGFKQARLEAQK-FVMRDFIHSA-N 240.346 3.401 30 1 BGEF C=C1C(=O)O[C@@H]2CC3=CC[C@H](C)C[C@@]3(C)C[C@H]12 2356740989 AQPIMJDQWZKEOR-FWHFQCOYSA-N 232.323 3.241 30 1 BGEF CC1(C)CCC[C@@H]2O[C@@H]2CCC(C)(C)C1=O 1646802 LTVIPBUWHMQWRE-WDEREUQCSA-N 224.344 3.339 30 1 BGEF CCO/N=C/Nc1cc(Cl)ccc1OCC 103181855 AHJGNHPCQRFWHE-UHFFFAOYSA-N 242.706 3.130 30 1 BGEF C=CCCCC[C@@H](O)/C=C/C#CC#C/C=C/C 238774468 ZHWAUBOVHJIGHX-SEJOIDSYSA-N 228.335 3.233 30 1 BGEF C=C(C)[C@@H]1CC[C@]2(C)CC[C@H](O)[C@]3(C)O[C@@]32C1 257382045 AXKKANUAFIGTQI-QKGCVVFFSA-N 236.355 3.051 30 1 BGEF endogenous,in-man CCCNC1=Cc2cccc3cccc(c23)C1=O 1857745777 SDFPTNQIKXQLBZ-UHFFFAOYSA-N 237.302 3.377 30 1 BGEF C=C[C@@H](c1ccccc1)c1cc(O)ccc1O 29042347 YWLDSNVXQNBZKU-ZDUSSCGKSA-N 226.275 3.416 30 1 BGEF O=C1C=CC[C@@H](CC(=O)C=Cc2ccccc2)C1 2356535670 GTXPMYGNBFUUES-CQSZACIVSA-N 240.302 3.194 30 1 BGEF CC=CC#CC#CC=CC=CCCCC=O 2356566227 CWBXCZXHOHBSLY-UHFFFAOYSA-N 212.292 3.051 30 1 BGEF CCCCC#CC#CCCCCCC(=O)O 14722284 UDDQRZKIDJCZJF-UHFFFAOYSA-N 220.312 3.219 30 1 BGEF biogenic,in-vivo CC1=CC[C@H](/C(C)=C/C(=O)CC(C)C)CC1=O 223552646 KXTCYNARSLCXMW-RPHSKFLZSA-N 234.339 3.473 30 1 BGEF Cc1ccc([C@]2(C)C[C@@H]3O[C@@]3(C)[C@H]2C)c(O)c1 2356636102 VJKVBYPPYRIGJH-HPEDKQMDSA-N 232.323 3.156 30 1 BGEF CC(C)C1=CC2=C(C(=O)C[C@]2(C)O)[C@H](C)CC1 2356794351 LCQMNDUQIYLJLG-BMIGLBTASA-N 234.339 3.019 30 1 BGEF C=C1C[C@H](c2ccc3ccccc3c2)OC1=O 196359178 QPGCZCPQGYMVKP-CQSZACIVSA-N 224.259 3.384 30 1 BGEF N#Cc1cccc2nc(-c3occ4c3CCC4)[nH]c12 586905327 LCGQHMZLLQSOME-UHFFFAOYSA-N 249.273 3.183 30 1 BGEF CC1(C)C[C@@H]2[C@@H]1CC[C@]1(C)O[C@@H]1CC[C@@]21CO1 2356648584 ITCVFHPZQFFEGI-SIJPQNPESA-N 236.355 3.149 30 1 BGEF C=C1[C@@H]2CCC(C)=C[C@@H]2O[C@H]1C(=O)CC(C)C 137298109 IHICBXCECHBHGF-AEGPPILISA-N 234.339 3.282 30 1 BGEF C=CCc1cc2cc3ccoc3cc2oc1=O 238737081 IMATVXLXCKEXPA-UHFFFAOYSA-N 226.231 3.268 30 1 BGEF CC[C@@H](CCC#N)C(=O)c1ccc(C)o1 1596565 NHBFODFLWGWTEL-JTQLQIEISA-N 205.257 3.101 30 1 BGEF CCCCCc1ccc(N(O)C(C)=O)cc1 27657831 PBBHNKINGAXWSS-UHFFFAOYSA-N 221.300 3.161 30 1 BGEF C=C1C[C@]2(O)O[C@@]3(CC2=C(C)C)[C@@H](C)CC[C@@H]13 103105417 DEBDFZGNZTYPMF-JURCDPSOSA-N 234.339 3.177 30 1 BGEF C#CCN(C)CC(=C)c1ccc(F)c(Cl)c1 299844565 GLYUGKJWFWSDEG-UHFFFAOYSA-N 237.705 3.057 30 1 BGEF C=CCCCC[C@@H](O)C=CC#CC#CC=CC 2356617341 ZHWAUBOVHJIGHX-MRXNPFEDSA-N 228.335 3.233 30 1 BGEF CC1=C[C@H](O)[C@H]([C@@]2(C)CCCC2(C)C)CC1=O 14447156 IUKKWXIPRURLDK-OSAQELSMSA-N 236.355 3.099 30 1 BGEF biogenic CC(=O)/C=C/CC(C)(C)c1ccc(C)o1 14592366 FBIJIFHUILHPFS-AATRIKPKSA-N 206.285 3.401 30 1 BGEF endogenous,in-man C=C[C@]1(C)C[C@H]2OC(=O)C(=C)[C@H]2C[C@@H]1C(=C)C 15150157 IFASGTOWHLMHEZ-RGCMKSIDSA-N 232.323 3.263 30 1 BGEF C=C1C(=O)O[C@@H]2[C@@H]1CC=C(C)[C@H]1CCC(=C)[C@@H]12 15264931 BWRZDLYJNURUHS-YIYPIFLZSA-N 230.307 3.017 30 1 BGEF biogenic C=C1CCC=C(C)CC[C@H](C(C)C)[C@H](O)[C@H]1O 2356581176 NWWKYVMTWNUWHC-ILXRZTDVSA-N 238.371 3.057 30 1 BGEF N#Cc1ccc([C@H]2CCCCc3cncn32)cc1 13820321 IVAZIKNYMMXRJK-OAHLLOKOSA-N 237.306 3.071 30 1 BGEF O=Cc1ccc(C#CC=Cc2ccco2)s1 2356501702 KPHSAOBSOKJLEL-UHFFFAOYSA-N 228.272 3.219 30 1 BGEF Cc1coc2c1[C@H](O)[C@]1(C)C(=C2)C(=O)CC[C@H]1C 14453112 GUQVBZWOPXBZGA-NKZPBKNFSA-N 246.306 3.024 30 1 BGEF biogenic CC[C@H](C)C[C@@]1(C)SC(O)=C(C)C1=O 101074610 CPLSPMXXSLTIHS-WRWORJQWSA-N 214.330 3.287 30 1 BGEF CC#CC#CCc1ccc2ccccc2c1 44308208 SRYARTHJKAESGC-UHFFFAOYSA-N 204.272 3.409 30 1 BGEF C=C1CCC[C@]2(C)CC[C@](O)(C(C)C)C(=O)[C@H]12 2356404068 CGBPJGAERNQIPQ-CFVMTHIKSA-N 236.355 3.099 30 1 BGEF C=C[C@@](C)(O)CC=C[C@@](C)(O)CCC=C(C)C 2356558301 TZTZMOXGXUZNPW-CABCVRRESA-N 238.371 3.367 30 1 BGEF CCCCCC[C@@]1(C)SC(O)=CC1=O 101358292 BSFDTJRFESCJEQ-LLVKDONJSA-N 214.330 3.431 30 1 BGEF C=C[C@@]1(C)Cc2occc2C(=O)[C@@H]1C(=C)C 2356417244 VWMGCBJDKSYUER-JSGCOSHPSA-N 216.280 3.403 30 1 BGEF C=C(C)[C@]1(O)CC[C@]2(C)CCC[C@@](C)(O)[C@@H]2C1 15208881 FPODEVIVZNBUMT-BARDWOONSA-N 238.371 3.035 30 1 BGEF biogenic C#CCN1CCC(/C=C\c2ccc(F)cc2)CC1 1857594534 IMLUTNFPMZSEGM-ARJAWSKDSA-N 243.325 3.184 30 1 BGEF CC(C)Cc1ccc(C(C)(C)C(=O)N(C)O)cc1 26253542 IECXBGMXCLJBKN-UHFFFAOYSA-N 249.354 3.010 30 1 BGEF N#Cc1c(-c2ccccn2)[nH]c2cc(F)ccc12 587637147 WGGCYRSQOLMCPR-UHFFFAOYSA-N 237.237 3.241 30 1 BGEF C=CCC(C)(C)c1nc2ccnc(Cl)c2[nH]1 587954542 ZLAGAEHJLFQKSU-UHFFFAOYSA-N 235.718 3.465 30 1 BGEF C=C1CC([C@@H]2NCCc3cccc(Cl)c32)C1 963390600 LHAGGNCBJBFJEX-AWEZNQCLSA-N 233.742 3.493 30 1 BGEF C=CC(C)=C[C@H]1OC[C@@]2(C)CCC(=O)C(C)=C12 2356620343 NYCIXAIPHCQNDD-UKRRQHHQSA-N 232.323 3.203 30 1 BGEF C[C@@H]1C(=O)C=CN2c3ccc(Cl)cc3CC[C@@H]12 22628 VKAGNHCBASQZNC-CABZTGNLSA-N 247.725 3.194 30 1 BGEF O=C1C=C(C2CCCCC2)c2ccccc2C1=O 13443907 BLDVOPPOHQOEHQ-UHFFFAOYSA-N 240.302 3.416 30 1 BGEF CC1=Cc2ccc3c(c2CO1)OC(=C(C)C)C3=O 48999365 OOSHVFPYQURYMZ-UHFFFAOYSA-N 242.274 3.447 30 1 BGEF C#Cc1cccc(-c2nc3ccc(C#N)cc3[nH]2)c1 586879557 HGKOTEMUYASWJN-UHFFFAOYSA-N 243.269 3.083 30 1 BGEF C=CC(C)(C)c1nc2cc(F)c(F)c(F)c2[nH]1 587954355 QIGGNSLGUSKPSX-UHFFFAOYSA-N 240.228 3.444 30 1 BGEF C=C1CC[C@H]2C[C@@]3([C@@H](CO)CC[C@@H]13)C2(C)C 2356472576 BVQAARKEKMVAKI-XFMPKHEZSA-N 220.356 3.387 30 1 BGEF C#C[C@@H](Cc1ccc(O)cc1)c1ccc(O)cc1 13470344 MXIFCKWMUUNDJR-ZDUSSCGKSA-N 238.286 3.057 30 1 BGEF C=C1CCC(=O)[C@@]2(C)CC[C@H](C(C)(C)O)C[C@H]12 49785924 XXXUKVXBKDQFQX-ZOWXZIJZSA-N 236.355 3.099 30 1 BGEF CC(=NC1CCCCC1)c1ccc(O)cc1O 1857610679 ZSBMHPAWJUSQDW-UHFFFAOYSA-N 233.311 3.240 30 1 BGEF C=CCCCC/C=C/C=C\C#CC#C/C=C\CO 205431931 VNZGFKQARLEAQK-BWHMNAFVSA-N 240.346 3.401 30 1 BGEF C=C1C(=O)O[C@H]2[C@H]1CC=C(C)[C@H]1CC=C(C)[C@@H]12 6050483 QLXSYIMXIMTCOX-RFGFWPKPSA-N 230.307 3.017 30 1 BGEF C=C(C)[C@@H]1CC(=O)C2=CC(=O)C[C@H](C)[C@]2(C)C1 15200821 CEDQTRQWBOXWOT-RWSFTLGLSA-N 232.323 3.083 30 1 BGEF endogenous,in-man Cc1ccc2nc(-c3ccc(O)c(C#N)c3)[nH]c2c1 587188878 UQYGRQOPADNGSD-UHFFFAOYSA-N 249.273 3.116 30 1 BGEF CC(C)CCC1=CC(=O)c2ccccc2C1=O 1596092 LTDXMRHTAVBPHX-UHFFFAOYSA-N 228.291 3.428 30 1 BGEF C=C1C[C@@H]2CC[C@H](C)[C@]23C[C@@](C)(C(=O)O)C[C@@H]13 2356721589 JVNVDDIKCOCXJF-ZCRGAIPPSA-N 234.339 3.480 30 1 BGEF CCCCCCCCC[C@H](O)[C@@H](C)NC(C)=O 44086530 XQVGKCPBADDMQR-OCCSQVGLSA-N 243.391 3.013 30 1 BGEF CCO/N=C/Nc1cc(Cl)ccc1Cl 103184690 SIAAJWISIUUGJH-UHFFFAOYSA-N 233.098 3.385 30 1 BGEF C=C/C=C/C#Cc1cc(Cl)ccc1OC 587900389 OTMWOHVHNMWLRS-SNAWJCMRSA-N 218.683 3.442 30 1 BGEF C=C1[C@H]2CC[C@@](C=O)([C@H]2OC)[C@@]1(C)C1CCCC1 2356734225 YOFAYOYDXJVGLP-QKPAOTATSA-N 248.366 3.363 30 1 BGEF CC1=CCC[C@]2(C)O[C@@H]2CC(C)(C)C=C[C@H]1O 2356788399 WYTCGROMPOXACM-NFAWXSAZSA-N 236.355 3.217 30 1 BGEF C=C1CC/C=C(\C)CC[C@@H](C(C)C)[C@@H](O)[C@H]1O 15254283 NWWKYVMTWNUWHC-JWHNLWTMSA-N 238.371 3.057 30 1 BGEF C[C@@H]1/C(=N/O)C[C@H](C(C)(C)C)N[C@H]1C(C)(C)C 299846048 CUKZYHHGTGBAEG-DPXJLIMWSA-N 240.391 3.275 30 1 BGEF C=CC[C@@](C)(N)c1nc2ccc(Cl)c(C)c2[nH]1 587258175 ZYSJKSYSLDRDPA-CYBMUJFWSA-N 249.745 3.275 30 1 BGEF C=C(C)[C@@H](O)C=CC=Cc1ccccc1 1857623091 QANYBZUFTNCOOT-AWEZNQCLSA-N 200.281 3.193 30 1 BGEF C#Cc1cccc(Nc2c(N)oc3cnccc23)c1 1857764417 RLGKTZHAYVDANU-UHFFFAOYSA-N 249.273 3.135 30 1 BGEF Cc1ccc(C(=O)/C=C/c2ccco2)c(O)c1 8684312 QBXUIWRVPNNSEM-FNORWQNLSA-N 228.247 3.190 30 3 BGEF C=C(C)[C@@H]1CC(=O)c2cc(Cl)ccc2O1 40828237 PFEIFKWMEBHCAL-LBPRGKRZSA-N 222.671 3.250 30 1 BGEF C=C1CC[C@@H](O)C(C)(C)C=C[C@H](C)CCC1=O 299808792 SSWUIXHLQYARRL-BXUZGUMPSA-N 236.355 3.265 30 1 BGEF C#CCN(C)CCCC(=C)c1ccccc1 299844541 DRKIFMHTXNIAER-UHFFFAOYSA-N 213.324 3.045 30 1 BGEF Cc1ccc(/N=C2\CCCCCN2C)c(C#N)c1 13111114 NOROOZYXBXRQNO-BMRADRMJSA-N 241.338 3.403 30 1 BGEF C=C[C@@H](/C=C(\C)COC(=O)CC)C(=C)C 14583973 UYACSVLHQPEITQ-OBIHZWKSSA-N 208.301 3.264 30 1 BGEF endogenous,in-man C=CCN1CCc2cccc3c2[C@H](CCC3)C1 27717829 HGOHHVSAARYECT-OAHLLOKOSA-N 227.351 3.151 30 1 BGEF CC(C)=CCCC1=CCC2=C(C1)C(=O)C=CC2=O 38148070 ZSZWLHLIALYGGQ-UHFFFAOYSA-N 242.318 3.458 30 1 BGEF Cc1ccc(/C=C/C(=O)c2occc2O)cc1 103194563 BYAVYKLRSLOCAQ-VOTSOKGWSA-N 228.247 3.190 30 1 BGEF C[C@H]1COc2cc3c(cc21)C(C)(C)C(=O)C=C3 2356324369 IBKIZGBXISNJPH-VIFPVBQESA-N 228.291 3.056 30 1 BGEF CCC(=O)c1ccc(-c2ccc(C#N)n2C)cc1 58534200 VGBJCCQABWMSBU-UHFFFAOYSA-N 238.290 3.156 30 1 BGEF C/C(CO)=C1\C/C=C(\C)CC/C=C(\C)CC1=O 100898416 OYONKNQJEXRUQZ-AMEYMCPOSA-N 234.339 3.331 30 1 BGEF in-vitro C=C1C(=O)O[C@H]2[C@@H]1CC[C@@]1(C)CCC=C(C)[C@H]21 238739844 UHODXTMZSDNATP-GUIRCDHDSA-N 232.323 3.241 30 1 BGEF C[C@H]1Cc2ccccc2N1/N=C/c1ccccc1 1857579775 YSLBUQFCINNUNB-VLURKWGBSA-N 236.318 3.472 30 1 BGEF CC(=CCC[C@H](C)O)CC1=CC(C)(C)CC1=O 2356544479 QHKJUIWBOYJWOU-LBPRGKRZSA-N 236.355 3.409 30 1 BGEF CCCCCCCCC[C@@H](OC(C)=O)[C@@H](C)N 2356574827 OKTFCWHLWHAORS-TZMCWYRMSA-N 243.391 3.406 30 1 BGEF CC1=CC[C@@]2(CC1=O)[C@@H](C)CC(=O)[C@H]2C(C)C 13307512 SXHQJMKFQDMBIW-NILFDRSVSA-N 234.339 3.163 30 1 BGEF in-man CC(C)=CC(=O)/C=C(/C)CCCC1=CC(=O)OC1 238760420 SZHJDXKBXJJFHM-WQLSENKSSA-N 248.322 3.122 30 1 BGEF CC=CC#CC#CC=CC=CCCCCC(=O)O 2356378594 QRMUVFBZROTBPM-UHFFFAOYSA-N 242.318 3.327 30 1 BGEF C=C1C(=O)O[C@@H]2CC3=CC[C@H](C)C[C@]3(C)C[C@H]12 2356740991 AQPIMJDQWZKEOR-XRFFLINXSA-N 232.323 3.241 30 1 BGEF CC1=CC2=CC(C)(C)OC(c3ccoc3)=C2C1=O 12153732 ZBPDUCOIPHVDSN-UHFFFAOYSA-N 242.274 3.255 30 1 BGEF biogenic CC(C)=CC(=O)C/C(C)=C/CCC1=CC(=O)OC1 144307811 QLOFUNCZFNBXPM-LFYBBSHMSA-N 248.322 3.122 30 1 BGEF C[C@@H]1C[C@@H]1C(=O)c1coc2cc(C#N)ccc12 587277857 GEQHENWGBSBNME-KCJUWKMLSA-N 225.247 3.143 30 1 BGEF C=CCC(C)(C)c1nc2ccc(OC)cc2[nH]1 587954236 KHGGUHPDUKTUHI-UHFFFAOYSA-N 230.311 3.425 30 1 BGEF N#CCC(=O)c1cccc(-c2ccccc2)c1 14960881 HECSGVSUFFZFSD-UHFFFAOYSA-N 221.259 3.450 30 1 BGEF C=C1CCC[C@@]2(C)Cc3occ(C)c3C[C@@]12O 15160003 RAUXZHDMRMHNGJ-LSDHHAIUSA-N 232.323 3.164 30 1 BGEF biogenic CC1=CC(=O)[C@@H]2C(C)(C)CCC[C@@]2(C)[C@H]1C=O 238778444 VBPAVCXYWPAVHG-LNSITVRQSA-N 234.339 3.163 30 1 BGEF C/C=C/C#CC#C/C=C/C=C/C=C/[C@H](O)CCC 238745325 XBPLQOPYICQPRZ-YBSFBDOZSA-N 240.346 3.399 30 1 BGEF C=CC(C)(C)c1nc2ccc(C)cc2[nH]1 587954165 GMIUJGMRXMWOTG-UHFFFAOYSA-N 200.285 3.335 30 1 BGEF CCC[C@]1(CC#N)NCCc2cc(C)c(F)cc21 962142059 DXEUYQPCTCSBJX-OAHLLOKOSA-N 246.329 3.189 30 1 BGEF CC(C)=CCC=C(C)[C@@H]1C[C@H](O)C(C)=CC1=O 2356769318 BFOSUQZIPYHFHA-KBPBESRZSA-N 234.339 3.185 30 1 BGEF C=C1C(=O)O[C@H]2[C@H]1CC[C@]1(C)CCCC(=C)[C@H]21 5492594 XUYAKPXYKQEFPD-XFMPKHEZSA-N 232.323 3.241 30 1 BGEF C=CC(C)(C)c1nc2cncc(Cl)c2[nH]1 587954359 QLGBQQDMUHRBRY-UHFFFAOYSA-N 221.691 3.075 30 1 BGEF Nc1ccc(C=CC(=NO)c2ccccc2)cc1 2356312093 YEWFNOQWQBJAKY-UHFFFAOYSA-N 238.290 3.161 30 1 BGEF C=C1CC[C@@H]2CC[C@@H](CO)[C@@]23C[C@H]1C3(C)C 2356469730 YLWPFKYITUSRND-QVHKTLOISA-N 220.356 3.387 30 1 BGEF C=C(C)Cn1nc2cc1Oc1ccc(F)cc1-2 587874527 FDLPLLIYAKUNGY-UHFFFAOYSA-N 230.242 3.371 30 1 BGEF C=C(C)C#C[C@H](Cc1ccccc1)NCC1CC1 203471439 WVARLNDMVIIWIB-QGZVFWFLSA-N 239.362 3.177 30 3 BGEF CCCN(CC)[C@@H]1CCC2=C(CCCC2=O)C1 3990453 TZEGNEPVLMOQPG-CYBMUJFWSA-N 235.371 3.320 30 1 BGEF C=C1C(=O)O[C@@H]2C3=C(C)CCC[C@@]3(C)CC[C@H]12 5766689 PJPHIAMRKUNVSU-ZLDLUXBVSA-N 232.323 3.385 30 1 BGEF biogenic CC(C)[C@@H]1CC[C@]2(C)[C@H]3CC[C@H](C=O)[C@@H](O3)[C@H]12 2356431630 XVCBCGVWVYCAMM-ARSDKDGVSA-N 236.355 3.051 30 1 BGEF C[C@H]1CCC[C@@H]2CC(=O)C(C(C)(C)O)=C[C@@]12C 14450822 LYFRYUAWUBLCKH-RWSFTLGLSA-N 236.355 3.099 30 1 BGEF endogenous,in-man C=C1C[C@@H]1CCOC(=O)c1ccc(OCC)cc1 26580365 RIFHJYRWFSZKDD-ZDUSSCGKSA-N 246.306 3.208 30 1 BGEF O/N=C/C=C/c1ccc(C(F)(F)F)cc1 45336054 RMWTWCLFUMUEIC-KGYSUWQBSA-N 215.174 3.179 30 1 BGEF N#Cc1cc(-c2cccc3ccccc23)c[nH]c1=O 95595339 KVQJIVIRWAYFCK-UHFFFAOYSA-N 246.269 3.067 30 1 BGEF C=C1C(=O)O[C@@H]2C(C)=CC[C@@H]3[C@H]2[C@H]1CC[C@H]3C 95912383 YNGRUBMFJCWPHB-SUDMAZQFSA-N 232.323 3.097 30 1 BGEF biogenic,in-vitro CC(C)=CC[C@@H](O)C(C)=C1CC=C(C)C(=O)C1 2356400839 LKJQQYRLCYCQSR-CQSZACIVSA-N 234.339 3.329 30 1 BGEF CCN(CC)c1ccc(-c2nocc2C#N)cc1 183584 ACNWTEMDIIGCPW-UHFFFAOYSA-N 241.294 3.059 30 1 BGEF C=C(C(=O)OC)[C@H]1C[C@@H]2C(=CC[C@H]2C)[C@]2(C)C[C@H]12 238737959 JJZQEGRFUHHHTH-FLBVZMSKSA-N 246.350 3.344 30 1 BGEF C=CC(C)(C)C1=Cc2ccc(OC)cc2CC1=O 238765782 KLCHUGOFQJJBMU-UHFFFAOYSA-N 242.318 3.416 30 1 BGEF C/C=C\C=C\C#C/C=C\C=C/CCOC(C)=O 238789304 OWDPPOSRJGPGQY-HCDTZKMESA-N 230.307 3.188 30 1 BGEF C=CC(C)(C)c1nc2cc(C)c(F)cc2[nH]1 587954100 CFTFAWLXYVPKPY-UHFFFAOYSA-N 218.275 3.474 30 1 BGEF C=CCC(C)(C)[C@H]1NCCc2c(C)ccnc21 963065401 DNKHJYYQSXLTAG-AWEZNQCLSA-N 230.355 3.179 30 1 BGEF CCS/C(=N/c1ccccc1Cl)NC 28343554 FFAPUCFSNIISGH-UHFFFAOYSA-N 228.748 3.300 30 1 BGEF C=C1[C@H]2C[C@H]2[C@]2(C)Cc3occ(C)c3C(=O)[C@@H]12 238764457 UPKXAFOUXMJEIY-VWFAINMRSA-N 228.291 3.155 30 1 BGEF C=CCC(C)(C)c1nc2cc(C)cnc2[nH]1 587954509 YDFADCLSVWVJQL-UHFFFAOYSA-N 215.300 3.120 30 1 BGEF CC(=O)C=C(C)NC[C@H]1[C@@H](CC(C)C)C1(C)C 2356734580 YVIJRNHZYQJESG-KGLIPLIRSA-N 237.387 3.387 30 1 BGEF C=C(C)CC[C@@H]1CC=[N+]([O-])O[C@@H]1C(C)(C)C 1861564 WSJCZVUMXFMQAW-NEPJUHHUSA-N 225.332 3.290 30 1 BGEF C=CCCCC/C=C/C=C/C#CC#C/C=C/CO 15269653 VNZGFKQARLEAQK-YJWTVKCOSA-N 240.346 3.401 30 1 BGEF CC1=CC[C@H](/C(C)=C\C(=O)CC(C)C)CC1=O 100782221 KXTCYNARSLCXMW-FSBNRTBOSA-N 234.339 3.473 30 1 BGEF endogenous,in-man CCO/N=C/Nc1cc(Cl)cc(Cl)c1 103177438 WJFZYEJFJGGGRJ-UHFFFAOYSA-N 233.098 3.385 30 1 BGEF O=C(O)/C=C/c1ccc(C#Cc2ccccc2)cc1 44201285 RKMLTNOMIHKPEO-OUKQBFOZSA-N 248.281 3.184 30 1 BGEF C=C(F)C#Cc1cc(Cl)ccc1OC 587913096 WSPYGFLZXDETRL-UHFFFAOYSA-N 210.635 3.183 30 1 BGEF Cc1sc2c(c1C)CCN[C@]2(C)C[C@@H](C)C#N 963020973 ISPHVMWBPNOTPP-YMTOWFKASA-N 248.395 3.276 30 1 BGEF CC(CO)=C1C[C@]2(C)[C@@H](C)CCC[C@@H]2CC1=O 2356760947 VDUFYEYMLATBTF-YWPYICTPSA-N 236.355 3.101 30 1 BGEF CCCCCCCCCC[C@]1(C(=O)OC)CO1 36338587 UWRGACHEUZLLER-CQSZACIVSA-N 242.359 3.459 30 1 BGEF C/C1=C/CC(C)(C)/C=C/C(=O)[C@H](C)[C@H](N)CC1 169370247 SXHWJVDYMLLXKF-HPOQZMLASA-N 235.371 3.232 30 1 BGEF C=C1CCC2=C(C)C[C@@H]3OC(=O)[C@H](C)[C@H]3C[C@H]12 2356393202 CPKGJHHSPZHSMP-ZRJCITRHSA-N 232.323 3.241 30 1 BGEF CC1=CC[C@@H](C(C)=CC(=O)CC(C)C)CC1=O 2356554123 KXTCYNARSLCXMW-CYBMUJFWSA-N 234.339 3.473 30 1 BGEF N#Cc1c(Nc2ccccc2)[nH]c2cccnc12 13490313 SGMYLXVPEORMLN-UHFFFAOYSA-N 234.262 3.178 30 1 BGEF CC(=O)Oc1ccccc1SCCCCC#N 13782102 JIITYQYRCZVJHH-UHFFFAOYSA-N 249.335 3.398 30 1 BGEF CCO/C(O)=C1\CSC\C1=N\c1ccccc1 103052051 ISVQHQAODOLWFD-KPGXXQICSA-N 249.335 3.312 30 1 BGEF CCCCCCCCCC=C[C@H](O)[C@H](C)N 2356853590 RHSGKBXFWFDFGN-KBPBESRZSA-N 227.392 3.391 30 1 BGEF C=C1CCC[C@@]2(C)Cc3occ(C)c3C[C@]12O 15160001 RAUXZHDMRMHNGJ-GJZGRUSLSA-N 232.323 3.164 30 1 BGEF biogenic C=CC(C)(C)n1cc(C(=O)OC)c2ccccc21 14517093 YVHMEMILZVDHEE-UHFFFAOYSA-N 243.306 3.349 30 1 BGEF biogenic C=C1CCC[C@]2(C)C[C@@H]3OC(=O)[C@H](C)[C@@H]3C[C@H]12 5530706 YYJRTJYCOMIDIC-GEJOOGBSSA-N 234.339 3.321 30 1 BGEF endogenous,in-man C[C@@H]1CCC[C@@H]2CC(=O)C(C(C)(C)O)=C[C@]12C 85848519 LYFRYUAWUBLCKH-UEKVPHQBSA-N 236.355 3.099 30 1 BGEF endogenous,in-man CC1(C)/C=C\C[C@]2(C)O[C@@H]2CC[C@]2(C)O[C@@H]2C1 104381370 UFBUQKAQYQDEOE-NTTJEWFOSA-N 236.355 3.458 30 1 BGEF endogenous,in-man CC1=CCC[C@]2(C)O[C@H]2CC(C)(C)C=C[C@H]1O 2356788398 WYTCGROMPOXACM-IPYPFGDCSA-N 236.355 3.217 30 1 BGEF CCCSC1=C(C)C(=O)c2ccccc2C1=O 26653395 NPTNFNUFQOMFJR-UHFFFAOYSA-N 246.331 3.483 30 1 BGEF CC(C)[C@H]1CC[C@]2(C)[C@H]3CC[C@H](C=O)[C@H](O3)[C@H]12 96086274 XVCBCGVWVYCAMM-PMXAPFLYSA-N 236.355 3.051 30 1 BGEF C[C@H]1C=CN(/N=C/c2cccc3ccccc23)O1 103277705 WRZMTQUXINCDFG-JASJWYONSA-N 238.290 3.323 30 1 BGEF C=C[C@@](C)(O)C/C=C/C(C)=C/C(=O)C=C(C)C 206296329 VJTLYZMVAHGVGD-NNOXNVAKSA-N 234.339 3.351 30 1 BGEF C=C(C)[C@H](O)CC[C@@]1(C)[C@@H]2C[C@H]3[C@@H](C2)[C@]31C 238744752 JWTCIAANPDAOIC-QLKXBERHSA-N 220.356 3.386 30 1 BGEF C=C[C@]1(C)Cc2occc2C(=O)[C@@H]1C(=C)C 2356417243 VWMGCBJDKSYUER-GXTWGEPZSA-N 216.280 3.403 30 1 BGEF CCC1=CC(=O)C[C@]1(C)[C@]1(C)C=C[C@](C)(O)CC1 2356698281 PMKBLBAZMBIJRX-PMPSAXMXSA-N 248.366 3.409 30 1 BGEF Cc1ccc(/C=C\C(=O)C[C@@H](O)CC(C)C)cc1 28572519 HENQHAPJXTXILB-QWGSZXSUSA-N 246.350 3.374 30 1 BGEF C=CCN1CC[C@@]2(C)c3ccccc3C[C@H]1[C@@H]2C 100719704 DCDPEUIZVWTSCT-RRQGHBQHSA-N 241.378 3.397 30 1 BGEF CC(C)(O)[C@@H]1CC[C@]2(C)CCC[C@]3(CO3)[C@@H]2C1 2356605479 HWVOWADURBSEPQ-UXOAXIEHSA-N 238.371 3.133 30 1 BGEF CCO/N=C/Nc1ccc(OCC)c(Cl)c1 103181852 PFNVUFSPSYHZQY-UHFFFAOYSA-N 242.706 3.130 30 1 BGEF C=C1CCC2=C(C)CC[C@@H]3[C@H](C)C(=O)O[C@H]3[C@H]12 2356465634 BEOCXRAFSKTCDN-IGHBBLSQSA-N 232.323 3.241 30 1 BGEF CCCCCCCC=CC=C[C@H](O)[C@@H](C)N 2356809397 AQNTYHYSJAGMGF-KGLIPLIRSA-N 225.376 3.167 30 1 BGEF C=C(C)[C@H]1CC[C@@]2(C)CC[C@@H](O)[C@@]3(C)O[C@@]23C1 15206926 AXKKANUAFIGTQI-ZQNQSHIBSA-N 236.355 3.051 30 1 BGEF endogenous,in-man C=CCN1CC[C@@]2(C)c3ccccc3C[C@@H]1[C@@H]2C 34743347 DCDPEUIZVWTSCT-IAOVAPTHSA-N 241.378 3.397 30 1 BGEF CC(C)[C@@H]1CC[C@@H](C)C/C1=N\CCCC(=O)O 103195630 PJBPJVMCCWFJOT-JMTOIOOESA-N 239.359 3.384 30 1 BGEF CC(C)=CC(=O)[C@H]1[C@@H](C)CC[C@@]1(O)c1ccoc1 238764009 MZISRFGDZVZINJ-NILFDRSVSA-N 248.322 3.049 30 1 BGEF C=C1C(=O)O[C@@H]2C=C(C)CCC=CCC[C@@H]12 2356630609 XVYSFJOWUXMIEN-QWHCGFSZSA-N 218.296 3.161 30 1 BGEF CSc1c(C#N)c(-c2ccc(F)cc2)cn1C 28365983 JSNYEJSWNZHQCC-UHFFFAOYSA-N 246.310 3.425 30 1 BGEF CN(C1=CC(=O)c2ccccc21)C1CCCC1 29064154 SOXHLWXTGMQCJM-UHFFFAOYSA-N 227.307 3.098 30 1 BGEF CCCC(=O)c1coc2cc(C#N)ccc12 587278838 MLDQFMDFALLFOO-UHFFFAOYSA-N 213.236 3.287 30 1 BGEF C=C1C(=O)O[C@@H]2C3=C(C)C=CC3=C(C)CC[C@H]12 15264772 GTSCJRHAZCEOEN-OCCSQVGLSA-N 228.291 3.081 30 1 BGEF biogenic N#Cc1ccc(-c2cccc([C@H]3C[C@@H]3CN)c2)cc1 34893506 JBTMIDCEWNGQRZ-IAGOWNOFSA-N 248.329 3.287 30 1 BGEF C/C=C(/C)C(=O)c1coc2cc([N+](=O)[O-])ccc12 587278966 CGQVMVBSQGOOOL-BAQGIRSFSA-N 245.234 3.490 30 1 BGEF CSCCC(=O)c1coc2cc(C#N)ccc12 587279572 LWVGGOFCDTVQJA-UHFFFAOYSA-N 245.303 3.240 30 1 BGEF C=CCCCCCCC=CC[C@H](O)[C@H](C)N 2356791425 GRWYXVVLXCKOLO-KBPBESRZSA-N 225.376 3.167 30 1 BGEF CC1=C2C[C@@H](C(C)(C)O)CC[C@@]2(C)C=CC1=O 14452367 LANJJAPTVZVEFL-NHYWBVRUSA-N 234.339 3.019 30 1 BGEF biogenic C(=N/Nc1cnc2ccccc2n1)\c1ccccc1 103258038 PJMRMTRYDZMQEX-LICLKQGHSA-N 248.289 3.076 30 1 BGEF C=C1CC[C@@H]2[C@@H](CO)C(C)(C)[C@@H]3CC[C@]12C3 238761394 BDRJJYPGRSKGEP-BHPKHCPMSA-N 220.356 3.387 30 1 BGEF C(#CC1CC1)Cc1cnc2cccc3c2c1CC3 587213478 IXUUZFKPUMCQET-UHFFFAOYSA-N 233.314 3.289 30 1 BGEF CC(O)=CC(=O)c1ccc2ccccc2c1 2356854541 RPXMDPFQHCCMND-UHFFFAOYSA-N 212.248 3.484 30 1 BGEF C=C(CCCO)[C@@H]1CC(C)(C)[C@@H]1CCC(C)=O 14508580 MAIZBVUEICRYMG-UONOGXRCSA-N 238.371 3.347 30 1 BGEF biogenic O=C(NO)c1ccc2cc3ccccc3cc2c1 28092696 YGGCUZPPJKJWPE-UHFFFAOYSA-N 237.258 3.112 30 1 BGEF in-vivo C=C1C(=O)O[C@@H]2C3=C(C)CC[C@@H]3[C@H](C)CC[C@@H]12 238733754 JYYNSFOOPDMSTI-XFOOOJQKSA-N 232.323 3.241 30 1 BGEF CCCCC(=O)C#Cc1ccc(F)c(F)c1 1911580777 CHJYAEZFJQDACN-UHFFFAOYSA-N 222.234 3.076 30 1 BGEF C=C[C@](C)(O)CCC=C(C)C(=O)c1cc(C)co1 2356692834 MMJJWZIDBAJCJK-HNNXBMFYSA-N 248.322 3.434 30 1 BGEF C=C1C(=O)O[C@H]2C[C@@]3(C)CCC[C@@H](C)C3=C[C@@H]12 1607782 PXOYOCNNSUAQNS-WRPZCXLFSA-N 232.323 3.241 30 1 BGEF endogenous,in-man C=C1CC[C@@H]2C(=C)C(=O)O[C@@H]2[C@H]2C(=C)CC[C@H]12 6361657 NETSQGRTUNRXEO-MQYQWHSLSA-N 230.307 3.017 30 1 BGEF biogenic,in-vitro O=C(O)[C@H](CCCCS)Cc1ccccc1 27656248 XHGXYIIPGXQIEE-GFCCVEGCSA-N 238.352 3.030 30 1 BGEF C=C1CC(C#N)(C#N)[C@@H]2C[C@@H]3CCC[C@@H]3[C@H]12 31852440 FDQPAYVZNFVBJK-RVMXOQNASA-N 212.296 3.032 30 1 BGEF C=CCc1cccc(OC)c1OCCC 103284804 MQFDLMABISBAGV-UHFFFAOYSA-N 206.285 3.213 30 1 BGEF CC(C)(C)/[N+]([O-])=C/c1ccc(C(F)(F)F)cc1 36457178 SNWHLSIUZACNST-PXNMLYILSA-N 245.244 3.433 30 1 BGEF CO/N=C(/Cc1ccccc1)c1ccc(F)cc1 72937965 KDSPLHJMVKFBQU-ICFOKQHNSA-N 243.281 3.419 30 1 BGEF C/C1=C\CC(C)(C)/C=C/C(=O)/C(C)=C/[C@H](O)C1 100089091 NBVYFPSAUFQMAK-XVCAIJIUSA-N 234.339 3.185 30 1 BGEF biogenic,in-vitro C/C=C\C#CC#C/C=C\C=C/CCCOC(C)=O 199726416 BSPUEFFDQHCPTB-FKOOERBOSA-N 242.318 3.025 30 1 BGEF C=C1CC[C@@H](O)C[C@@H]1[C@@]1(C)O[C@@H]1CC=C(C)C 207101282 NKCBUMYAPXFQEQ-LXTVHRRPSA-N 236.355 3.217 30 1 BGEF COc1cc(/C=C2\CCCCC2=O)cc(OC)c1 1772599575 NQSNEFRNBFRJBE-KPKJPENVSA-N 246.306 3.230 30 1 BGEF CC1=C(O)[C@](C)(Cc2ccccc2C)SC1=O 101074650 JSQHUYZSBNGHMJ-AWEZNQCLSA-N 248.347 3.402 30 1 BGEF C=C(C)C(=O)[C@@H]1CC[C@@]2(O)CCC[C@@H](C)[C@]12C 14923129 VMHVLIDJNCCRLE-OSRDXIQISA-N 236.355 3.099 30 1 BGEF C=C1[C@H]2C[C@@H](O)[C@H](C)[C@@]23CC[C@H](C3)C1(C)C 33950743 JZLOTPMXLYBVOH-BGPZULBFSA-N 220.356 3.386 30 1 BGEF C(=N/Cc1cccnc1)\c1c[nH]c2ccccc12 103287820 YBRQIMKPFIMIED-LICLKQGHSA-N 235.290 3.182 30 1 BGEF C=C1/C=C/[C@@H]2C(=C)C(=O)O[C@H]2C/C(C)=C/CC1 238760077 YJLBOFKJSVUOID-NJKFZQBLSA-N 230.307 3.327 30 1 BGEF biogenic C=C1C(=O)C[C@@H]2[C@@H]1CC/C(C)=C/CC[C@@]1(C)O[C@@H]21 238772352 UIMHJAOZYISGTJ-PGGOTSGUSA-N 246.350 3.426 30 1 BGEF C=C(C)[C@@H]1CC(=O)C(C)=C2CC(=O)C(C)=C2C1 15264803 UYMHDKPGFDYSRZ-NSHDSACASA-N 230.307 3.147 30 1 BGEF biogenic,in-vitro CC[C@H](CO)/N=C1\C[C@H]2CC[C@]1(C)C2(C)C 73224186 GHYWKZMEMXIADF-BQFIDVOYSA-N 223.360 3.045 30 1 BGEF C=C1C(=O)C[C@H]2[C@@H]1CC/C(C)=C/CC[C@@]1(C)O[C@@H]21 103565945 UIMHJAOZYISGTJ-VMOXZRIASA-N 246.350 3.426 30 1 BGEF biogenic,in-vitro C/C=C/C#CC#C/C=C/C=C\CCCCCO 217828108 YAJHFXRUFPTBLG-MRKYAXMKSA-N 228.335 3.234 30 1 BGEF C=C(C)C(=O)c1coc2cc([N+](=O)[O-])ccc12 587279408 JHNGHBXVEZEMGH-UHFFFAOYSA-N 231.207 3.100 30 1 BGEF [O-]/[N+](Cc1ccccc1)=C1/CCc2ccccc21 1857650180 BSBWVPNPDJKPOF-MSUUIHNZSA-N 237.302 3.132 30 1 BGEF CC[C@H](C)CC(=O)Oc1ccc([C@@H]2O[C@@H]2C)cc1 2356600225 FFUFLYAPXFJSBF-FIXISWKDSA-N 248.322 3.488 30 1 BGEF C=C(C)/C=C/c1ccc2c(C(=O)O)c[nH]c2c1 14590535 DGRQZYNJXNNHBY-ONEGZZNKSA-N 227.263 3.455 30 1 BGEF C=C1CCC[C@@]2(C)C[C@@H]3OC(=O)[C@H](C)[C@H]3C[C@H]12 15207258 YYJRTJYCOMIDIC-NTASLKFISA-N 234.339 3.321 30 1 BGEF endogenous,in-man C=C(C)[C@H]1Cc2c(C)nn(-c3ccccc3)c2C1 507306 OFEUDAGWZKZKMM-ZDUSSCGKSA-N 238.334 3.472 30 3 BGEF CC(C)C/N=C\Nc1ccc(-c2c[nH]cn2)cc1 13822057 OZIARCYVVSUGCW-UHFFFAOYSA-N 242.326 3.173 30 1 BGEF C/C1=C/CC[C@@]2(C)O[C@H]2CC(C)(C)/C=C\C1=O 96328227 UXYYOHOTPOQJPD-YXSBOCQOSA-N 234.339 3.426 30 1 BGEF CNc1nc(C#N)c(-c2cccc3ccccc23)o1 169334432 SVPQOHHQRXJMHE-UHFFFAOYSA-N 249.273 3.408 30 1 BGEF C=C(C(=O)O)[C@@H]1CCc2c(C)ccc(C)c2C1 238789074 LLQLOPCXEALFFD-GFCCVEGCSA-N 230.307 3.049 30 1 BGEF C=C1C(=O)O[C@H]2C[C@]3(C)CCC[C@H](C)C3=C[C@@H]12 2508129 PXOYOCNNSUAQNS-PBLBJHRBSA-N 232.323 3.241 30 1 BGEF endogenous,in-man C(#Cc1ccc2ccccc2n1)c1cccnc1 95590985 BYAIJRIWXJWMPS-UHFFFAOYSA-N 230.270 3.030 30 1 BGEF CC(C)=CCC/C(C)=C1/CC(=O)C(C)=C[C@H]1O 238788719 IJJMGKKVCJEOHH-BMOGTNHUSA-N 234.339 3.329 30 1 BGEF CC(C)=C1C[C@H]2[C@@H](CC[C@@H](C)O)[C@]2(C)CC1=O 100776836 OQZCUYXRSFWCJU-PBOSXPJTSA-N 236.355 3.099 30 1 BGEF endogenous,in-man C=C1C=C[C@H](C(C)C)CC(=O)[C@@]2(CCC1)CO2 2356425982 VFPNKQAHPADWNP-DZGCQCFKSA-N 234.339 3.283 30 1 BGEF C=CCc1ccc(O)cc1OCCCCC#N 13650597 YGVAUQCHPKUHQH-UHFFFAOYSA-N 231.295 3.193 30 1 BGEF C=C1CCC(=O)[C@@]2(C)Cc3occ(C)c3C[C@H]12 15160010 AKNPMCISDQNRFC-DOMZBBRYSA-N 230.307 3.228 30 1 BGEF endogenous,in-man C=C1Cc2cocc2[C@H](O)[C@H]2CC(C)(C)C[C@@H]12 15168798 MXGHRCUEQWHPNC-SGMGOOAPSA-N 232.323 3.478 30 1 BGEF biogenic C=C1[C@H]2CCC(=O)[C@@]23CC[C@H](C3)C1(C)C 33950652 BDHSOIIDXCBNPA-JTNHKYCSSA-N 204.313 3.348 30 1 BGEF N#Cc1cc2ccccn2c1C(=O)c1ccccc1 71295287 GWICKNZBNAELLQ-UHFFFAOYSA-N 246.269 3.042 30 1 BGEF C=C1C(=O)O[C@@H]2[C@@H]1CC[C@]1(C)CCCC(=C)[C@H]21 238764707 XUYAKPXYKQEFPD-BHPKHCPMSA-N 232.323 3.241 30 1 BGEF C=C[C@@]1(C)CC[C@@H]([C@](C)(O)C/C=C/C(=C)C)O1 238789168 PUIJLDUDGLGOIA-GSMFTCMCSA-N 236.355 3.384 30 1 BGEF C=C[C@@H]1C[C@H](C)C[C@H](C)[C@H]1c1c(O)ccnc1O 473132466 SWIJWROLKBJDFO-LSCVPOLPSA-N 247.338 3.445 30 1 BGEF C=C1CC[C@@H]2[C@H]([C@@H]3C[C@H](C)C[C@H]13)[C@]2(C)CN 2356374087 NDTNPKKWPZTXBH-NBDGVFSVSA-N 219.372 3.210 30 1 BGEF CC1=CC(=O)[C@H]([C@H](C)CC/C=C(\C)CO)CC1 13377262 FVWXOTXIQKDBTG-KYYFYTAESA-N 236.355 3.267 30 1 BGEF COc1ccc(/N=C2/C=C(O)CCC2)c(OC)c1 104098248 RLOVNJUNRPENTI-XNTDXEJSSA-N 247.294 3.402 30 1 BGEF CC1=C[C@@H](O)C(C)(C)C=CC(=O)C(C)=CCC1 2356638045 PXEHDVGCVODKBI-CQSZACIVSA-N 234.339 3.185 30 1 BGEF C=C1CC[C@@]23C[C@@H]1C(C)(C)[C@@H]2[C@@H](O)C[C@H]3C 85488774 XXEZIFFYVUWPSP-MCZMQQNQSA-N 220.356 3.386 30 1 BGEF biogenic,in-vitro C/C(=N\Cc1cccnc1)c1ccccc1 103287823 WKEFMRBNYRGYMN-FOWTUZBSSA-N 210.280 3.091 30 1 BGEF C=C1C(=O)O[C@@H]2C[C@]3(C)CCC[C@H](C)[C@@H]3C[C@@H]12 2356501665 JXQAFXNUAFUSQA-AWGMJQRXSA-N 234.339 3.321 30 1 BGEF C=CCN1CC[C@]2(C)c3ccccc3C[C@H]1[C@H]2C 13742436 DCDPEUIZVWTSCT-COXVUDFISA-N 241.378 3.397 30 1 BGEF CC[C@H](O)CCC=CC#Cc1cccs1 2356450602 BDOXYFSAWLGAAI-LBPRGKRZSA-N 220.337 3.207 30 1 BGEF CCC[C@@]12CCC(=O)C=C1c1ccc(O)cc1C2 34633784 RPPGVDYXUYGNDX-INIZCTEOSA-N 242.318 3.481 30 1 BGEF CCCCCCCCC[C@H]1OC(=O)C[C@@H]1OC 103625386 BGVZUQFZXIYKSV-OLZOCXBDSA-N 242.359 3.458 30 1 BGEF CC(=O)/C=C/C[C@@H](C)[C@H]1CCC(C)=CC1=O 238770804 DBDPAGHPZRJFOC-CBHWHFHUSA-N 220.312 3.083 30 1 BGEF CC(C)(C)c1[nH]c2cccc([N+](=O)[O-])c2c1C#N 587647351 WSPCNIQYTWXQDA-UHFFFAOYSA-N 243.266 3.245 30 1 BGEF C=C(C)[C@@H]1C[C@]2(C)[C@H](C)CC[C@@H]3O[C@]32CC1=O 2356687310 LIDIQYFRVZJBKG-ZVJHWVFESA-N 234.339 3.115 30 1 BGEF C=CCN1[C@H](C)Cc2ccccc2[C@H]1C 28247348 DAYJPDHSHGZODO-VXGBXAGGSA-N 201.313 3.180 30 1 BGEF C=C(C)[C@@H]1CC[C@]2(CO)C=CC(=O)[C@H](C)[C@]2(C)C1 2356805326 ZSFJQJFUDFUTDS-LQKXBSAESA-N 248.366 3.123 30 1 BGEF CC(C)=CCC[C@@H](C)[C@@H]1C[C@@H](O)C(C)=CC1=O 14444286 WCPOFVDXHFDXHS-KWCYVHTRSA-N 236.355 3.265 30 1 BGEF CC(=O)N(O)[C@@H](C)c1ccc2ccccc2c1 27555978 JLSBQICBTCDVGP-JTQLQIEISA-N 229.279 3.139 30 1 BGEF C=C1C(=O)O[C@H]2C[C@]3(C)CCC=C(C)[C@H]3C[C@@H]12 139736967 PQRAHHQIYITFCT-XFMPKHEZSA-N 232.323 3.241 30 1 BGEF C=C1CCC2=C(C)CC[C@@H]3[C@H](C)C(=O)O[C@@H]3[C@H]12 2356465632 BEOCXRAFSKTCDN-ASEORRQLSA-N 232.323 3.241 30 1 BGEF CC(C)(C)c1[nH]c2c(C(=O)O)cccc2c1C#N 587637786 IZOFDNMHIVJWMK-UHFFFAOYSA-N 242.278 3.035 30 1 BGEF C/C1=C\CC(C)(C)[C@@H]2CC[C@](C)(O)C2=CC1=O 49055370 DALCJJKJCXNGKA-MSZUPMKKSA-N 234.339 3.019 30 1 BGEF CC(C)=C1C[C@H]2[C@@H](CC[C@H](C)O)[C@]2(C)CC1=O 100776839 OQZCUYXRSFWCJU-QJZXMWHDSA-N 236.355 3.099 30 1 BGEF endogenous,in-man C=C(C)[C@H]1CC=C(CN2C[C@@H](C)O[C@H](C)C2)CC1 19632673 HABGVALJRPPCLM-FMKPAKJESA-N 249.398 3.398 30 1 BGEF C=C1C(=O)O[C@@H](C)C[C@H]1C1CCCCC1 45253850 HQFXLTQKXYJLIY-JOYOIKCWSA-N 208.301 3.075 30 1 BGEF C=CC(C)(C)c1nc2ccc(OC)cc2[nH]1 587954447 VLYFYNUBZQIOHV-UHFFFAOYSA-N 216.284 3.035 30 1 BGEF C=C(CCOC)CC[C@H]1CCCCC(=C)[C@H]1O 5922660 MNXKOOGIOKCMAM-HUUCEWRRSA-N 238.371 3.467 30 1 BGEF C=C1C(=O)O[C@@H]2CC(=C)[C@@H]3CCC(=C)[C@@H]3C[C@@H]12 15264974 IKRIZEKDIQYHTL-XDQVBPFNSA-N 230.307 3.017 30 1 BGEF biogenic CC1(C)CCC[C@@]2(CO2)[C@H]2CC[C@@]3(C)O[C@H]3[C@@H]21 169675284 NPCUVKWCXITFFV-SZWZKDINSA-N 236.355 3.149 30 1 BGEF C=C1C[C@H](O)C=C(C)CC[C@H](C(C)C)[C@@H](O)C1 2356335578 AQEMBMAEIOQGCX-KFWWJZLASA-N 238.371 3.057 30 1 BGEF Cc1ccc2cc(C)c(SCC#N)nc2c1 4093262 UTGBRARZDLGMRQ-UHFFFAOYSA-N 228.320 3.467 30 3 BGEF CC(C)=CCC[C@](C)(O)[C@H]1CC=C(C)C(=O)C1 14444308 VEWUIXZHFZRBOM-ZFWWWQNUSA-N 236.355 3.409 30 1 BGEF biogenic CC1=C2C=C(C(C)C)CC[C@@]2(C)[C@@H](O)CC1=O 14452346 VYOQFQGGSXEVCX-LSDHHAIUSA-N 234.339 3.019 30 1 BGEF biogenic C[C@@H]1C[C@@H](C)[C@@H](C#N)N(C)c2ccccc21 17249269 LBEAHYPHXKKJKU-JTNHKYCSSA-N 214.312 3.158 30 1 BGEF C=C[C@@](C)(O)C[C@@H]1C=C(C)[C@H](CC=C(C)C)O1 238751388 QNHVMLXVTOJGNW-SOUVJXGZSA-N 236.355 3.384 30 1 BGEF C=C1C[C@@]23CC(C)(C)C[C@@H](O)[C@@]2(C)CC[C@H]1O3 2356393983 ZLPNWSNKVQFZIT-QHSBEEBCSA-N 236.355 3.051 30 1 BGEF C=CCCC(=O)c1coc2cc([N+](=O)[O-])ccc12 587279706 OZTNHNLUZWLZCT-UHFFFAOYSA-N 245.234 3.490 30 1 BGEF C=C1CC[C@@H]2C=CC[C@@H](C(C)C)[C@@H]2C1=O 2356699803 JRPMSLZDANNJTE-RWMBFGLXSA-N 204.313 3.370 30 1 BGEF CC[C@@H](C)N=C(C)c1cc2ccccc2oc1=O 2356751712 IPIYRPDYTFLECL-SNVBAGLBSA-N 243.306 3.401 30 1 BGEF CC1=CC(=O)[C@H]2[C@@H]3[C@@H](C(C)C)CC[C@@]2(C)[C@H]13 13407588 CTFSUCDHRVDRKG-OLOXDWRXSA-N 218.340 3.450 30 1 BGEF in-man CCCN1CCC[C@@H](c2cccc(CC#N)c2)C1 13738269 RURTXDUFVIOALE-MRXNPFEDSA-N 242.366 3.342 30 1 BGEF C=C(C)[C@H]1CC[C@H]2CCC=C3C(=O)OC[C@H]3[C@@H]21 14685171 VFMYSTYSSGVVLZ-OXHZDVMGSA-N 232.323 3.098 30 1 BGEF C[C@@H](N[C@@H](C#N)c1ccco1)c1ccccc1 31852030 KLWWALJBHIUJQT-YPMHNXCESA-N 226.279 3.195 30 1 BGEF N#Cc1ccc(-c2cnn3c2CCC3)c(Cl)c1 1857637051 WIEZIVNMTIKULD-UHFFFAOYSA-N 243.697 3.021 30 1 BGEF CC(C)=C1C[C@@]2(C)[C@H](CCC(=O)[C@@H]2C)CC1=O 1857652609 DVVIPFHCXZYXGY-FIXISWKDSA-N 234.339 3.307 30 1 BGEF CC(CO)=C1C[C@@]2(C)[C@@H](CCC[C@H]2C)CC1=O 2356760946 VDUFYEYMLATBTF-TYNCELHUSA-N 236.355 3.101 30 1 BGEF CC1=C2CC[C@@]3(C)[C@@H](O)[C@@H](C)C[C@@H]3[C@@H]2CCC1=O 169369350 MQUWOZCDCNPFTM-LRZXTXFSSA-N 248.366 3.099 30 1 BGEF C=C1C(=O)O[C@@H]2C[C@H](C)[C@@H]3CC=C(C)[C@@H]3C[C@@H]12 2356438428 FPYYHRVRNGJDJA-QXALJWCJSA-N 232.323 3.097 30 1 BGEF C(#C[C@@H]1C[C@H]1c1c[nH]cn1)CCC1CCCC1 13795278 FURHOQAKGUZQLH-ZIAGYGMSSA-N 228.339 3.487 30 1 BGEF CC(C)[C@@H]1CCC2=CC(=O)C[C@](C)(O)[C@]2(C)C1 85725472 OJDVMTKOUGIONZ-DFBGVHRSSA-N 236.355 3.099 30 1 BGEF CC(C)(C)[C@@H]1CC(=NO)C[C@H](C(C)(C)C)N1 103221647 VMDPFHYVISWISZ-PHIMTYICSA-N 226.364 3.029 30 1 BGEF C=C(C(=O)O)[C@H]1C=C2C(C)=CC=C2C(C)=CC1 238738727 VPDJBEHQUMUQDG-GFCCVEGCSA-N 228.291 3.406 30 1 BGEF C=C1[C@H]2C[C@@H](C[C@H]2CO)[C@]1(C)C1CCCC1 2356352491 VAAGZYITNDTUND-MYPMTAMASA-N 220.356 3.387 30 1 BGEF CC1=CCCC(CO)=CCC(C)(C)C=CC1=O 2356384021 IZKAIJSKFKIFNZ-UHFFFAOYSA-N 234.339 3.187 30 1 BGEF CC(C)(C)/[N+]([O-])=C/c1ccc(Cl)cc1 43065280 XWGAIHVBWBWYJM-JYRVWZFOSA-N 211.692 3.068 30 1 BGEF C=CCc1ccc(O)c(-c2ccc(O)cc2)c1 72118464 PHARZSAWYNACPU-UHFFFAOYSA-N 226.275 3.493 30 1 BGEF C=C1C(=O)O[C@H]2[C@@H]1CC=C(C)[C@@H]1CCC(=C)[C@H]21 105390790 BWRZDLYJNURUHS-CRWXNKLISA-N 230.307 3.017 30 1 BGEF CC1=CC(=O)[C@@H]2[C@@H]3[C@H]1[C@@]2(C)CC[C@@H]3C(C)C 139607550 CTFSUCDHRVDRKG-BGNCJLHMSA-N 218.340 3.450 30 1 BGEF C=C(CCC=C(C)C)[C@H]1CC(=O)[C@@H](C)[C@@H]1CO 238751899 GHVNGXHCQAFVBL-MJBXVCDLSA-N 236.355 3.123 30 1 BGEF CSCC(C)(C)c1nc2cccc(C#N)c2[nH]1 586968566 FXFFJFATEWEXKJ-UHFFFAOYSA-N 245.351 3.075 30 1 BGEF C[C@@H]1C[C@@H]1c1[nH]c2cc(F)ccc2c1C#N 587636019 XRYUOYGIOULACR-XCBNKYQSSA-N 214.243 3.302 30 1 BGEF C#CC[C@@](O)(c1ccccc1)c1ccc(C)cc1 2356283800 BNYUWPCFWOHELA-QGZVFWFLSA-N 236.314 3.254 30 1 BGEF CC1=CC[C@](C)([C@@]2(C)CC(=O)C=C2CO)CC1 14511071 FBSYQYBRVWGYEB-GJZGRUSLSA-N 234.339 3.021 30 1 BGEF biogenic CO/N=C(\c1ccc(Cl)cc1)c1cccnc1 72185922 AGZXPOGRYUDDFC-DTQAZKPQSA-N 246.697 3.134 30 1 BGEF C=CCC(C)(C)c1nc2c(C)nc(C)cc2[nH]1 587954437 VATHJPYGYBNTRH-UHFFFAOYSA-N 229.327 3.428 30 1 BGEF C=C(CC[C@@H](O)C(=C)C)[C@H]1CC=C(C)C(=O)C1 14444430 SXAYUEJYPDHZBO-UONOGXRCSA-N 234.339 3.185 30 1 BGEF biogenic CC1=C2C[C@H](C(C)(C)O)CC[C@H](C)[C@@H]2CC1=O 14454459 YXZJYDYPBCUCJX-WCQGTBRESA-N 236.355 3.099 30 1 BGEF biogenic C=C1C2=C(C=C3OC(=O)CC[C@H]13)OC(C)(C)CC2 14886671 SKCSBAMEPKQAIK-SNVBAGLBSA-N 246.306 3.236 30 1 BGEF biogenic C/C=C/C(=O)c1cc(O)c2ccccc2c1O 103229047 XHOLFISCHAITBY-GORDUTHDSA-N 228.247 3.010 30 1 BGEF CCC(=N\O)/C(C)=C/c1ccccc1F 116360282 WBVIPJUKXQYVQJ-CHBKHGQFSA-N 207.248 3.469 30 1 BGEF C=CCC(C)(C)c1nc2ccc(Cl)nc2[nH]1 587954124 DLVQGUYHRDHULE-UHFFFAOYSA-N 235.718 3.465 30 1 BGEF C=C1CCC2=C(C)C[C@@H]3OC(=O)[C@H](C)[C@@H]3C[C@H]12 2356393203 CPKGJHHSPZHSMP-ZZVYKPCYSA-N 232.323 3.241 30 1 BGEF C=C1C=C[C@@H](C(C)C)CC(=O)[C@]2(CCC1)CO2 2356425983 VFPNKQAHPADWNP-HIFRSBDPSA-N 234.339 3.283 30 1 BGEF CC1=C[C@@H]2C(=C(C)C)C(=O)C[C@@](C)(O)[C@H]2CC1 2356495500 UIBWDVKGBMMWPM-SLEUVZQESA-N 234.339 3.019 30 1 BGEF C=C[C@@H]1[C@@H](CC(C)=O)[C@H](C(C)C)CC[C@@]1(C)O 197257543 FXRBFYISZRPDKC-BYNSBNAKSA-N 238.371 3.201 30 1 BGEF C=C[C@]1(C)C=C2NC(=O)C(C)=C2C[C@H]1C(=C)C 205861155 KHYMPNHQRKVOEQ-SWLSCSKDSA-N 229.323 3.105 30 1 BGEF C=C1[C@H]2CC[C@@H]3[C@H]2C(C)(C)CC[C@@H](O)[C@]13C 238744027 ZLLRLWHITWYTAM-XLFUENPSSA-N 220.356 3.386 30 1 BGEF N#CCc1ccc(-c2cccc3nccn23)cc1 61929519 DQWVVWKAGIVGGL-UHFFFAOYSA-N 233.274 3.067 30 3 BGEF C=C1CCC(=O)[C@]2(C)Cc3occ(C)c3C[C@@H]12 15160009 AKNPMCISDQNRFC-SWLSCSKDSA-N 230.307 3.228 30 1 BGEF endogenous,in-man CC1=C(O)[C@@](C)(CCC(C)C)SC1=O 102156942 UAHIFWVFSFTKKC-LLVKDONJSA-N 214.330 3.287 30 1 BGEF CCCCCCCc1cc(C)cc(=O)o1 103168683 NZOIQQPLYQYQSZ-UHFFFAOYSA-N 208.301 3.461 30 1 BGEF Cc1coc2c1C=C1C(=C(O)CC[C@@H]1C)C2=O 238763988 ASSZHHIJFMPCLM-ZETCQYMHSA-N 230.263 3.410 30 1 BGEF C=C1CCC[C@]2(C)C=C3NC(=O)C(C)=C3C[C@H]12 13374153 RXTVBISZHPGQKT-IUODEOHRSA-N 229.323 3.083 30 1 BGEF biogenic C=C[C@@](C)(O)CCC[C@](C)(O)C/C=C/C(=C)C 15213693 DKXVALLHXIQEOG-VIGJRRFGSA-N 238.371 3.367 30 1 BGEF C=C(CN)c1cccc(COc2ccccc2)c1 299855587 BNCJYAVVGPLDNN-UHFFFAOYSA-N 239.318 3.238 30 1 BGEF CC1=CC2=C(CC(C)(C)C2=O)[C@@H](C)CC[C@H]1O 2356643587 XWJRORQTJORDHX-TVQRCGJNSA-N 234.339 3.019 30 1 BGEF O=c1ccoc2cc(C#Cc3ccccc3)ccc12 44604216 FOSUVWYBRCAGAE-UHFFFAOYSA-N 246.265 3.193 30 1 BGEF CC1=CC(=O)[C@H]2[C@H]3[C@H]1[C@]2(C)CC[C@@H]3C(C)C 100781018 CTFSUCDHRVDRKG-IKSZGEOFSA-N 218.340 3.450 30 1 BGEF endogenous,in-man Cc1c(CC#N)[nH]c2cc(Cl)c(F)cc12 587631033 VAYKQRLYAPVEPT-UHFFFAOYSA-N 222.650 3.335 30 1 BGEF C[C@H]1C[C@@H]1c1[nH]c2cc(F)ccc2c1C#N 587636020 XRYUOYGIOULACR-XVKPBYJWSA-N 214.243 3.302 30 1 BGEF C=C1CCCC(C)(C)[C@@H]1C[C@H]1C(=O)[C@@H]1CC=O 2356634658 LAZAQULRWSSBPS-JHJVBQTASA-N 234.339 3.163 30 1 BGEF C[C@H]1CC(=O)C=C2CCc3cc(Cl)ccc3N21 13813847 MOBQBGBOLOWQDH-VIFPVBQESA-N 247.725 3.338 30 1 BGEF C=C1C(=O)O[C@H]2[C@@H]1CCC(=C)[C@@H]1CCC(=C)[C@H]21 70454580 NETSQGRTUNRXEO-CRWXNKLISA-N 230.307 3.017 30 1 BGEF biogenic,in-vitro C=C1CC[C@H]2C[C@]3([C@H]1CC[C@H]3CO)C2(C)C 2356472574 BVQAARKEKMVAKI-ABHRYQDASA-N 220.356 3.387 30 1 BGEF C#CC[C@@](O)(c1ccccc1)c1ccc(F)cc1 2356283914 GOOMEWGDUWHWGA-MRXNPFEDSA-N 240.277 3.085 30 1 BGEF C=C1c2cc(O)c(C)cc2[C@@H](C(C)C)C[C@H]1O 13381385 TZQJUIQPFZWYSD-IAQYHMDHSA-N 232.323 3.218 30 1 BGEF biogenic C=C[C@H](c1ccccc1)c1ccc(O)c(O)c1 14652316 OTJLSKLGXRCVFQ-CYBMUJFWSA-N 226.275 3.416 30 1 BGEF biogenic C=C1CC[C@H]2[C@@H]([C@@H]3[C@@H]1CC[C@]3(C)O)C2(C)C 136908340 FRMCCTDTYSRUBE-MCZMQQNQSA-N 220.356 3.386 30 1 BGEF C[C@@H]1CC=CC2=C(O)C(=O)[C@@H]3[C@@H](C3(C)C)[C@]21C 2356325027 VRXRXQBGHXYMBN-OMCHNSJMSA-N 232.323 3.256 30 1 BGEF C[C@@H]1CC(=O)C=C2CC[C@@H](C(C)(C)O)C[C@]21C 14450814 OVISDQKZYWLLLK-HCKVZZMMSA-N 236.355 3.099 30 1 BGEF biogenic C=C1CCC[C@]2(C)Cc3occ(C)c3C[C@]12O 15160000 RAUXZHDMRMHNGJ-CABCVRRESA-N 232.323 3.164 30 1 BGEF biogenic CC(C)=CC(=O)c1coc2cc([N+](=O)[O-])ccc12 587279514 JXDXKZHEWHCOLO-UHFFFAOYSA-N 245.234 3.490 30 1 BGEF C=C[C@](C)(O)CCC=C(C)[C@@H](O)CC=C(C)C 2356519821 QNAJDMGVFWNPDH-GJZGRUSLSA-N 238.371 3.367 30 1 BGEF Cc1ccc2nc(-c3cc(O)cc(C#N)c3)[nH]c2c1 587191045 NCBJYKVPDCBJLY-UHFFFAOYSA-N 249.273 3.116 30 1 BGEF C=C1C[C@@]23CC(C)(C)C[C@H](O)[C@@]2(C)CC[C@H]1O3 2356393981 ZLPNWSNKVQFZIT-AYRXBEOTSA-N 236.355 3.051 30 1 BGEF C=C(CC=CC(C)(C)O)[C@@H]1CC[C@](C)(O)[C@H]1C 2356614940 OHSXDYRPKNCDOL-YDHLFZDLSA-N 238.371 3.057 30 1 BGEF CC(C)=C[C@H](O)C[C@H](C)[C@H]1CCC(C)=CC1=O 2356665490 IHIGGYYRDGHFEA-MELADBBJSA-N 236.355 3.265 30 1 BGEF CSC(=N/C=C/c1ccc(O)cc1)SC 14772503 VIQLDTHCJGLTLT-BQYQJAHWSA-N 239.365 3.445 30 1 BGEF [N-]=[N+]=Nc1cc([C@H]2C[C@H]3CC[C@H]2N3)cnc1Cl 253633317 IXNFUEZUMBBRKA-IWSPIJDZSA-N 249.705 3.285 30 1 BGEF C=C1O[C@H]2[C@H]3C(C)=CC[C@@H](O)[C@@]3(C)CC[C@@H]2[C@H]1C 2356737721 STIYXYABWPDGCS-UYJLRGKOSA-N 248.366 3.278 30 1 BGEF C#C[C@@H]1CC[C@]2(C)C=CC[C@H](COC(C)=O)[C@H]2C1 13385358 KMMNDPPHHXBLCB-FPCVCCKLSA-N 246.350 3.181 30 1 BGEF biogenic C=CCN[C@@H]1CCc2ccccc2[C@H]1CC=C 13826016 JONSUOPOTLJXPM-HZPDHXFCSA-N 227.351 3.437 30 1 BGEF C=CC[n+]1ccc2c(c1)[nH]c1ccc(Cl)cc12 38223400 YAGPMGGUUWODRM-UHFFFAOYSA-O 243.717 3.448 30 1 BGEF C=C1CC[C@H]2[C@]3(C)C(=O)C[C@H]4[C@H](C4(C)C)[C@@]123 103110215 HKUMSCVSDLYTMZ-KJMJJSJTSA-N 216.324 3.204 30 1 BGEF C=C1CC[C@H]2[C@@H](C)CC[C@@H]3C(=C)C(=O)O[C@H]3[C@H]12 2356545204 ODEYWUTXOUYPGX-RDSIVUJASA-N 232.323 3.097 30 1 BGEF CC(C)CCC1=C(O)C(=O)C2=C(CCCC2)C1=O 43552616 UUEPXKOCNLABHE-UHFFFAOYSA-N 248.322 3.257 30 1 BGEF N#Cc1ccc(/N=N/C(=O)c2ccccc2)cc1 1772580498 LRWTVGKSVPPXOS-WUKNDPDISA-N 235.246 3.482 30 1 BGEF C=C1C=C[C@@H]2C(=C)C(=O)O[C@H]2CC(C)=CCC1 2356635275 YJLBOFKJSVUOID-KGLIPLIRSA-N 230.307 3.327 30 1 BGEF Fc1ccccc1/C=N/Cc1ccccc1 42988812 IKAOKXYVBPMBSS-LFIBNONCSA-N 213.255 3.445 30 1 BGEF CC1=C2CC[C@]3(C)[C@@H](O)[C@@H](C)C[C@@H]3[C@@H]2CCC1=O 169369351 MQUWOZCDCNPFTM-OFQRWPDDSA-N 248.366 3.099 30 1 BGEF CCCC=CC(=O)CCc1ccc(O)c(OC)c1 2356396590 PHHDVGGCTAPBHF-UHFFFAOYSA-N 248.322 3.259 30 1 BGEF C[C@@H]1C=CN(/N=C/c2cccc3ccccc23)O1 103277703 WRZMTQUXINCDFG-PILJQMSFSA-N 238.290 3.323 30 1 BGEF CC[C@@H](C)NC[C@@H](S)c1ccccc1 621431280 ZFCAFPPIZZSHQY-ZYHUDNBSSA-N 209.358 3.046 30 1 BGEF C=C1C(C(=O)OC)=C[C@]2(C)CC[C@@H]3[C@H](C)CC[C@]132 2356321279 CSZCXCASSYBWFQ-CKSBHJLBSA-N 246.350 3.488 30 1 BGEF CC1=C2C(=O)c3c(C)coc3C[C@]2(C)[C@H]2C[C@H]12 2356403457 JWUZQAFWZLAXJS-HFBDOXOYSA-N 228.291 3.299 30 1 BGEF CC(C)/N=C1/CCc2c1n(C)c1ccccc21 27707794 FXYBBYKBXIOIEH-SSZFMOIBSA-N 226.323 3.322 30 1 BGEF C=CCc1ccc(O)c(-c2ccn(CC=C)n2)c1 1857567629 DWOHYUFSQRAMEQ-UHFFFAOYSA-N 240.306 3.170 30 1 BGEF C=C1[C@H]2C[C@H]2[C@]2(C)Cc3occ(C)c3[C@@H](O)[C@@H]12 238788361 XRDJYSVGPBJZSG-ZXMBVREDSA-N 230.307 3.006 30 1 BGEF CC1=C2C[C@](O)(C(C)C)CC[C@@H](C)[C@H]2CC1=O 2356791009 GHLQAKFVITUUSL-HCKVZZMMSA-N 236.355 3.099 30 1 BGEF C=C(C)[C@@H](O)CCC(=C)[C@H]1CC=C(C)C(=O)C1 14444428 SXAYUEJYPDHZBO-KBPBESRZSA-N 234.339 3.185 30 1 BGEF biogenic C=C(CC=CC(C)(C)O)[C@@H]1CC[C@@](C)(O)[C@H]1C 2356614938 OHSXDYRPKNCDOL-KCQAQPDRSA-N 238.371 3.057 30 1 BGEF C=C(C)[C@@H]1CCC(C)=C1COC(=O)CC 281436 CEODGTBJXQTGMY-NSHDSACASA-N 208.301 3.242 30 1 BGEF CC(C)(C)C#Cc1cccc(Cc2c[nH]cn2)c1 14979051 KZWRVJZTROHTQZ-UHFFFAOYSA-N 238.334 3.398 30 1 BGEF N#Cc1cc(-c2cnc3ccccn23)ccc1F 299866480 VWKBUWXPPGIUIV-UHFFFAOYSA-N 237.237 3.012 30 1 BGEF C=C(C)[C@@H]1CC[C@H]2OC(=O)C(=C(C)C)C[C@@H]21 2356396425 KPBVZIKVRNUVCQ-CYZMBNFOSA-N 220.312 3.241 30 1 BGEF C=C[C@@H]1CCC(=C)[C@H]2CCC(C(=O)OC)=C[C@H]12 2356478541 HYMOLJMMZNNOBO-MRVWCRGKSA-N 232.323 3.264 30 1 BGEF CC[C@H](C)/N=C(\C)C1=C(O)CC(C)(C)CC1=O 4638334 PRDYWCJLZACELT-JLBUCRLOSA-N 237.343 3.447 30 1 BGEF N#C[C@@H]1CCc2cc(-c3cccnc3)ccc2C1 40860901 RNYRVOLWCLUVFC-GFCCVEGCSA-N 234.302 3.377 30 1 BGEF CC1=CCC(C)(C)[C@@H]2CC[C@@](C)(O)C2=CC1=O 49525735 DALCJJKJCXNGKA-IAQYHMDHSA-N 234.339 3.019 30 1 BGEF C=CCn1cc(CC[N+](C)(C)C)c2ccccc21 84724334 NSDHYELSDRUBMZ-UHFFFAOYSA-N 243.374 3.076 30 1 BGEF CC(C)=CC[C@]1(C)SC(O)=C(C)C1=O 101029731 GRNOSLWBWNDQDA-NSHDSACASA-N 212.314 3.207 30 1 BGEF C=C(C)[C@@H]1CC[C@@H]2OC(=O)C(=C(C)C)C[C@H]21 238786764 KPBVZIKVRNUVCQ-DRZSPHRISA-N 220.312 3.241 30 1 BGEF CC1(C)[C@H]2CC[C@]1(C)C(=O)/C2=C/[C@@H]1CCCCN1 40488545 GYNPPAAQUQBHIM-UOYHUYMXSA-N 247.382 3.080 30 1 BGEF C#C[C@H]1CCc2nc3cccc4c3c(c2C1)CC4 587214500 AYYPAIWANLHULQ-NSHDSACASA-N 233.314 3.072 30 1 BGEF C[C@H]1C[C@@H]1c1[nH]c2cccc([N+](=O)[O-])c2c1C#N 587647150 RVIKHXBXECHHNI-YUMQZZPRSA-N 241.250 3.071 30 1 BGEF CCCCCCCCC[C@H](OC(C)=O)[C@H](C)N 2356574826 OKTFCWHLWHAORS-JSGCOSHPSA-N 243.391 3.406 30 1 BGEF C=C[C@@](C)(O)CCC=C1CO[C@@H](C=C(C)C)C1 2356746903 YKZPUSGDQAOOKT-LSDHHAIUSA-N 236.355 3.385 30 1 BGEF C=C1/C=C/[C@H](C(C)C)CC(=O)[C@]2(CCC1)CO2 15160674 VFPNKQAHPADWNP-XQCKBBLNSA-N 234.339 3.283 30 1 BGEF CC(=O)N(O)[C@H](C)c1ccc2ccccc2c1 27555976 JLSBQICBTCDVGP-SNVBAGLBSA-N 229.279 3.139 30 1 BGEF C=C(C)[C@@H]1CC=C(CCOC(C)=O)CC1 29042711 FGVBYIFVNDDCNG-CYBMUJFWSA-N 208.301 3.242 30 1 BGEF CCCCCCCC[C@H]1SC(=O)NC1=O 43153030 ZCRBNUCQSVGDLG-SECBINFHSA-N 229.345 3.089 30 1 BGEF C=C(C)[C@H]1CC[C@]2(C)CC(=O)C=C(C)[C@@]2(O)C1 14452358 WDFLKCAWQQMJCA-CFVMTHIKSA-N 234.339 3.019 30 1 BGEF endogenous,in-man C=C(CCC=C(C)C)[C@H]1CC(=O)[C@H](C)[C@H]1CO 33819283 GHVNGXHCQAFVBL-MGPQQGTHSA-N 236.355 3.123 30 1 BGEF C=C(C)[C@@H]1CC[C@]2(C)C[C@@H](O)C(=O)C(C)=C2C1 2356484131 JQVYRXJDFBMIFN-UXIGCNINSA-N 234.339 3.019 30 1 BGEF C=C(C)[C@@H]1CC[C@]2(CO)C=CC(=O)[C@@H](C)[C@]2(C)C1 2356805327 ZSFJQJFUDFUTDS-LUYZLQTOSA-N 248.366 3.123 30 1 BGEF C=C(C)[C@H](O)CC[C@@](C)(N)[C@H]1CC=C(C)CC1 14418021 TXILJXXOQXLMOA-RRFJBIMHSA-N 237.387 3.167 30 1 BGEF biogenic C[C@@H]1CCC[C@H]2CC(=O)C(C(C)(C)O)=C[C@]21C 14450824 LYFRYUAWUBLCKH-ZETOZRRWSA-N 236.355 3.099 30 1 BGEF endogenous,in-man C=C[C@@](C)(O)CC/C=C(\C)C(=O)c1cc(C)co1 14828470 MMJJWZIDBAJCJK-CUXKMMBLSA-N 248.322 3.434 30 1 BGEF CCCCCCC[C@@](N)(C(=O)O)c1ccccc1 43552576 OANXCGVBLKXTCH-HNNXBMFYSA-N 249.354 3.286 30 1 BGEF C=C1O[C@@H]2CC(=C)[C@@H]3CC[C@](C)(O)[C@@H]3C[C@@H]2C1=C 2356374949 KWWMYEJFOYMMQP-GCSSGZNBSA-N 246.350 3.199 30 1 BGEF CC1(C)CCC[C@]1(C)C1=C[C@@](C)(O)C=CC1=O 14454628 IAHVMQAYDBMMQB-LSDHHAIUSA-N 234.339 3.019 30 1 BGEF biogenic CCC1=C([C@H](C)CC)[C@@H](O)[C@@](C)(CC)C1=O 2356323115 IIWDJOXUWUASCX-FZQKWOKYSA-N 224.344 3.099 30 1 BGEF C=C[C@H](CC=CCC=CCC)OC(C)=O 2356664062 GIYINLRNLNHSBA-CYBMUJFWSA-N 208.301 3.407 30 1 BGEF C=C1CCC[C@]2(C)CC[C@](O)(C(C)(C)O)C[C@@H]12 2356686271 YTDHRNHFSMXJLO-NWANDNLSSA-N 238.371 3.035 30 1 BGEF C=C1C(=O)O[C@H]2C[C@]3(C)CCCC(=C)[C@@H]3C[C@H]12 1607783 CVUANYCQTOGILD-OSFYFWSMSA-N 232.323 3.241 30 1 BGEF biogenic,in-vitro C=C1COC(=O)[C@]12C[C@H]1CCC[C@H](C)[C@@]1(C)C2 5492605 OVXAYHNZXBOVPV-BTQDYEIMSA-N 234.339 3.322 30 1 BGEF C=C(CCCC(C)(C)O)[C@H]1CC=C(C)C(=O)C1 13377646 YQKVIOSIUPBAFL-ZDUSSCGKSA-N 236.355 3.409 30 1 BGEF biogenic C=C1CC[C@H](O)C(C)(C)[C@@H]1CC/C(C)=C/CO 13415433 CPESJRIILXBEOJ-CACDNMLQSA-N 238.371 3.059 30 1 BGEF CC1=C(O)[C@](C)(Cc2ccc(C)cc2)SC1=O 13553928 RGYUMIUCPQIDNE-AWEZNQCLSA-N 248.347 3.402 30 1 BGEF C/C=C/C#CC#C/C=C/C=C\CCCC=O 204978174 CWBXCZXHOHBSLY-MRKYAXMKSA-N 212.292 3.051 30 1 BGEF CC(=O)/C=C/C1CCN(Cc2ccccc2)CC1 1857583591 PLBMCVAIYDBKIQ-BQYQJAHWSA-N 243.350 3.044 30 1 BGEF CC(=O)[C@H]1CC[C@H]2[C@@H](CCC3=CC(=O)CC[C@H]32)C1 17285105 FZBFFQIUPYHEAP-GVAFMPQTSA-N 246.350 3.307 30 1 BGEF COc1ccc(/C=N/OCc2ccccc2)cc1 60386536 NXHMBXMTTJZQKU-LFIBNONCSA-N 241.290 3.246 30 1 BGEF C=C1CC[C@H]2[C@H](C)C(=O)O[C@@H]2[C@H]2C(C)=CC[C@@H]12 5529670 GAXXKXAIPLVKGB-PEDHHIEDSA-N 232.323 3.097 30 1 BGEF C=C(C)[C@H](O)CCC(=C)[C@@H]1CC=C(C)C(=O)C1 14444426 SXAYUEJYPDHZBO-ZIAGYGMSSA-N 234.339 3.185 30 1 BGEF biogenic Fc1cccnc1C#Cc1ccc2ccccc2n1 95587802 PALTYPNAHSELRJ-UHFFFAOYSA-N 248.260 3.169 30 1 BGEF C/C1=C\CC/C(C(=O)O)=C/CC(C)(C)/C=C/C1=O 238761573 BPPXABXKJZPLPR-XQNCZXEHSA-N 248.322 3.279 30 1 BGEF C/C=C/C(=O)c1coc2cc([N+](=O)[O-])ccc12 587279371 HJRLZCZXJHCKJJ-NSCUHMNNSA-N 231.207 3.100 30 1 BGEF COc1ccc(Cl)cc1C#Cc1cncs1 587920586 IHTRDFRTOJFBGK-UHFFFAOYSA-N 249.722 3.205 30 1 BGEF C=CCCCC=CC=CCC#CC#C[C@H](O)C=C 2356683591 ADKVNLJOJPLERM-QGZVFWFLSA-N 240.346 3.399 30 1 BGEF C=C[C@H](c1ccccc1)c1ccc(O)cc1O 14652321 UNABYKBYLJJXQE-CYBMUJFWSA-N 226.275 3.416 30 1 BGEF biogenic C=C1C[C@@H](c2cccc3ccccc23)OC1=O 40424590 OKQCKEQAGLSRAF-AWEZNQCLSA-N 224.259 3.384 30 1 BGEF CC1(C)[C@@H]2C[C@H]1C(/C=C/c1ccccn1)=CC2=O 96931808 VVDRJSCTFNMXOQ-HYLRALAJSA-N 239.318 3.266 30 1 BGEF CC1(C)CC(=O)C(/C=N/Cc2ccco2)=C(O)C1 260231 CWTDIHSGDQLKKW-OQLLNIDSSA-N 247.294 3.052 30 1 BGEF CC(=O)C=CC1=C(C)C(=O)C[C@H](C)C1(C)C 2356535816 KEIPKMLOEISKCN-VIFPVBQESA-N 220.312 3.083 30 1 BGEF C#CC#CC[C@@H]1O[C@H]1CCCCCCC 85722173 CRSUKNCTBDUAQP-KBPBESRZSA-N 204.313 3.141 30 1 BGEF endogenous,in-man C/C=C\C#CC#C/C=C\C=C/CCCCCO 217827879 YAJHFXRUFPTBLG-JGFRUSCUSA-N 228.335 3.234 30 1 BGEF CC1(C)C=CC[C@]2(C)O[C@@H]2CC[C@]2(C)O[C@@H]2C1 2356415730 UFBUQKAQYQDEOE-UXOAXIEHSA-N 236.355 3.458 30 1 BGEF C#C[C@@H](CN)c1ccc(Oc2ccccc2)cc1 28654176 GIFOOVBSEIDETG-ZDUSSCGKSA-N 237.302 3.154 30 1 BGEF COC1=CC(C)(C)c2cc(OC)c(C)cc2C1=O 1772605433 FBKPCZYPWBOPTN-UHFFFAOYSA-N 246.306 3.008 30 1 BGEF CC(NC1CCCCC1)=C1C(=O)C[C@@H]2[C@@H]1C2(C)C 2356599292 SQBCITVJQZPSFB-DOMZBBRYSA-N 247.382 3.428 30 1 BGEF CCC1=C2CC[C@]3(C)[C@@H](O)CC[C@@H]3[C@@H]2CCC1=O 29475491 DOTDLCMVUVGSDP-VDERGJSUSA-N 248.366 3.243 30 1 BGEF C=C[C@](C)(O)CC/C=C(\C)C/C=C/C(C)(C)O 33951528 WPGYCMWKXXCJMW-RJBDBGFQSA-N 238.371 3.367 30 1 BGEF CSCC(C)(C)c1nc2ccc(C#N)cc2[nH]1 586969450 SALKDMLXVFULTM-UHFFFAOYSA-N 245.351 3.075 30 1 BGEF C[C@@H](CC#N)n1nc2cc1Oc1ccc(F)cc1-2 587875986 XCZIRSDVGAQZFR-QMMMGPOBSA-N 243.241 3.270 30 1 BGEF C/C1=C/CC[C@@]2(C)O[C@@H]2CC(C)(C)/C=C/C1=O 14441748 UXYYOHOTPOQJPD-JSNAJDLHSA-N 234.339 3.426 30 1 BGEF endogenous,in-man O=C(/C=C/c1ccccc1O)c1cc(Cl)c[nH]1 64549552 CRMDURKFMFKLJD-AATRIKPKSA-N 247.681 3.270 30 1 BGEF C[C@@H]1C[C@@H](C)[C@H](C#N)N(C)c2ccccc21 5550893 LBEAHYPHXKKJKU-GYSYKLTISA-N 214.312 3.158 30 1 BGEF C=C(C)[C@@H](O)CC[C@]1(C)C2C[C@H]3[C@@H](C2)C31C 33831752 JWTCIAANPDAOIC-CZFYFISASA-N 220.356 3.386 30 1 BGEF biogenic,in-vitro CCCCCCCCNn1nnc2ccccc21 1857550136 DVHHRZCSNYWWFV-UHFFFAOYSA-N 246.358 3.335 30 1 BGEF Cc1coc2c1C1=CC(=O)CC[C@@H]1[C@@H](C)C2 14723403 QXNNHHMTTGDESS-GZMMTYOYSA-N 216.280 3.143 30 1 BGEF biogenic C=CCCC[C@H](O)C=CC=CC#CC#CC=CC 2356484988 OLWYWTSKMZVTTL-KRWDZBQOSA-N 240.346 3.399 30 1 BGEF C=CCCC[C@@H](O)C=CC=CC#CC#CC=CC 2356484989 OLWYWTSKMZVTTL-QGZVFWFLSA-N 240.346 3.399 30 1 BGEF C=C1C(=O)O[C@@H]2C[C@]3(C)C=CCC(=C)[C@H]3C[C@@H]12 15208048 OQDHMEJCDXFMHC-JLNYLFASSA-N 230.307 3.017 30 1 BGEF biogenic N#Cc1cccc(-c2ccc3cccnc3n2)c1 28826014 ANJYTIPEHJCPPM-UHFFFAOYSA-N 231.258 3.168 30 1 BGEF in-vivo C=C(C)c1cc2c(o1)C(=O)c1ccccc1C2=O 32296719 JIXOWAXGILXNLY-UHFFFAOYSA-N 238.242 3.088 30 1 BGEF biogenic,in-vitro C=C(C)C(=O)O[C@H]1C[C@@H]2CC[C@]1(C)C2(C)C 100027983 IAXXETNIOYFMLW-MJVIPROJSA-N 222.328 3.321 30 1 BGEF CC1=CC[C@@H]([C@@]2(C)OC(C)(C)C=CC2=O)CC1 166789475 WIMVWRJFIQGEJA-IUODEOHRSA-N 234.339 3.426 30 1 BGEF C/C=C\C#CCC/C=C/C=C/C(=O)NCC(C)C 199769531 NFFPFDVUIWBNTI-YSQYCKBNSA-N 245.366 3.231 30 1 BGEF CC1=C[C@@H]2c3c(C)coc3C[C@@H](C)[C@@H]2CC1=O 2356391792 DFIGYGDRFSICLF-ZHAHWJHGSA-N 230.307 3.399 30 1 BGEF O=C1C=CC(=C2Nc3ccccc3S2)C=C1 100434849 QMAPKNYHUUASAY-UHFFFAOYSA-N 227.288 3.111 30 3 BGEF C=C[C@]1(C)CC[C@H]([C@](C)(O)CC=CC(=C)C)O1 2356638770 PUIJLDUDGLGOIA-RBSFLKMASA-N 236.355 3.384 30 1 BGEF C=C1CC[C@@H]2C[C@@H]3[C@H]1CC[C@@]31C[C@@]21CC(=O)O 197161981 XODFJJSIJDSDCR-OGMFBOKVSA-N 232.323 3.234 30 1 BGEF CC(C)[C@]12CC[C@H](C)[C@]34CC[C@H](C)[C@]3(O4)[C@@H]1O2 2356803255 WWJMBUFCDNYHOS-TVDPOAAXSA-N 236.355 3.148 30 1 BGEF C#CC(=O)Oc1ccc(CCCCCC)cc1 14969055 IAEVDNHEIHTNJR-UHFFFAOYSA-N 230.307 3.348 30 1 BGEF in-vivo CC1=CCC(C)(C)C=CC[C@]2(C)O[C@@H]2[C@H](O)C1 2356432814 NLKDRIXWXCDONI-NFAWXSAZSA-N 236.355 3.217 30 1 BGEF N#Cc1ccc(/C=C/c2ccncc2)cc1 1506511 SUCOKTGSBOUQAZ-OWOJBTEDSA-N 206.248 3.124 30 1 BGEF C=C(C)[C@H]1CC[C@]2(C)CC(=O)C=C(C)[C@]23O[C@H]13 34117496 GIOCZBPNJOEKCR-KBUPBQIOSA-N 232.323 3.036 30 1 BGEF C=C1CC[C@H]2[C@H]3[C@@H](C(C)(C)O)CC[C@]2(C)[C@H]13 104372994 FVPQQGXKOCOMAU-WHPHWUKISA-N 220.356 3.386 30 1 BGEF in-man C=C(C)[C@@H]1CCc2ccc(OC)c3c2[C@H]1OC3=O 238752676 ZWXLATVUKXJMGZ-HZMBPMFUSA-N 244.290 3.045 30 1 BGEF C=C1CC[C@H](C(C)(C)O)C=C[C@@H](C)CCC1=O 253668639 RJCCYTWCDOEWGM-DGCLKSJQSA-N 236.355 3.265 30 1 BGEF C=C(C)[C@H]1CC(=O)C2=CC(=O)C[C@@H](C)[C@]2(C)C1 15200822 CEDQTRQWBOXWOT-ZETOZRRWSA-N 232.323 3.083 30 1 BGEF endogenous,in-man Cc1c([C@H](C)C#N)[nH]c2cccc(F)c12 587635583 NUHGYPWBVYEPNA-SSDOTTSWSA-N 202.232 3.243 30 1 BGEF CC1(C)CCCc2c1ccc1c2C(=O)C(=O)C=C1 13821938 NUJIKIJQCXNJFW-UHFFFAOYSA-N 240.302 3.079 30 1 BGEF N#Cc1ccc2c(c1)C=Nc1ccccc1C2 64539971 UWPBMRVJDVATFV-UHFFFAOYSA-N 218.259 3.213 30 1 BGEF Cc1cc(-c2[nH]c3cc(F)ccc3c2C#N)no1 587636950 QOVQBZCZHYSXEC-UHFFFAOYSA-N 241.225 3.142 30 1 BGEF CC#Cc1nc2cc(Cl)cc(Cl)c2[nH]1 587953530 NBHISNIWBALRGN-UHFFFAOYSA-N 225.078 3.241 30 1 BGEF C=C(C=C[C@@H](CC[C@@H](C)O)C(C)C)CCCO 2356466497 ILTLDBNFZKICNW-CABCVRRESA-N 240.387 3.305 30 1 BGEF CC[C@@H](C)/N=C\Nc1ccc(-c2c[nH]cn2)cc1 13822059 SKJJLZMUIPRNCX-LLVKDONJSA-N 242.326 3.315 30 1 BGEF C=CC(C)(C)c1nc2cc(F)c(F)cc2[nH]1 587954139 FIKGCEOHBFLHPA-UHFFFAOYSA-N 222.238 3.305 30 1 BGEF C=C1[C@H]2C[C@@H](O)C[C@@]23CC[C@@H](C3)C1(C)C 2356504956 LRKPKMYNYQJRMD-SFTQSGBHSA-N 206.329 3.140 30 1 BGEF CC1=CCC[C@]2(C)O[C@@H]2CC(C)(C)C=C[C@@H]1O 2356788397 WYTCGROMPOXACM-GUTXKFCHSA-N 236.355 3.217 30 1 BGEF CC(=O)[C@@H]1CC[C@@H]2[C@@H](CCC3=CC(=O)CC[C@H]32)C1 17285096 FZBFFQIUPYHEAP-NOXHYTERSA-N 246.350 3.307 30 3 BGEF CC1=C2c3ccc(O)cc3C[C@]2(C)CCC1=O 34050132 GGVJORATKHOAJL-HNNXBMFYSA-N 228.291 3.091 30 1 BGEF C[C@@H]1CC(=O)C=C2CC[C@@H]([C@@]3(C)CO3)C[C@]21C 34566997 JUWSZKSYEBPKOW-WAZAZEMKSA-N 234.339 3.117 30 1 BGEF N#Cc1ccc2c(c1)/C(=C\c1cnc[nH]1)CCC2 39200621 QCSHDBFRWJERMU-QPEQYQDCSA-N 235.290 3.158 30 1 BGEF CC1(C)/C=C\C[C@]2(C)O[C@@H]2CC[C@@]2(C)O[C@@H]2C1 104381376 UFBUQKAQYQDEOE-OPIQNETCSA-N 236.355 3.458 30 1 BGEF endogenous,in-man CC1=C2CC[C@@]3(C)[C@@H](O)[C@H](C)C[C@@H]3[C@H]2CCC1=O 253701995 MQUWOZCDCNPFTM-MPTQENLXSA-N 248.366 3.099 30 1 BGEF C=CC(C)(C)c1nc2ccc(F)c(F)c2[nH]1 587954406 STROZMRSDARSJT-UHFFFAOYSA-N 222.238 3.305 30 1 BGEF O=C(/C=C/c1cccc(Cl)c1)C(F)(F)F 26378107 YVZJCTONRBSCOG-SNAWJCMRSA-N 234.604 3.485 30 1 BGEF CC1=CC(=O)c2c([nH]c3ccc(Cl)cc23)C1=O 34375552 SWQOPGCACUSRFR-UHFFFAOYSA-N 245.665 3.147 30 1 BGEF Cc1c([C@@H](C)C#N)[nH]c2cccc(F)c12 587635585 NUHGYPWBVYEPNA-ZETCQYMHSA-N 202.232 3.243 30 1 BGEF C=CCC(C)(C)c1nc2ccc([N+](=O)[O-])cc2[nH]1 587954498 XRHNVCZESFRQMF-UHFFFAOYSA-N 245.282 3.325 30 1 BGEF C=C1[C@@H](C)C[C@H]2C(=C)CC[C@@H]3C(=C)C(=O)O[C@H]3[C@H]12 2356682966 BTSWHLURRDXRKW-KGKICYMHSA-N 244.334 3.263 30 1 BGEF C#C[C@H](Cc1ccc(O)cc1)c1ccc(O)cc1 13470343 MXIFCKWMUUNDJR-CYBMUJFWSA-N 238.286 3.057 30 1 BGEF C=C[C@]1(C)CCC2=C(C)C(=O)O[C@@H]2[C@H]1C(=C)C 15150138 GXRBKDQCWNWEHB-VNHYZAJKSA-N 232.323 3.407 30 1 BGEF biogenic C=CCc1cccc(OCCC)c1OC 103282828 WGEROAXEZNFHQG-UHFFFAOYSA-N 206.285 3.213 30 1 BGEF C=CCCCC/C=C\C=C\C#CC#C/C=C\CO 205431950 VNZGFKQARLEAQK-ULRKRDCQSA-N 240.346 3.401 30 1 BGEF CC1(C)C[C@H]2[C@@H]1CC[C@@]1(C)O[C@@H]1CC[C@@]2(C)O 13298585 KGYCKUADVHYVLM-CWFCOSEVSA-N 238.371 3.131 30 1 BGEF C[C@@H]1Cc2cc(Cl)ccc2N2CCC(=O)C=C12 13813830 DIDYGJJHMJNMJM-SECBINFHSA-N 247.725 3.195 30 1 BGEF Cc1cccc(N/C=C2\C=CC=CC2=O)c1C 104002056 SOWPRBRRFCDDJM-JLHYYAGUSA-N 225.291 3.294 30 3 BGEF COc1ccc(Cl)cc1C#Cc1cscn1 587921341 ZXWBXZCUBXHTIX-UHFFFAOYSA-N 249.722 3.205 30 1 BGEF C=C[C@@H]1C[C@H](C)C[C@@H](C)[C@@H]1c1c(O)ccnc1O 2356456152 SWIJWROLKBJDFO-UZWSLXQKSA-N 247.338 3.445 30 1 BGEF CCCCCCCCC[C@H](OC(C)=O)[C@@H](C)N 44181555 OKTFCWHLWHAORS-OCCSQVGLSA-N 243.391 3.406 30 1 BGEF CC(C)=CC[C@@]1(C)SC(=O)C(C)=C1O 102149847 DCMADVSYGRYPPB-LLVKDONJSA-N 212.314 3.207 30 1 BGEF C#CCCCCN1C=CN(C(C)(C)C)/C1=C/N=O 197049219 PPLOTTZPXVXAEU-OUKQBFOZSA-N 247.342 3.243 30 1 BGEF C/C=C/C#CC#CC/C=C\CCCCOC(C)=O 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3.163 30 1 BGEF CCCCCCCCCC=C[C@@H](O)[C@H](C)N 2356853592 RHSGKBXFWFDFGN-UONOGXRCSA-N 227.392 3.391 30 1 BGEF Oc1cccc2nc(C#Cc3ccccc3)ccc12 95590115 MEFJTBFNOZJLFY-UHFFFAOYSA-N 245.281 3.340 30 1 BGEF C=C1CCC[C@@]2(C)CC[C@H]3[C@H](OC(=O)[C@@H]3C)[C@H]12 238757337 VVFHGZOZXJXSNR-BIGJJFBESA-N 234.339 3.321 30 1 BGEF N#Cc1c(C2CCC2)[nH]c2cccc(F)c12 587635689 OQWLIINRPNIZDS-UHFFFAOYSA-N 214.243 3.446 30 1 BGEF CC1=C[C@H]2O[C@@H]3CC[C@@](C)([C@]34CO4)[C@@]2(C)CC1 5767442 LZAJKCZTKKKZNT-QMIVOQANSA-N 234.339 3.069 30 1 BGEF in-vitro Cc1cccc(C(=O)/C=C/c2ccncc2)c1 13602137 WTOHVFLLUGNGKD-AATRIKPKSA-N 223.275 3.286 30 1 BGEF C=C[C@@]12N[C@@H](Cc3ccccc31)c1ccccc12 27888290 SNKVNNXKZIUUHR-DLBZAZTESA-N 233.314 3.317 30 1 BGEF OCC#Cc1c(-c2ccccc2)oc2ccccc12 66260254 PSCMDBHHPQWXQJ-UHFFFAOYSA-N 248.281 3.444 30 1 BGEF C=C(C)[C@H]1CC[C@]2(C1)[C@H]1CO[C@@]2(C)CC(=O)C1 104371916 YHIWYGHFGRMQMO-NEBZKDRISA-N 234.339 3.117 30 1 BGEF endogenous,in-man C=C1C(C(=O)O)=C[C@]2(C)CC[C@H]3[C@H](C)CC[C@]132 238753928 UVFNMUDXUUEMMB-JYBASQMISA-N 232.323 3.400 30 1 BGEF C#CCN1CCC(/C=C\c2cccc(F)c2)CC1 1857551242 NWGHDZJPSJYPKW-SREVYHEPSA-N 243.325 3.184 30 1 BGEF C=C(C(=O)O)[C@@H]1CC[C@]2(C)CCC(C(C)=O)=C2C1 14619662 ZFAOSFXFIKLLJT-IAQYHMDHSA-N 248.322 3.113 30 1 BGEF biogenic C[C@]12CCCCC1=CC=C1C(=O)C=CC=C12 2356418915 AHCCSFZXRLQQHD-HNNXBMFYSA-N 212.292 3.498 30 1 BGEF C=C1CCC(=O)[C@]2(C)CC[C@H](C(C)C)C[C@]12O 2356688563 FBFPIPZUUNYSEA-QEJZJMRPSA-N 236.355 3.099 30 1 BGEF CC1=C2C(=O)[C@H](C(C)C)CC[C@@]2(C)[C@H](O)CC1 85641772 SZNXJUGSSOHWJM-ZOWXZIJZSA-N 236.355 3.099 30 1 BGEF endogenous,in-man C=CCN1CC[C@]2(C)c3ccccc3C[C@@H]1[C@@H]2C 100666874 DCDPEUIZVWTSCT-XKQJLSEDSA-N 241.378 3.397 30 1 BGEF N#C[C@H](Cc1cccnc1)c1c[nH]c2ccccc12 145032118 RFTOGIFGAIFBAM-ZDUSSCGKSA-N 247.301 3.413 30 1 BGEF C=CCC(C)(C)c1nc2cccc(O)c2[nH]1 587954257 LJHGWNUJHXCSDZ-UHFFFAOYSA-N 216.284 3.122 30 1 BGEF CC1=CCC[C@]2(C)O[C@@H]2[C@@H](O)[C@@H](C(C)C)CC1 2356763470 KLQPHHIQARFSDE-BARDWOONSA-N 238.371 3.297 30 1 BGEF CC1=C[C@]23OC(C)(C)[C@@H]2CC[C@@H](C)C3=CC1=O 2356802081 RVWCZVFWAKZZHV-ZDBHGNHJSA-N 232.323 3.036 30 1 BGEF C/N=C/c1cc(-c2ccccc2)sc1O 13739688 GIFJKAJGJFTCLX-MDWZMJQESA-N 217.293 3.169 30 1 BGEF C=CCc1c(OC)cccc1OCCC 98085618 ZOOWLXVWEALWNU-UHFFFAOYSA-N 206.285 3.213 30 1 BGEF C=C(CCC=C(C)CO)[C@@H]1CC[C@](C)(O)[C@H]1C 2356557934 HGGIETPLSCSCRB-KKUMJFAQSA-N 238.371 3.059 30 1 BGEF CC(C)=C1C(=O)CC[C@H](C)[C@H]2C[C@@H](O)C(C)=C12 2356404955 BZTZLJRCICGEAO-UFGOTCBOSA-N 234.339 3.019 30 1 BGEF CC1=CC[C@]23O[C@]2(CC(C)=CCC1)OC(=O)[C@H]3C 2356425849 LFCPWXRIGILHCC-YUELXQCFSA-N 248.322 3.111 30 1 BGEF C=C[C@](C)(O)C[C@@H]1C=C(C)[C@H](CC=C(C)C)O1 2356563122 QNHVMLXVTOJGNW-KKUMJFAQSA-N 236.355 3.384 30 1 BGEF CC1=CC(=O)C[C@]2(C)CC[C@@H](C(C)(C)O)C=C12 14452372 BCAFBFZQLANMLN-ABAIWWIYSA-N 234.339 3.019 30 1 BGEF biogenic CN/C(=N\c1ccc(F)cc1)SC(C)C 28343052 KIZIWMUPMIWYRQ-UHFFFAOYSA-N 226.320 3.174 30 1 BGEF C/C=C/C1=CC(=O)[C@](C)(/C=C/C=C/CC)O1 40421088 YSVQGKYAKQHXOG-AWGNNXNXSA-N 218.296 3.327 30 1 BGEF C=CCC(C)(C)c1nc2cc(Cl)ncc2[nH]1 587954096 CEJGWYCSHGLUEI-UHFFFAOYSA-N 235.718 3.465 30 1 BGEF C=C(C)[C@@H]1CCC(=O)[C@]23CC[C@@H](C)[C@@]2(CC1)O3 2356513142 UHZUQJMIYUEZGO-QHSBEEBCSA-N 234.339 3.260 30 1 BGEF Cc1ccc2c(c1)O[C@]1(C=O)[C@@H](C)CC[C@@]21C 2356795204 IKVPMCNNGICLRF-TUKIKUTGSA-N 230.307 3.013 30 1 BGEF C=C[C@]1(C)C[C@H]2OC(=O)C(=C)[C@H]2C[C@H]1C(=C)C 15150155 IFASGTOWHLMHEZ-QVHKTLOISA-N 232.323 3.263 30 1 BGEF biogenic C=C1CC=C[C@@]2(C)C=C3OC(=O)C(C)=C3C[C@@H]12 15208035 NRBVPMLNGGQOLX-WFASDCNBSA-N 228.291 3.286 30 1 BGEF biogenic CC1=C2C=C(C(C)(C)O)CC[C@@H](C)[C@H]2CC1=O 15264598 GPHOOPDBTHHJLD-BXKDBHETSA-N 234.339 3.019 30 1 BGEF biogenic COc1ccc(Cl)cc1C#CC1=CCOCC1 587912330 FIDVOXLFORWKIC-UHFFFAOYSA-N 248.709 3.047 30 1 BGEF C=C1[C@@H]2CCC(C)=CCCC(C)=C[C@@H]2O[C@H]1O 2356584229 XOQBPGQAAARDLU-SOUVJXGZSA-N 234.339 3.343 30 1 BGEF O=C1CCCC/C1=C\c1ccccc1[N+](=O)[O-] 968504 MDRNBUVIUKNKMS-PKNBQFBNSA-N 231.251 3.121 30 1 BGEF C=CCN1CCc2ccsc2[C@H]1C(C)C 28246089 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AITZTJGBRHUSDK-MFKMUULPSA-N 222.328 3.307 30 1 BGEF biogenic C=C1C(=O)O[C@@H]2[C@H]1CC[C@@]1(C)CCC=C(C)[C@H]21 15207262 UHODXTMZSDNATP-KYEXWDHISA-N 232.323 3.241 30 1 BGEF C=C[C@@](C)(O)C/C=C/[C@@](C)(O)CCC=C(C)C 15213432 TZTZMOXGXUZNPW-QQAGXBGCSA-N 238.371 3.367 30 1 BGEF O=C(O)[C@@H](CCCCS)Cc1ccccc1 27656247 XHGXYIIPGXQIEE-LBPRGKRZSA-N 238.352 3.030 30 1 BGEF C=C1[C@@H]2C[C@@H](C[C@H]2CO)[C@]1(C)C1CCCC1 85546684 VAAGZYITNDTUND-ATGSNQNLSA-N 220.356 3.387 30 1 BGEF biogenic,in-vitro Cc1ccc(-c2nc3cncc(C)c3[nH]2)cc1C#N 587187124 BESUHOOQQHNICU-UHFFFAOYSA-N 248.289 3.113 30 1 BGEF Cc1c([C@@H](C)C#N)[nH]c2cc([N+](=O)[O-])ccc12 587647509 ZUZLVLZJHXXSNM-ZETCQYMHSA-N 229.239 3.012 30 1 BGEF N#Cc1ccc2nc(C=C3CCC3)[nH]c2c1 587965175 PAFBRWJRPKRFTO-UHFFFAOYSA-N 209.252 3.002 30 1 BGEF C(=N\Nc1nc2ccccc2[nH]1)\c1ccccc1 31904392 OEVCAFXADCPZLF-GDNBJRDFSA-N 236.278 3.009 30 1 BGEF C=C1[C@H]2CC[C@](C=O)([C@H]2OC)[C@]1(C)C1CCCC1 85546646 YOFAYOYDXJVGLP-UGUYLWEFSA-N 248.366 3.363 30 1 BGEF biogenic,in-vitro Cc1ccc(-c2nc3ccc(O)cc3[nH]2)cc1C#N 587188070 NOJJOXWUWHTYDP-UHFFFAOYSA-N 249.273 3.116 30 1 BGEF C/C1=C/CC/C(C)=C/CC2=C(C1)C(=O)C=CC2=O 43079585 IYBUBJTWRYPRSI-CRLRQKJVSA-N 242.318 3.458 30 1 BGEF C=C1CCC[C@]2(C)CC[C@@](O)(C(C)(C)O)C[C@@H]12 238781986 YTDHRNHFSMXJLO-CFVMTHIKSA-N 238.371 3.035 30 1 BGEF C=C1CC[C@H]2C[C@H]3[C@@H]1CC[C@]31C[C@]21CC(=O)OC 2356444223 OVHHBPJWMKEJNA-KUCCMMOJSA-N 246.350 3.322 30 1 BGEF C=C(C)[C@]1(O)CC[C@]2(C)CC(=O)C=C(C)[C@@H]2C1 14452366 SAJFRLDIWQUNCQ-ZNMIVQPWSA-N 234.339 3.019 30 1 BGEF biogenic C#CCC/C=C/C=C/CCC(=O)NCC(C)C 238747383 OIORJILAYQMMNY-XBLVEGMJSA-N 233.355 3.065 30 1 BGEF C[C@H]1C[C@@H]1C(=O)c1coc2cc(C#N)ccc12 587277858 GEQHENWGBSBNME-KWQFWETISA-N 225.247 3.143 30 1 BGEF C=C(C)[C@@H]1CCc2cccc3c2[C@@H]1OC3=O 14659783 HPRUINVTECPGHJ-GXFFZTMASA-N 214.264 3.037 30 1 BGEF biogenic C/C1=C\CC(C)(C)/C=C/C(=O)/C(C)=C/[C@@H](O)C1 100089093 NBVYFPSAUFQMAK-LAWYHAMBSA-N 234.339 3.185 30 1 BGEF biogenic,in-vitro C=C1CC[C@@H](C(C)C)/C=C/[C@@](C)(O)CC[C@@H]1O 40873959 NSIOXFVMCTYIOU-UVIYIIQCSA-N 238.371 3.057 30 1 BGEF biogenic,in-vitro N#Cc1c(C2CCOCC2)[nH]c2cc(F)ccc12 587635481 MEZPTSPCQKGRKG-UHFFFAOYSA-N 244.269 3.073 30 1 BGEF CC1=C/C(=C\N(C)c2ccccc2)C(=O)S1 100304408 OSPOLNHPFDNMAQ-PKNBQFBNSA-N 231.320 3.184 30 1 BGEF N#CCC(=O)c1cccc(C(=O)c2ccccc2)c1 14960877 PJRARCXCWZKMBP-UHFFFAOYSA-N 249.269 3.014 30 1 BGEF CCCCCCCc1cc(=O)c2cnccc2[nH]1 169308248 OKXOVGZDIGAJDW-UHFFFAOYSA-N 244.338 3.436 30 1 BGEF CC(=O)/C=C(\C)N=Nc1c(O)[nH]c2ccccc12 299813316 SGZNUUIZEVEUKK-OBNPEEKISA-N 243.266 3.450 30 1 BGEF CC(C=C[C@@H]1C(C)=CC(=O)CC1(C)C)=CC(=O)O 2356634368 FCRACOPGPMPSHN-CYBMUJFWSA-N 248.322 3.135 30 1 BGEF C=C1CC(C#N)(C#N)[C@H]2[C@H]3CCC[C@H]3C[C@@H]12 1636039 PCSIJLYEUQGZKL-CYDGBPFRSA-N 212.296 3.032 30 1 BGEF C=C(C)[C@H](O)CC[C@@H](C)[C@H]1CCC(C)=C[C@@H]1O 238767726 CDNZQVUVVDBNTE-TUVASFSCSA-N 238.371 3.057 30 1 BGEF CC1=C(O)[C@](C)(C2CCCCC2)SC1=O 13678457 UEFRJISCESZDKA-LBPRGKRZSA-N 226.341 3.431 30 1 BGEF C=C(C)[C@]1(O)CC[C@]2(C)CC(=O)C=C(C)[C@H]2C1 73200537 SAJFRLDIWQUNCQ-KFWWJZLASA-N 234.339 3.019 30 1 BGEF C/C1=C\CC(C)(C)/C=C/C[C@@]2(C=O)O[C@H]2CC1 158058183 VVWHSNOLOHXZLS-BMANGSSYSA-N 234.339 3.426 30 1 BGEF C=CCC(C)(C)c1nc2c(C)nccc2[nH]1 587954401 SOJFCVVDLKVEMJ-UHFFFAOYSA-N 215.300 3.120 30 1 BGEF Cc1ccc2c(c1)[C@@H](C)CC1=CC(=O)CCN12 13813840 JYYMPZBJCNUICS-NSHDSACASA-N 227.307 3.165 30 1 BGEF C=C1CC[C@H]2[C@@H]3[C@@H]1[C@]2(C)CC[C@H]3C(C)(C)O 104372997 FVPQQGXKOCOMAU-WPLOAARJSA-N 220.356 3.386 30 1 BGEF in-man O=C(C/C=N/c1ccccn1)c1ccccc1 169688332 UAARSDAZMLYEMX-LFIBNONCSA-N 224.263 3.057 30 1 BGEF C=CC(C)(C)c1nc2c(C)cnc(Cl)c2[nH]1 587954218 JAWOSTPWWQEEQC-UHFFFAOYSA-N 235.718 3.383 30 1 BGEF C=C[C@@](C)(O)CCC=C(C)[C@H](O)CC=C(C)C 2356519822 QNAJDMGVFWNPDH-HUUCEWRRSA-N 238.371 3.367 30 1 BGEF C=C1[C@H](O)O[C@@H]2C=C(C)CCC=C(C)CC[C@H]12 2356584227 XOQBPGQAAARDLU-RBSFLKMASA-N 234.339 3.343 30 1 BGEF CCCC1CCC2(CCC(=O)N2CCC#N)CC1 96019226 QHESMZDWZPGYJZ-UHFFFAOYSA-N 248.370 3.252 30 3 BGEF C=C1C(=O)O[C@H]2[C@H]1CC[C@]1(C)CCC=C(C)[C@H]21 3872790 UHODXTMZSDNATP-XFMPKHEZSA-N 232.323 3.241 30 1 BGEF C=C(C)[C@@H]1CC[C@@]2(C)C=CC(=O)C=C2C1 70455352 HCGLSNXCQRJVMY-RISCZKNCSA-N 202.297 3.434 30 1 BGEF biogenic,in-vitro Oc1[nH]c2ccccc2c1/C=N/Cc1ccco1 103542251 UXBNFUYGIKNCCH-OQLLNIDSSA-N 240.262 3.086 30 1 BGEF CC1(C)CCC[C@]1(C)C1=CC(=O)[C@@](C)(O)CC1 200463646 XRBCPARPBGDOTM-CABCVRRESA-N 236.355 3.243 30 1 BGEF C=C1CC[C@@H]2[C@H]([C@H]3[C@H]1CC[C@@]3(C)O)C2(C)C 33833776 FRMCCTDTYSRUBE-KMCWBVRRSA-N 220.356 3.386 30 1 BGEF biogenic C=C(C)[C@H]1CC[C@]2(C)[C@@H]3CC[C@@](C)(O)[C@@H]2[C@@H]13 100782072 DGXZNOOUXAHVAE-QAUDVVSPSA-N 220.356 3.386 30 1 BGEF endogenous,in-man C=CCc1cc(OCCC)ccc1OC 103287551 HRQYZNPNHWCOQG-UHFFFAOYSA-N 206.285 3.213 30 1 BGEF CCCCCCCCCC(=O)N1CCCC1=O 2010545 ZWIZLSQLKQJUQT-UHFFFAOYSA-N 239.359 3.276 30 1 BGEF CC1(C)CCC[C@@]2(C)CC[C@](C)(O)C[C@@H]3O[C@@]312 33829861 BSLAWKTUBVGEDH-MXAVVETBSA-N 238.371 3.275 30 1 BGEF biogenic,in-vitro CC(=O)/C=C/C1=C(C)[C@H]2CC[C@H](C)[C@H]2[C@H](C)O1 238734113 SRSZWWZBWAHJNN-RHJMNWHJSA-N 234.339 3.487 30 1 BGEF C=C1O[C@@H]2C[C@@]3(C)CCCC(=C)[C@@]3(O)C[C@@H]2C1=C 238775657 BRGBGTWCHCTWLY-FPCVCCKLSA-N 246.350 3.343 30 1 BGEF CCCCCCCCCC=C[C@@H](O)[C@@H](C)N 2356853593 RHSGKBXFWFDFGN-ZIAGYGMSSA-N 227.392 3.391 30 1 BGEF C=C(C)[C@H]1CC(=O)C(C)=C2CC(=O)C(C)=C2C1 15264805 UYMHDKPGFDYSRZ-LLVKDONJSA-N 230.307 3.147 30 1 BGEF biogenic C=C1O[C@@H]2[C@H](CC[C@]3(C)[C@H](O)CC=C(C)[C@@H]23)[C@@H]1C 2356737722 STIYXYABWPDGCS-YNHJSRRZSA-N 248.366 3.278 30 1 BGEF C(#CC1=CCCCC1)CNCc1ccccc1 203471597 CFNDGIYHNATALH-UHFFFAOYSA-N 225.335 3.280 30 3 BGEF C=C(CCC=C(C)C)[C@@H]1CC(=O)[C@@H](C)C[C@@H]1O 206666380 QCVXGVVLXAANDD-YDHLFZDLSA-N 236.355 3.265 30 1 BGEF CC1=C2C(=O)[C@H](C(C)C)CC[C@]2(C)CC[C@H]1O 2356421068 XWZCIIBBVRVHKN-YWPYICTPSA-N 236.355 3.099 30 1 BGEF Cc1ccc(N/C=C2\C=CC(=O)C=C2O)cc1F 104034916 JARDDUSICBDGQB-CSKARUKUSA-N 245.253 3.011 30 3 BGEF CC(C)=C1C[C@]2(C)[C@@H](C)CCC[C@H]2C(=O)C1=O 14450482 FDSKVKWNOUGNEF-ITDIGPHOSA-N 234.339 3.307 30 1 BGEF biogenic C#CCN1CCc2ccccc2[C@H]1C1CCC1 45287765 YPVOXJDCZDZJRM-MRXNPFEDSA-N 225.335 3.019 30 1 BGEF C=C(C)[C@@H]1CCC(=O)[C@]23CC[C@H](C)[C@@]2(CC1)O3 59587324 UHZUQJMIYUEZGO-CTHBEMJXSA-N 234.339 3.260 30 1 BGEF biogenic,in-vitro C=CCc1cccc2nc([C@](C)(N)CC=C)[nH]c12 587257688 JPRKNTGNQMDGIZ-OAHLLOKOSA-N 241.338 3.041 30 1 BGEF C=CCc1ccc(OC(=O)C(C)=CC)cc1 2356737639 MFVAGPYVXQOKCL-UHFFFAOYSA-N 216.280 3.287 30 1 BGEF C=C[C@@H](c1ccccc1)c1ccc(O)c(O)c1 14652313 OTJLSKLGXRCVFQ-ZDUSSCGKSA-N 226.275 3.416 30 1 BGEF biogenic C=C1C(=O)C[C@@H]2[C@@H]3O[C@]3(C)CC/C=C(\C)CC[C@@H]12 653720288 UIMHJAOZYISGTJ-GUFJNQJFSA-N 246.350 3.426 30 1 BGEF C=C1C(=O)O[C@@]23C[C@H]1CC[C@@]2(C)C=CC=C(C)O3 2356420823 OPECPXOTRXOBET-YUELXQCFSA-N 246.306 3.092 30 1 BGEF O=C1C=Cc2c(Cl)sc(Cl)c21 1654953 OYCVLEGAUGFXEI-UHFFFAOYSA-N 205.065 3.264 30 1 BGEF C=C1CC[C@@H]2C=CC[C@H](C(C)C)[C@@H]2C1=O 2356699805 JRPMSLZDANNJTE-YNEHKIRRSA-N 204.313 3.370 30 1 BGEF CO/N=C/C(=C/c1ccco1)c1ccccc1 26982074 YBQGANXBCVCNHT-KXIMDHCPSA-N 227.263 3.452 30 1 BGEF CN/C(=N\c1cccc(C)c1)SC(C)C 28137777 KWHIFJOYZCIYNZ-UHFFFAOYSA-N 222.357 3.344 30 1 BGEF C/C=C/C=C\C#C/C=C\C=C/CCOC(C)=O 238789303 OWDPPOSRJGPGQY-WBQSIOEISA-N 230.307 3.188 30 1 BGEF N#Cc1c(C(F)F)[nH]c2cc(F)ccc12 587633525 GIPYOEYFVAAXKB-UHFFFAOYSA-N 210.158 3.116 30 1 BGEF Cc1ccccc1-c1ccnc2[nH]cc(C#N)c12 1239503125 XKQZKTOPUJYNJD-UHFFFAOYSA-N 233.274 3.410 30 1 BGEF CC=CC#CC#CC=CC=CCCCCCO 2356647020 YAJHFXRUFPTBLG-UHFFFAOYSA-N 228.335 3.234 30 1 BGEF CCCCOC1=C(C)C(=O)c2ccccc2C1=O 26657115 AEZNZCJSPJWEAW-UHFFFAOYSA-N 244.290 3.156 30 1 BGEF CC1(C)CCC[C@@]2(C)CC[C@](C)(O)C[C@H]3O[C@@]312 85541800 BSLAWKTUBVGEDH-UNQGMJICSA-N 238.371 3.275 30 1 BGEF biogenic,in-vitro C=C[C@@]1(C)C[C@H]2OC(=O)[C@@H](C)[C@H]2C[C@H]1C(=C)C 238769271 HHMGIPSZHRMYCD-ARUSPNSKSA-N 234.339 3.343 30 1 BGEF C#CC[C@](O)(c1ccccc1)c1cccs1 2356284285 VKUGJJHZOZFXIJ-AWEZNQCLSA-N 228.316 3.007 30 1 BGEF CCCC#CC#CC=CC=C[C@@H]1CC[C@H](OC)O1 2356600437 LWKMRSGECVFHLH-HZPDHXFCSA-N 244.334 3.057 30 1 BGEF Cc1coc2c1[C@](C)(O)C1=C(CCC[C@@H]1C)C2=O 13380920 VNNQNPHIASWXBS-VXJOIVPMSA-N 246.306 3.108 30 1 BGEF biogenic C=CC[C@@H]1C(=O)C[C@@]2(C)[C@@H](CC=C)C(=O)C[C@]12C 17193324 YBOIABIWEKRFCE-HMEQZMJYSA-N 246.350 3.329 30 1 BGEF CC(=O)[C@H]1CC[C@@H]2[C@@H](CCC3=CC(=O)CC[C@H]32)C1 17285098 FZBFFQIUPYHEAP-YXAMBPQSSA-N 246.350 3.307 30 1 BGEF O=C(/C=C/c1ccoc1)c1ccc(F)cc1 143297232 NMZGDHPWTNZHRR-LZCJLJQNSA-N 216.211 3.315 30 1 BGEF CC1=CC(=O)C[C@]2(C)CC[C@@H]3C[C@]12OC3(C)C 1617666 GOGQVLFORQZAOZ-UGFHNGPFSA-N 234.339 3.260 30 1 BGEF O/C(=C\C=N\c1ccccc1O)c1ccco1 101479845 BMYXKFQBICLQGA-FHGRNIPQSA-N 229.235 3.287 30 1 BGEF C=C1CCC(c2ccc(O)c(C=O)c2)CC1 1857545578 DEUXKRKYAFBTJQ-UHFFFAOYSA-N 216.280 3.419 30 1 BGEF C=C(C(=O)O)[C@H]1CC[C@@]2(C)CCC(C(C)=O)=C2C1 14619659 ZFAOSFXFIKLLJT-NHYWBVRUSA-N 248.322 3.113 30 1 BGEF biogenic C/C1=C/C/C(=C(/C)CO)C(=O)C/C(C)=C/CC1 169367011 OYONKNQJEXRUQZ-CQFLGDQXSA-N 234.339 3.331 30 1 BGEF CC(C)=CC[C@@H](O)/C(C)=C1/CC=C(C)C(=O)C1 238789879 LKJQQYRLCYCQSR-WUFNSSIPSA-N 234.339 3.329 30 1 BGEF N#Cc1ccc2c(C(=O)c3ccoc3)coc2c1 587277912 HTYRNRCWCYIYPC-UHFFFAOYSA-N 237.214 3.128 30 1 BGEF CC/C=C/C(=O)c1coc2cc([N+](=O)[O-])ccc12 587279376 HQDOTPGPWRBNAW-ONEGZZNKSA-N 245.234 3.490 30 1 BGEF CC(=CNCC(C)C)C(=O)c1ccccc1 2356607277 SYNSOQGVIRRTNX-UHFFFAOYSA-N 217.312 3.019 30 1 BGEF C=C(C)[C@@H]1CC[C@]2(C1)[C@@H](C)CC(=O)C[C@H]2C=O 2356677508 RXSSJEZNYYKUBE-XFMPKHEZSA-N 234.339 3.163 30 1 BGEF C=C1C(=O)O[C@]23C[C@H]1CC[C@@]2(C)CCC[C@H]3C 28467487 PIJHVHSSMSPXBS-LTZCYQRMSA-N 234.339 3.465 30 1 BGEF CCCCCCCCOC[C@H](O)COC(C)C 73243048 HAXFADIBYNUWJM-AWEZNQCLSA-N 246.391 3.149 30 1 BGEF CCCCCCCCC[C@@H]1O[C@H]1C(=O)OC 136325508 MPTQVTVEEUZMMR-NWDGAFQWSA-N 228.332 3.068 30 1 BGEF CC1=CC[C@H](/C(C)=C/C(=O)CC(C)(C)O)CC1 215062055 VETWBGGPKLAQQE-SRXBQZRASA-N 236.355 3.409 30 1 BGEF C=C[C@@H]1CC[C@@]2(C)C=CC(=O)[C@H](C)[C@H]2C1 238735005 HXGVTBIULNLCHU-BYNQJWBRSA-N 204.313 3.370 30 1 BGEF CC(=O)C=C(C)Nc1cccc(Cl)c1 2356546442 LCYYMBIZPBZYTN-UHFFFAOYSA-N 209.676 3.245 30 1 BGEF CC=CC#CC#CC=C[C@@H](O)CCCCC 2356674856 XAXGSDODPMRMAE-HNNXBMFYSA-N 216.324 3.067 30 1 BGEF CC(C)=CCC/C(C)=C/[C@H]1C(=O)C(C)=C[C@H]1O 14487295 IRYFKBHIOJHFLA-DVFZLIDBSA-N 234.339 3.185 30 1 BGEF C=C(C)[C@@H]1CCC(=O)[C@]23CC[C@H](C)[C@]2(CC1)O3 2356513141 UHZUQJMIYUEZGO-MYZSUADSSA-N 234.339 3.260 30 1 BGEF C=C(C)[C@@H]1CC[C@@H](C)[C@@]2(O)CC(=O)C(C)=C2C1 40834952 ZRPQZLPROFXWRW-HCKVZZMMSA-N 234.339 3.019 30 1 BGEF CC(C)=CCC/C(C)=C1/CC(=O)C(C)=C[C@@H]1O 238786834 IJJMGKKVCJEOHH-HVCHUGMYSA-N 234.339 3.329 30 1 BGEF CCCCc1ccc(N/C=N/OC)c(C)c1 26752688 AAGBCVVIUDUPTR-UHFFFAOYSA-N 220.316 3.339 30 1 BGEF C=C/C=C\CCCCCCCC#CC#CCO 140349653 SQHFYPMZLFCNGF-ARJAWSKDSA-N 230.351 3.458 30 1 BGEF CC(=O)OCC/C=C/C=C/C#Cc1cccs1 238744076 MKWMFURFGUHGLT-ZUVMSYQZSA-N 246.331 3.165 30 1 BGEF CC[C@]1(C)C[C@H]1c1nc2ccc(C#N)cc2[nH]1 586888327 IOQSMWINJFSYEQ-IINYFYTJSA-N 225.295 3.338 30 1 BGEF C=C1C(=O)O[C@@H]2C[C@]3(C)C(=CCC[C@H]3C)C[C@H]12 2356564730 ZZWBELMMAWMJHU-OBEQPXDXSA-N 232.323 3.241 30 1 BGEF C=C1C(=O)O[C@H]2C=C(C)CCC=CCC[C@H]12 2356630608 XVYSFJOWUXMIEN-OLZOCXBDSA-N 218.296 3.161 30 1 BGEF CC1=C[C@H](O)C(C)(C)C=CC(=O)C(C)=CCC1 2356638044 PXEHDVGCVODKBI-AWEZNQCLSA-N 234.339 3.185 30 1 BGEF CC1=CC(=CC(=O)c2cc(O)ccc2O)CCC1 2356828491 IHHXBJSQGKNHGK-UHFFFAOYSA-N 244.290 3.337 30 1 BGEF C=C(C)[C@H]1CC(=O)c2ccccc2S1 40862987 IKPBEMCZMZIRSW-GFCCVEGCSA-N 204.294 3.310 30 1 BGEF C=C(C)c1cc2cc(C(C)=O)c(O)c(O)c2o1 216300515 COLKSGMSWMYFNX-UHFFFAOYSA-N 232.235 3.080 30 1 BGEF C=C(C)[C@H]1CCc2ccc(OC)c3c2[C@@H]1OC3=O 2356502172 ZWXLATVUKXJMGZ-QMTHXVAHSA-N 244.290 3.045 30 1 BGEF C=C(C)[C@@H](O)/C=C\C=C\c1ccccc1 169355516 QANYBZUFTNCOOT-PWDRNSCTSA-N 200.281 3.193 30 1 BGEF C=C1CC[C@H]2C[C@]3([C@@H](CO)CC[C@H]13)C2(C)C 238743635 BVQAARKEKMVAKI-KYEXWDHISA-N 220.356 3.387 30 1 BGEF C/C=C(/C)C(=O)OC/C=C/C#C/C=C/C=C/C 238769687 TWUQZXCLSSZRQZ-CLGUZSPSSA-N 230.307 3.188 30 1 BGEF CCCCCCCCC=CC[C@H](O)[C@H](C)N 2356529305 APIMNRBWCSRKIX-KBPBESRZSA-N 227.392 3.391 30 1 BGEF C=CCNC(=O)/C(C)=C(/C)c1ccc(Cl)cc1 2001134 FNXMXVMYHCIAGR-KHPPLWFESA-N 249.741 3.436 30 1 BGEF C=C1C[C@]2(O)O[C@]3(C[C@@H]2C(C)C)[C@@H](C)CC[C@@H]13 5037478 QRMPRVXWPCLVNI-AHDPXTMNSA-N 236.355 3.112 30 1 BGEF endogenous,in-man CC(C)=CC#C/C(C)=C/C/C=C1\COC(=O)C1 15214202 TZXWZXDSJNUSON-MGDWIPCISA-N 230.307 3.166 30 1 BGEF CC1=C(O)[C@@](C)(Cc2cccc(C)c2)SC1=O 101074617 FFKYTIGDTKRCPH-CQSZACIVSA-N 248.347 3.402 30 1 BGEF C=C1O[C@H]2[C@@H](CC[C@]3(C)[C@@H]2C(C)=CC[C@H]3O)[C@@H]1C 238743970 STIYXYABWPDGCS-PRLTYNAASA-N 248.366 3.278 30 1 BGEF C=CCC(C)(C)c1nc2cccc([N+](=O)[O-])c2[nH]1 587954195 HQCYOJDGBXWSMI-UHFFFAOYSA-N 245.282 3.325 30 1 BGEF COc1ccc(/C(Cc2ccccc2)=N/O)cc1 34147154 QLRSMLGUBNUXQI-FOCLMDBBSA-N 241.290 3.116 30 1 BGEF Cc1ccc(-c2ncnc3[nH]cc(C#N)c23)c(C)c1 95576814 BUKDWCFUXFLBHB-UHFFFAOYSA-N 248.289 3.113 30 1 BGEF C[C@H]1C[C@H]1c1[nH]c2cccc(F)c2c1C#N 587635281 JIVAVROGDGWVCO-JGVFFNPUSA-N 214.243 3.302 30 1 BGEF CC#Cc1nc2cc(C)c(Br)cc2[nH]1 587953742 QMGWPNYCYXBQRC-UHFFFAOYSA-N 249.111 3.005 30 1 BGEF CCCCCCCC=CCC[C@@H](O)CN 2356466402 DWDAHMXGVSCAHG-CYBMUJFWSA-N 213.365 3.003 30 1 BGEF C=C[C@](C)(O)C[C@H]1C=C(C)[C@@H](CC=C(C)C)O1 2356563121 QNHVMLXVTOJGNW-KFWWJZLASA-N 236.355 3.384 30 1 BGEF CC1=C/C(=N\Nc2ccc(C)cc2C)C(=O)C=C1 103919189 STUFGHCOCKKTOP-SAPNQHFASA-N 240.306 3.157 30 3 BGEF Cc1ccc2[nH]c3c(c2c1)CCC/C(=C\O)C3=O 102894877 BIFDKXXALHPDBN-CSKARUKUSA-N 241.290 3.437 30 1 BGEF C=C(C)[C@@H]1CC[C@H](C)C2=C(C1)[C@](C)(O)CC2=O 14454022 DMGJIXSDTIWKOG-FIXISWKDSA-N 234.339 3.019 30 1 BGEF biogenic C/C1=C/CC[C@]2(C)O[C@H]2CC(C)(C)/C=C/C1=O 100734134 UXYYOHOTPOQJPD-TZTKDNMQSA-N 234.339 3.426 30 1 BGEF endogenous,in-man CC1=C2CC[C@@]3(C)[C@H](C[C@@H](C)[C@H]3O)[C@@H]2CCC1=O 101227506 MQUWOZCDCNPFTM-YUHPLZMDSA-N 248.366 3.099 30 1 BGEF CC1(C)O[C@]2(C)CCC=C3C(=O)C=C[C@H]1[C@@]32C 15169703 YYXXGJKFOHXSML-BPLDGKMQSA-N 232.323 3.036 30 1 BGEF biogenic,in-vitro C=CC(C)(C)c1nc2c(C)nc(C)cc2[nH]1 587955988 XNHNBIMKUQBDIC-UHFFFAOYSA-N 215.300 3.038 30 1 BGEF C=C1C(=O)C[C@@H]2[C@@H]1CCC(C)=CCC[C@@]1(C)O[C@@H]21 2356624271 UIMHJAOZYISGTJ-LUYZLQTOSA-N 246.350 3.426 30 1 BGEF C/C=C\C#CC#C/C=C/C=C/CCCCC(=O)O 15274042 QRMUVFBZROTBPM-ULTUQXKFSA-N 242.318 3.327 30 1 BGEF COc1cccc(C#Cc2csc(CF)n2)c1 28701635 ACGWDWBCEMCJBH-UHFFFAOYSA-N 247.294 3.021 30 1 BGEF C=C1[C@](C)(O)CC[C@@]1(C)c1ccc(C)cc1O 34581560 OTLGMBCGSIMCIP-HUUCEWRRSA-N 232.323 3.059 30 1 BGEF C=C(C)C(=O)CC[C@]1(C)[C@@H]2CC[C@@]1(C)[C@H](O)C2 238756665 MMYXNKRPSPAXBS-NGFQHRJXSA-N 236.355 3.099 30 1 BGEF C[C@@H](NC(=O)[C@H](C#N)C(C)(C)C)c1ccccc1 103180974 UYEAMGWQFXEKHP-YPMHNXCESA-N 244.338 3.050 30 1 BGEF C#Cc1cccc(/N=C/c2cc(F)ccc2O)c1 1857576700 PEQYFGNIANGNIE-LICLKQGHSA-N 239.249 3.263 30 1 BGEF CC(C)=CCC[C@](C)(O)[C@@H]1CC=C(C)C(=O)C1 14444304 VEWUIXZHFZRBOM-HIFRSBDPSA-N 236.355 3.409 30 1 BGEF biogenic C[C@H]1CC[C@@]23O[C@]12C[C@@H](C(C)(C)O)CC[C@H]3C 2356786220 ZLTJNMGRSFNNFA-FUQNVFFISA-N 238.371 3.131 30 1 BGEF N#Cc1ccc2c(c1)/C(=C/c1cnc[nH]1)CCC2 13611822 QCSHDBFRWJERMU-NTUHNPAUSA-N 235.290 3.158 30 1 BGEF CC[C@@H](C(=O)N(C)O)c1ccc(CC(C)C)cc1 28092994 MDKGKIDXVPSWOO-CQSZACIVSA-N 249.354 3.226 30 1 BGEF C/N=C(/Cc1ccc2ccccc2c1Cl)NC 29412210 UZCSJKBXTKGAQF-UHFFFAOYSA-N 246.741 3.283 30 1 BGEF C=C1CC[C@@]23C[C@H]1C(C)(C)[C@@H]2[C@@H](O)C[C@H]3C 103548449 XXEZIFFYVUWPSP-BIGJJFBESA-N 220.356 3.386 30 1 BGEF biogenic,in-vitro C=C(C)/C=C/c1ccc2c(CO)c[nH]c2c1 299831932 OZJMGBJZCCYBJF-ONEGZZNKSA-N 213.280 3.250 30 1 BGEF CC(C)(C)NC[C@H](S)c1ccccc1 621431238 MWPQJWPRTWTLDJ-NSHDSACASA-N 209.358 3.046 30 1 BGEF CCC1=C2CC[C@@]3(C)[C@@H](CC[C@H]3O)[C@H]2CCC1=O 1570 DOTDLCMVUVGSDP-UGQVUOCMSA-N 248.366 3.243 30 1 BGEF C=C(C)[C@H]1CC[C@@]2(C1)[C@@H]1CO[C@@]2(C)CC(=O)C1 14950168 YHIWYGHFGRMQMO-NZBPQXDJSA-N 234.339 3.117 30 1 BGEF endogenous,in-man CCCCCCCc1cc(OC)cc(=O)o1 42764435 CJHBGTKQRZIZGO-UHFFFAOYSA-N 224.300 3.161 30 1 BGEF N#CC[C@]12N[C@@H](Cc3ccccc31)c1ccccc12 100660032 YCPSGTGETFVEQO-IRXDYDNUSA-N 246.313 3.044 30 1 BGEF CC#Cc1nc2cc(Br)cc(C)c2[nH]1 587953738 QFVUKKKZOBLYAL-UHFFFAOYSA-N 249.111 3.005 30 1 BGEF C=CCCCCCCCC=C[C@@H](O)[C@H](C)N 2356442386 AKXWKMQPINMKAE-UONOGXRCSA-N 225.376 3.167 30 1 BGEF CC#CC#CC#CC=CC=CCCCCCC=O 2356531530 CBBSNXFBTMUDDB-UHFFFAOYSA-N 238.330 3.278 30 1 BGEF C[C@@H](O)c1ccc(C#Cc2cccs2)s1 14593515 MURPWTGWPABHFJ-SECBINFHSA-N 234.345 3.263 30 1 BGEF biogenic CCCc1cc(C2CCCCC2)nc(C#N)n1 49051136 WGTHPYHNMKDPLN-UHFFFAOYSA-N 229.327 3.348 30 1 BGEF in-vivo CC#Cc1nc2cc(F)cc(C(F)(F)F)c2[nH]1 587952925 DVHNCIYOIAQQSE-UHFFFAOYSA-N 242.175 3.092 30 1 BGEF C#C[C@@H]1CCc2nc3cccc4c3c(c2C1)CC4 587214496 AYYPAIWANLHULQ-LLVKDONJSA-N 233.314 3.072 30 1 BGEF C=C1CC[C@H](C(C)C)[C@H](O)C=C(C)CC[C@@H]1O 2356499167 WQYONXWMGBWUDV-QLFBSQMISA-N 238.371 3.057 30 1 BGEF CC(=O)C=CC1=C(C)[C@@H]2CC[C@H](C)[C@@H]2[C@@H](C)O1 2356619075 SRSZWWZBWAHJNN-BYDSVVRCSA-N 234.339 3.487 30 1 BGEF C=C1CC[C@H](O)[C@@H]2CC[C@H](C(C)C)[C@H]2C1 2356635130 SLEMTBYSKIWKRJ-SYQHCUMBSA-N 208.345 3.386 30 1 BGEF C=CCCc1cc2c3c(cccc3n1)CC2 587213943 MIWIIVOQBWGZII-UHFFFAOYSA-N 209.292 3.452 30 1 BGEF C=CCc1cccc2nc([C@@H](N)C(C)(C)C)[nH]c12 587259053 PMMXKDVWHWAKDT-CYBMUJFWSA-N 243.354 3.337 30 1 BGEF CC1=CCC(C)(C)C=CC(=O)[C@@H](C)[C@H](O)CC1 2356588297 OIBRGSMIBZDMCG-QWHCGFSZSA-N 236.355 3.265 30 1 BGEF C=C1C[C@H]2C=C[C@@]3(C[C@H](C)C[C@H]13)[C@@H]1[C@@H]2[C@@]1(C)CN 2356766986 KDBRUEWLDRTUFV-RHEXVZGZSA-N 243.394 3.376 30 1 BGEF CC[C@]12CCC(=O)C(C)=C1c1ccc(O)cc1C2 34633773 HDCICPRPCFHBGD-MRXNPFEDSA-N 242.318 3.481 30 1 BGEF C#C[C@H]1[C@@H](c2ccc(C)cc2)C[C@@H]2CC[C@H]1N2C 40836355 XJBYWHGJCZEKEO-MWDXBVQZSA-N 239.362 3.195 30 1 BGEF CC(C)C1=C[C@]2(O)[C@H](C)CCC[C@@]2(C)CC1=O 14452633 CRUIAACAZODGLK-UGFHNGPFSA-N 236.355 3.099 30 1 BGEF biogenic CC(=O)C=C(C)NC[C@H]1[C@H](CC(C)C)C1(C)C 2356734579 YVIJRNHZYQJESG-KBPBESRZSA-N 237.387 3.387 30 1 BGEF N#CCN(Cc1ccc(F)cc1)c1ccccc1 72970338 HAOPOTSBHWFSSA-UHFFFAOYSA-N 240.281 3.356 30 1 BGEF C=CCC[C@]1(C)CC(=O)c2cc(C)cc(N)c2O1 587403184 KPEXEWXSHAAKIL-OAHLLOKOSA-N 245.322 3.267 30 1 BGEF CC(C)=CCCC(C)=C1C[C@@H](O)C(C)=CC1=O 2356409957 XYLPDPPGAMCDQW-CQSZACIVSA-N 234.339 3.329 30 1 BGEF C=C1CC[C@H]2C(=C)C(=O)O[C@H]2[C@@H]2C(=C)CC[C@H]12 100878661 NETSQGRTUNRXEO-XJFOESAGSA-N 230.307 3.017 30 1 BGEF C[C@@H]1CC(=O)C=C2CC[C@]3(C[C@]21C)OC3(C)C 1772574463 NBJSLZLLGUKEDK-WKPIXPDZSA-N 234.339 3.260 30 1 BGEF CC1=C2C(=O)c3c(C)coc3C[C@]2(C)[C@H]2C[C@@H]12 2356403455 JWUZQAFWZLAXJS-AMJWSMQMSA-N 228.291 3.299 30 1 BGEF C=C1CC[C@H](C(C)C)[C@@H](O)C=C(C)CC[C@H]1O 2356499166 WQYONXWMGBWUDV-KFWWJZLASA-N 238.371 3.057 30 1 BGEF C#CCCCCC#Cc1ccccc1C(=O)OC 1631807 MPQDPTXPCUYGHH-UHFFFAOYSA-N 240.302 3.018 30 1 BGEF CC1=C(O)[C@@](C)(Cc2ccc(C)cc2)SC1=O 13553927 RGYUMIUCPQIDNE-CQSZACIVSA-N 248.347 3.402 30 1 BGEF CCCCC(=O)OCC[C@H](S)CCC 14589061 VMHWVDZUYLYJAJ-SNVBAGLBSA-N 218.362 3.208 30 1 BGEF endogenous,in-man COc1ccsc1-c1ccccc1C#N 28816763 UJPGFGDIRKPBLB-UHFFFAOYSA-N 215.277 3.295 30 1 BGEF C/C=C/C(=O)c1coc2cc(C#N)ccc12 587279509 WZSDQGAGDQWOLN-NSCUHMNNSA-N 211.220 3.063 30 1 BGEF CC1=C[C@H](O)C(C)(C)CCC[C@@]2(C)O[C@@H]2CC1 2356575610 UGEZIAGFRNUQOR-GZBFAFLISA-N 238.371 3.441 30 1 BGEF CC#Cc1nc2cc(C)cc(Br)c2[nH]1 587953217 HMUCKQURLOZGFA-UHFFFAOYSA-N 249.111 3.005 30 1 BGEF C=C(CO)[C@@H]1CC[C@@]2(C)CCC(=O)C(C)=C2C1 15207457 PPEAYEMIWAFAFB-DOMZBBRYSA-N 234.339 3.021 30 1 BGEF biogenic CC/C=C/C(=O)c1coc2cc(C#N)ccc12 587278864 MZXPLJXDRMWPOR-ONEGZZNKSA-N 225.247 3.453 30 1 BGEF C=C1C(=O)O[C@@H]2C[C@H](C)[C@@H]3CC=C(C)[C@H]3C[C@@H]12 2356438427 FPYYHRVRNGJDJA-FRVYIDGWSA-N 232.323 3.097 30 1 BGEF CC(C)=C1C[C@@]2(C)[C@H](CCC[C@H]2C)C(=O)C1=O 2356536947 FDSKVKWNOUGNEF-IXPVHAAZSA-N 234.339 3.307 30 1 BGEF CCCCCCCCc1nccnc1OC 44281187 YZEKUSSOIBZUIS-UHFFFAOYSA-N 222.332 3.388 30 1 BGEF C/C1=C\CC[C@]2(C)O[C@H]2CC(C)(C)/C=C/C1=O 137643399 UXYYOHOTPOQJPD-CBBPQGBRSA-N 234.339 3.426 30 1 BGEF Cc1ccc(C=C2C(=O)c3ccncc3[C@@H]2C)o1 2356541520 FMELDHMCOAMSPH-SNVBAGLBSA-N 239.274 3.366 30 1 BGEF CC1(C)CCC[C@]2(CO2)[C@@H]2CC[C@]3(C)O[C@H]3[C@H]21 2356659674 NPCUVKWCXITFFV-SQLGEJSKSA-N 236.355 3.149 30 1 BGEF C/C(=N\Nc1ccc(F)cc1)c1ccncc1 4587077 ASHZHQPKGGNJDL-MHWRWJLKSA-N 229.258 3.057 30 3 BGEF C#Cc1cccc(-c2nc3cccc(C#N)c3[nH]2)c1 586879504 GJTIJAAXZPXRAR-UHFFFAOYSA-N 243.269 3.083 30 1 BGEF C=C1C(=O)O[C@@H]2C[C@]3(C)CCC(O)=C(C)[C@@H]3C[C@H]12 2356784782 PZQLQSNITGNRMK-OICBVUGWSA-N 248.322 3.126 30 1 BGEF CC(C)=CCC/C(C)=C1/C[C@H](O)C(C)=CC1=O 210705771 XYLPDPPGAMCDQW-FZDNWWAKSA-N 234.339 3.329 30 1 BGEF C=C1C(=O)O[C@H]2[C@@H]1CC[C@@H](C)[C@@H]1CCC(=C)[C@@H]12 238746993 ODEYWUTXOUYPGX-AKCLXFFXSA-N 232.323 3.097 30 1 BGEF C=CCC(C)(C)c1nc2cc3cn[nH]c3cc2[nH]1 587954430 UQMIHWSUANYPEY-UHFFFAOYSA-N 240.310 3.293 30 1 BGEF C=C1CCC[C@]2(C)C=C3OC(=O)[C@H](C)[C@H]3C[C@H]12 2356728099 YRYJELNGMLPXRY-RTWAVKEYSA-N 232.323 3.446 30 1 BGEF C=CCC[C@H]1CCCCC/C1=N\N(C)C 5922665 JHDFENFBBMSVAW-FWJVZWRSSA-N 208.349 3.451 30 1 BGEF C/C=C(\C)C#Cc1ccc(CCC(=O)O)c(F)c1 203531067 ZHOWKHLSVSSENE-QDEBKDIKSA-N 246.281 3.161 30 1 BGEF C=C1CC[C@@H](O)C(C)(C)C=C[C@@H](C)CCC1=O 299806793 SSWUIXHLQYARRL-SMDDNHRTSA-N 236.355 3.265 30 1 BGEF CC=CC=CC(=O)c1cc(C)c(OC)cc1O 2356489985 RIXFUJVWYPOMHN-UHFFFAOYSA-N 232.279 3.024 30 1 BGEF C=C(C(=O)O)[C@H]1CC[C@]2(C)CCC(=O)C(C)=C2C1 14451571 RDGFGQJFNSCICW-XHDPSFHLSA-N 248.322 3.113 30 1 BGEF biogenic C=C(C)[C@H]1CCc2cccc3c2[C@H]1OC3=O 14659780 HPRUINVTECPGHJ-MFKMUULPSA-N 214.264 3.037 30 1 BGEF biogenic C=C[C@]1(C)C[C@@H]2OC(=O)[C@H](C)[C@@H]2C[C@H]1C(=C)C 238751831 HHMGIPSZHRMYCD-HYFYGGESSA-N 234.339 3.343 30 1 BGEF C=C(C(=O)O)[C@H]1CC=C(C=CC(C)=O)[C@@H](C)CC1 2356633462 ZRGVVFJDAHZPKJ-IINYFYTJSA-N 248.322 3.135 30 1 BGEF C=CCCCC[C@@H](O)/C=C/C#C/C=C/C 238751195 FDFGZMGALLFLNJ-DJHBACGWSA-N 204.313 3.229 30 1 BGEF C/C1=C\C(C)(C)/C=C/C(=O)[C@@H](C)CCCC1=O 238784181 NFDDZSDTJCSOCJ-YNRCUAJMSA-N 234.339 3.473 30 1 BGEF C=C(C)[C@@H]1C[C@@H](O)[C@@H](C)c2cc(O)c(C)cc21 2356407066 OOQATJJYWGXKAO-ZIBATOQPSA-N 232.323 3.228 30 1 BGEF N#Cc1c(-c2cccnc2)[nH]c2cc(F)ccc12 116648869 WPFQULVVTNHJGD-UHFFFAOYSA-N 237.237 3.241 30 1 BGEF C=C(C)[C@@H]1CC[C@]2(C)CC[C@@H](O)[C@@]3(C)O[C@@]23C1 15206929 AXKKANUAFIGTQI-RYPNDVFKSA-N 236.355 3.051 30 1 BGEF endogenous,in-man C=C1[C@H]2[C@H]3[C@H](C(C)C)CC[C@@]2(C)[C@@H]3C[C@H]1O 195763142 LPXOPRGPLUWGKB-RHTUOURWSA-N 220.356 3.242 30 1 BGEF Cc1ccc(-c2nc3c(C)ccnc3[nH]2)cc1C#N 587188090 OBHGCXVSNQEJAZ-UHFFFAOYSA-N 248.289 3.113 30 1 BGEF C/C=C(\C)C(=O)c1coc2cc([N+](=O)[O-])ccc12 587278970 CGQVMVBSQGOOOL-FPYGCLRLSA-N 245.234 3.490 30 1 BGEF N#Cc1cc(Cl)c2[nH]c(CC3CC3)nc2c1 587959009 KJJXLPCYQFORAJ-UHFFFAOYSA-N 231.686 3.040 30 1 BGEF CC1=CC(=O)[C@H]2[C@@H]3[C@H](C(C)C)CC[C@@]2(C)[C@@H]13 100781015 CTFSUCDHRVDRKG-KLLKFSIISA-N 218.340 3.450 30 1 BGEF endogenous,in-man CC[C@@]1(C)C[C@H]1c1nc2cccc(C#N)c2[nH]1 586886519 CIPOOQJHECUDSM-HZMBPMFUSA-N 225.295 3.338 30 1 BGEF C=C1[C@H]2CC[C@H]([C@@]1(C)C1CCCC1)[C@]2(O)OC 2356357335 RXBHTDILEZJYGJ-KBUPBQIOSA-N 236.355 3.114 30 1 BGEF CC=C(C)[C@@H]1SC(=O)C(C)=C(O)[C@H]1C 2356416275 OAVVXAWSFUKBGM-XCBNKYQSSA-N 212.314 3.063 30 1 BGEF CC1=CC[C@]2(CC1=O)[C@@H](C)CC(=O)[C@@H]2C(C)C 14413227 SXHQJMKFQDMBIW-CQDKDKBSSA-N 234.339 3.163 30 1 BGEF endogenous,in-man CC1=C2C[C@H](C(C)(C)O)CC[C@]2(C)C=CC1=O 14452370 LANJJAPTVZVEFL-IAQYHMDHSA-N 234.339 3.019 30 1 BGEF biogenic CCCCCCCC[C@H](C(=O)O)[C@H](C)C(=O)O 44352000 CFXMOECYUQUKMY-QWRGUYRKSA-N 244.331 3.159 30 1 BGEF C[C@H]1CC[C@H]2[C@@H]1[C@@H]1[C@H](CC[C@@]23CO3)C1(C)C 4521161 XPGWKKLDFXNBPJ-QBOXMOKDSA-N 220.356 3.484 30 1 BGEF in-man C=C1CC[C@H]2C(C)=CCC3=C(C)C(=O)O[C@@H]3[C@@H]12 40835379 AUQBJGRMIQTFBR-UBHSHLNASA-N 230.307 3.161 30 1 BGEF CC[C@@H](O)c1ccc(-c2ccc(C#N)n2C)cc1 58582151 NNRGZBIPZOXVLB-OAHLLOKOSA-N 240.306 3.007 30 1 BGEF CCCCCCCCCCCNC(=O)NC 261088284 CZQYCRHFDSHZRQ-UHFFFAOYSA-N 228.380 3.446 30 1 BGEF Oc1ccccc1CC=NC1CCCCC1 1857622910 BSWCIDMQFUXOAE-UHFFFAOYSA-N 217.312 3.338 30 1 BGEF CC1=C2OCC[C@@]2(C)[C@@H]2CC(C)(C)C=C2C1=O 2356334525 IWCUKSMMOSRCHQ-ABAIWWIYSA-N 232.323 3.242 30 1 BGEF Cc1ccc([C@]2(C)C[C@@H]3O[C@]3(C)[C@H]2C)c(O)c1 2356636101 VJKVBYPPYRIGJH-BSLXNSKLSA-N 232.323 3.156 30 1 BGEF C=C(C)[C@H]1[C@H]2C[C@H](C)CC[C@H]2C=C[C@H]1O 2356792270 JNLCTWKBTBOGQR-HTOAHKCRSA-N 206.329 3.162 30 1 BGEF C[C@@H]1CC[C@H]2[C@@H]1[C@@H]1[C@@H](CC[C@@]23CO3)C1(C)C 14856373 XPGWKKLDFXNBPJ-PVZBEVCSSA-N 220.356 3.484 30 1 BGEF endogenous,in-man CC[C@@H]1C[C@@H]2[C@H]3CCC(=O)C=C3CC[C@@]2(C)[C@@H]1O 29480954 ABTDALAHKLLQIZ-RNPDWPAJSA-N 248.366 3.099 30 1 BGEF C=CC=CCCCCCCCC#CC#CCO 2356472328 SQHFYPMZLFCNGF-UHFFFAOYSA-N 230.351 3.458 30 1 BGEF CC(C)(C)ONC(=O)c1cccc(N=[N+]=[N-])c1 95809597 QPSOCRZNYGQDIZ-UHFFFAOYSA-N 234.259 3.088 30 1 BGEF C=C1C(=O)O[C@@H]2C=C(C)[C@@]3(CCC[C@@H]3C)C[C@H]12 238744052 CBEDGQYRMKFIGH-FWHFQCOYSA-N 232.323 3.241 30 1 BGEF N#Cc1c(C2CCOCC2)[nH]c2cccc(F)c12 587635998 WKGOQJKNROOVQX-UHFFFAOYSA-N 244.269 3.073 30 1 BGEF C=C1C(=O)O[C@@H]2C[C@]3(C)CCC[C@H](C)[C@H]3C[C@@H]12 2356501666 JXQAFXNUAFUSQA-GWJZTGGPSA-N 234.339 3.321 30 1 BGEF C=C1C(=O)O[C@@H]2C3=C(C)CCC[C@]3(C)CC[C@H]12 5766690 PJPHIAMRKUNVSU-OSAQELSMSA-N 232.323 3.385 30 1 BGEF biogenic C=C1C(=O)O[C@@H]2[C@H]1CC[C@]1(C)CCC=C(C)[C@@H]21 238756482 UHODXTMZSDNATP-XPCVCDNBSA-N 232.323 3.241 30 1 BGEF CC[C@]12C=CC3=C(C)C(=O)CC[C@@H]3[C@@H]1CC[C@H]2O 253632580 AMHRBYOHIWXPJX-UGQVUOCMSA-N 246.350 3.019 30 1 BGEF CNC=C(C(=O)c1ccccc1)c1ccccc1 2356320280 SJXLODDPJGSODB-UHFFFAOYSA-N 237.302 3.130 30 1 BGEF C=C[C@H](O)C=CC#CC=CC=CCCCC 2356434251 JRDMGDZXFPPPTM-HNNXBMFYSA-N 216.324 3.396 30 1 BGEF CC1=CCC(C)(C)[C@H]2CC[C@](C)(O)C2=CC1=O 2356481098 DALCJJKJCXNGKA-NHYWBVRUSA-N 234.339 3.019 30 1 BGEF C=C(CO)[C@H]1CC[C@@]2(C)CCC(=O)C(C)=C2C1 15207454 PPEAYEMIWAFAFB-WFASDCNBSA-N 234.339 3.021 30 1 BGEF biogenic Cc1cccc2c3c([nH]c12)C(=O)/C(=C/O)CCC3 73199036 XVTUQTRFDQCKSN-CSKARUKUSA-N 241.290 3.437 30 1 BGEF COc1ccc(Cl)cc1C#Cc1ccoc1 587910031 HWEPUOZDJBRQSJ-UHFFFAOYSA-N 232.666 3.341 30 1 BGEF C=CCNCCOc1c(C)cc(C)cc1Cl 4568351 FZHIUTMRNVPGPH-UHFFFAOYSA-N 239.746 3.111 30 3 BGEF C=C(C)[C@@H]1CC[C@@H]2CCC=C3C(=O)OC[C@H]3[C@@H]21 14685168 VFMYSTYSSGVVLZ-VTPLQMEGSA-N 232.323 3.098 30 1 BGEF biogenic S[C@@H]1Nc2cc(Cl)ccc2S1 45258294 KLBYCJBGZRJSFY-ZETCQYMHSA-N 203.719 3.071 30 1 BGEF C=CCc1ccc(O)c(-c2ccc(O)c(O)c2)c1 205498797 SUIYAGVKFSSBMW-UHFFFAOYSA-N 242.274 3.199 30 1 BGEF Cc1ccc([C@]2(C)C[C@H]3O[C@@]3(C)[C@H]2C)c(O)c1 238736690 VJKVBYPPYRIGJH-QOWREQOWSA-N 232.323 3.156 30 1 BGEF C=CCO[C@H]1Cc2c1nc1cccc3c1c2CC3 587212787 CSIVWUVUVLNILL-AWEZNQCLSA-N 237.302 3.133 30 1 BGEF O/N=C1\c2ccccc2N[C@@H]1c1ccccc1 1772628484 AJGNDNPBNQFRRG-ZPTIMJQQSA-N 224.263 3.032 30 1 BGEF Cc1ccc(C#C/C=C/COC(=O)C(C)C)s1 238777900 CTYCJIYJQUIHLJ-GQCTYLIASA-N 248.347 3.163 30 1 BGEF C=C1C=Cc2csc(SC)c2C1=O 584904676 BRJSKZMFXIHQOD-UHFFFAOYSA-N 208.307 3.236 30 1 BGEF in-vitro CCCC#CC#CC=CC=C[C@H]1CC[C@@H](OC)O1 2356600436 LWKMRSGECVFHLH-HOTGVXAUSA-N 244.334 3.057 30 1 BGEF C=CC(=O)C#CC#CC=CC=CCCCC 2356725316 FCTWTXOIPKRSGG-UHFFFAOYSA-N 212.292 3.051 30 1 BGEF CCCCCC/C=C1\CC[C@@H](CN(C)C)C1=O 1618766 BJLZVXADIMZPNG-SSUFTNFISA-N 237.387 3.424 30 1 BGEF CC(C)c1c(CC#N)[nH]c2c(C(=O)O)cccc12 587638889 XIPKGYKTUOQVRN-UHFFFAOYSA-N 242.278 3.056 30 1 BGEF CC1=CC[C@@H](C(C)=CC(=O)CC(C)(C)O)CC1 2356473924 VETWBGGPKLAQQE-CYBMUJFWSA-N 236.355 3.409 30 1 BGEF CCCC/C=C1\CC[C@@](C)(CN(C)C)C1=O 1625824 DYXQPHYXWDVRGH-BCNIOPEESA-N 223.360 3.034 30 1 BGEF O=C1C(=C2CCCC2)CC[C@H]1CN1CCCCC1 1625839 QVSNCCYKBYDTNO-AWEZNQCLSA-N 247.382 3.322 30 1 BGEF CCCCCCC[C@H](C)c1nc(O)cc(O)n1 653825393 KLNCUXZZIJROQZ-JTQLQIEISA-N 238.331 3.352 30 1 BGEF C=C(C)[C@@H]1CC(=O)[C@@H]2CC(=O)C[C@H](C)[C@]2(C)C1 15200819 FFYAYKVAOOBUBP-WJNVRWDZSA-N 234.339 3.163 30 1 BGEF endogenous,in-man CNC[C@@H]1C[C@H]1c1cccc2cc(C#N)ccc12 28960294 JUYWPKNJPYGGJT-XJKSGUPXSA-N 236.318 3.034 30 1 BGEF C=C[C@]1(C)CC[C@H]2[C@H](C)C(=O)O[C@@H]2[C@H]1C(=C)C 38313564 LMNJALUUIMXUQQ-DKBOKBLXSA-N 234.339 3.343 30 1 BGEF C=C1[C@H](O)C[C@@H]2C(C)=C[C@@H]2[C@H]2[C@@H](C)CC[C@@H]12 95918934 YHSVQXCYEKUOFR-ZEISGHQPSA-N 218.340 3.162 30 1 BGEF biogenic,in-vitro C=C1[C@H](C)CC[C@@]2(C)C3=C(CC[C@H]12)COC3=O 13406062 GCLXGPRAUABJSQ-DDHOLCJHSA-N 232.323 3.242 30 1 BGEF biogenic C=C(C)[C@@]1(O)CC[C@]2(C)CC(=O)C=C(C)[C@@H]2C1 14452365 SAJFRLDIWQUNCQ-RRFJBIMHSA-N 234.339 3.019 30 1 BGEF C=C(C)[C@@H]1CC[C@@]2(C)C[C@@H](O)C(=O)C(C)=C2C1 2356484129 JQVYRXJDFBMIFN-KYOSRNDESA-N 234.339 3.019 30 1 BGEF CC(=O)[C@@H]1CC(=O)C2=C(C)CC[C@@H](C(C)C)[C@H]21 2356571650 XTEXPKPDBRKBPS-HUBLWGQQSA-N 234.339 3.163 30 1 BGEF CC1=CC(=O)C=C/C1=C1\C=Nc2ccccc2N1 61872428 CHVXPAJKAYGUBL-QINSGFPZSA-N 236.274 3.154 30 3 BGEF C=C(C)[C@H]1CC[C@]2(C1)[C@@H]1CO[C@@]2(C)CC(=O)C1 14950174 YHIWYGHFGRMQMO-JURCDPSOSA-N 234.339 3.117 30 1 BGEF endogenous,in-man C=C[C@]1(C)CCC2=C(C)C(=O)O[C@H]2[C@@H]1C(=C)C 15150136 GXRBKDQCWNWEHB-GZBFAFLISA-N 232.323 3.407 30 1 BGEF biogenic CC(C)=C1C(=O)CC[C@H](C)[C@@H]2C[C@@H](O)C(C)=C12 2356404956 BZTZLJRCICGEAO-XHVZSJERSA-N 234.339 3.019 30 1 BGEF C=C(C(=O)O)[C@@H]1CC[C@@]2(C)CCC=C[C@@H]2C1 2356433476 KJSAXQYTHNRIBJ-YRGRVCCFSA-N 220.312 3.400 30 1 BGEF O=Cc1[nH]c2ccccc2c1C#Cc1ccccc1 34614840 QBPYEZVEZHGAEC-UHFFFAOYSA-N 245.281 3.380 30 3 BGEF C=CCNC(=O)/C(C)=C(\C)c1ccc(C)cc1 2001152 USSPLFGFHXEMPX-OUKQBFOZSA-N 229.323 3.091 30 1 BGEF CC(C)Sc1nc(C#N)cc2c1CCCC2 4100163 BKSDQGVGMMDXRJ-UHFFFAOYSA-N 232.352 3.333 30 1 BGEF C[Si](C)(C)C#Cc1cc2ccccc2c(=O)o1 653791431 XXGFNHMOLYPLSB-UHFFFAOYSA-N 242.350 3.022 30 1 BGEF C=C(C)C(=O)CC[C@@]1(C)[C@H]2CC[C@]1(C)[C@H](O)C2 13382826 MMYXNKRPSPAXBS-PMOUVXMZSA-N 236.355 3.099 30 1 BGEF biogenic,in-vitro C=C1C(=O)O[C@]23C[C@H]1CC[C@@]2(C)CCCC3=C 15207356 LGGISTNQEQBGNY-YUELXQCFSA-N 232.323 3.385 30 1 BGEF biogenic,in-vitro C[C@H]1CC(=O)C([C@@]2(C)CCCC2(C)C)=CC1=O 238771396 VMJFMEPSANWZNT-ZUZCIYMTSA-N 234.339 3.307 30 1 BGEF CC1=CC2=C(CC(C)(C)C2=O)[C@H](C)CCC1=O 96911619 PFDJAISCVCEYSA-SECBINFHSA-N 232.323 3.227 30 1 BGEF CC/C=N/Nc1nc2cccc(C)c2s1 1772593992 ADNDXFBIIMTRND-KPKJPENVSA-N 219.313 3.412 30 1 BGEF Cc1nc(-c2ccc(N/C=N\C(C)C)cc2)c[nH]1 71325802 FXJAOWANXXJWGJ-UHFFFAOYSA-N 242.326 3.234 30 1 BGEF in-man C=C(C)[C@H]1CCc2cccc(C=O)c2C1 85996873 VKFLVDGYLNXCSO-LBPRGKRZSA-N 200.281 3.180 30 1 BGEF C/C=C(\C)C(=O)c1coc2cc(C#N)ccc12 587279410 RZVSNWIOCNPNIK-YCRREMRBSA-N 225.247 3.453 30 1 BGEF C=C1C(=O)O[C@@H]2C3=C(C)CC=C[C@@]3(C)CC[C@H]12 2356382062 LOWUURLXSKVQTP-ZLDLUXBVSA-N 230.307 3.161 30 1 BGEF C=C1CC[C@H]2[C@H](OC(=O)[C@@H]2C)[C@@H]2C(=C)CC[C@H]12 70451183 UJADCNYXDHHISU-KSTCHIGDSA-N 232.323 3.097 30 1 BGEF biogenic,in-vitro C/C=C\C=C/C#C/C=C/C=C\CCOC(C)=O 238755730 OWDPPOSRJGPGQY-NOKNIGAHSA-N 230.307 3.188 30 1 BGEF C=C1CCC[C@]2(C)C[C@@H]3OC(=O)[C@@H](C)[C@H]3C[C@H]12 5534612 YYJRTJYCOMIDIC-IHWVXMPCSA-N 234.339 3.321 30 1 BGEF in-man CC1=CC(=O)CC(C)(C)[C@H]1/C=C/C(C)=C\C(=O)O 28900125 FCRACOPGPMPSHN-NTUGQGQXSA-N 248.322 3.135 30 1 BGEF in-vitro C=C1CC[C@@](C)([C@H]2C[C@@H]3C(CO)=C[C@@H]32)[C@H]1C 238744946 RYPZBJYEIAAUNP-WCDYYPSBSA-N 218.340 3.163 30 1 BGEF C=CC(C)(C)c1nc2cc(Cl)cnc2[nH]1 587954317 OOGHBBFKIJNLOF-UHFFFAOYSA-N 221.691 3.075 30 1 BGEF C=CC[C@H](C)C[C@H](CCC=CC)S(=O)(=O)O 2356802317 SCDIHKDXYSMCRF-RYUDHWBXSA-N 246.372 3.201 30 1 BGEF CC1(C)CCC[C@@](C)(O)[C@@H]2CC[C@]3(C)O[C@@H]3[C@@H]21 39121364 SVDSEWDVOLGHBC-FWZIUSJTSA-N 238.371 3.131 30 1 BGEF CC=CC#CC#CC=CC=CC=C[C@H](O)CCC 2356554749 XBPLQOPYICQPRZ-QGZVFWFLSA-N 240.346 3.399 30 1 BGEF CC1=CC(=O)[C@@H]2C(C)(C)CCC[C@]2(C)[C@H]1C=O 2356668593 VBPAVCXYWPAVHG-NJZAAPMLSA-N 234.339 3.163 30 1 BGEF C=C(C)[C@@H]1[C@H](O)C=C[C@@H]2CC[C@@H](C)C[C@H]21 2356792271 JNLCTWKBTBOGQR-ITGHMWBKSA-N 206.329 3.162 30 1 BGEF C=C[C@]1(C)CC[C@H]2C(=C)C(=O)O[C@@H]2[C@H]1C(=C)C 13685033 ZNTHTBBAGNVESR-SFDCQRBFSA-N 232.323 3.263 30 1 BGEF C=C1C(=O)OC2=C[C@]3(C)C=CCC(=C)[C@H]3C[C@H]12 238732567 QROHVWWVBYRBDE-JMSVASOKSA-N 228.291 3.142 30 1 BGEF CC1=CCCC(C(=O)O)=CCC(C)(C)C=CC1=O 2356526554 BPPXABXKJZPLPR-UHFFFAOYSA-N 248.322 3.279 30 1 BGEF CCCCCCCCCS[C@H](C)C(N)=O 59895267 RZYSYBMLOXBABO-LLVKDONJSA-N 231.405 3.344 30 1 BGEF Fc1cccc2nc(C#Cc3ccccc3)[nH]c12 587953720 RERPIUWUAWPQOE-UHFFFAOYSA-N 236.249 3.102 30 1 BGEF C=C[C@]1(C)CC[C@@H]2C(=C)C(=O)O[C@H]2[C@@H]1C(=C)C 2356742197 ZNTHTBBAGNVESR-QVHKTLOISA-N 232.323 3.263 30 1 BGEF CCC=CC=CC=CC=CC=NN=NO 2356754307 UNHSVZVRFBRLAW-UHFFFAOYSA-N 205.261 3.448 30 1 BGEF CC1=C[C@]23OC(C)(C)[C@H]2CC[C@H](C)C3=CC1=O 2356801985 RVWCZVFWAKZZHV-JBCWJZNQSA-N 232.323 3.036 30 1 BGEF C=C1C(=O)O[C@H]2[C@H]1CC=C(C)[C@@H]1CC=C(C)[C@H]21 1572700 QLXSYIMXIMTCOX-XUXIUFHCSA-N 230.307 3.017 30 1 BGEF C/C1=C/C(C)(C)/C=C/C(=O)[C@@H](C)CCCC1=O 14441635 NFDDZSDTJCSOCJ-STISEYFESA-N 234.339 3.473 30 1 BGEF C#CC(=O)/C=C1\CCC[C@@H](CCCCC)O1 205200365 SODAWQYBFIAKRW-MBFWDRTGSA-N 220.312 3.222 30 1 BGEF CC1=CC(=O)C([C@@]2(C)CCCC2(C)C)=CC1=O 85926404 AOCQROFLQIRDKW-OAHLLOKOSA-N 232.323 3.227 30 1 BGEF CC(=O)[C@@H]1CC(=O)C2=C(C)CC[C@@H](C(C)C)[C@@H]21 2356571651 XTEXPKPDBRKBPS-SLEUVZQESA-N 234.339 3.163 30 1 BGEF C=C(C)C1=C[C@@H](O)[C@H](C)[C@H]2CCC(C)=C[C@@H]12 238752031 PWXZKALLXDXZPK-QHSBEEBCSA-N 218.340 3.472 30 1 BGEF COc1ccc(Cl)cc1C#CC1=COCCC1 587912085 ANNIWXQOZZSZSP-UHFFFAOYSA-N 248.709 3.394 30 1 BGEF CC(C)=CCC[C@@H](C)[C@]1(O)CCC(C)=CC1=O 5662809 QCLWFRYXYGDIEZ-UKRRQHHQSA-N 236.355 3.409 30 1 BGEF biogenic C/C1=C/CC[C@@]2(C)O[C@H]2[C@@H](O)[C@H](C(C)C)CC1 238778814 KLQPHHIQARFSDE-SPJXERHISA-N 238.371 3.297 30 1 BGEF C=C1C=C[C@H](C(C)C)CC(=O)[C@]2(C=CC1)CO2 2356452505 SMKHYNZVNGXTPW-ZFWWWQNUSA-N 232.323 3.059 30 1 BGEF CCC=C(C)C1=C(C)C(=O)[C@H](C)[C@@H](C)O1 2356670646 XNIRJJUVFFMFPY-MWLCHTKSSA-N 208.301 3.241 30 1 BGEF CC(C)=CC[C@H](O)[C@H](C)[C@H]1CCC(C)=CC1=O 2356664777 HYETZUGKRWIYSQ-MCIONIFRSA-N 236.355 3.265 30 1 BGEF C=C(C)[C@@H]1CC[C@]2(C)CO[C@@]3(C)C=CO[C@@]32C1 2356665023 QZRSTGGOMXWMDX-APIJFGDWSA-N 234.339 3.441 30 1 BGEF C=C(C)[C@@H](O)CC[C@](C)(N)[C@H]1CC=C(C)CC1 13346899 TXILJXXOQXLMOA-KKUMJFAQSA-N 237.387 3.167 30 1 BGEF C=C[C@H](C)C[C@]1(C)SC(O)=C(C)C1=O 101402670 ATJXHWPZFVEADB-CPCISQLKSA-N 212.314 3.063 30 1 BGEF C=CCC(C)(C)c1nc2ccc(C#N)cc2[nH]1 587954428 UMSGYYFOTFXSLY-UHFFFAOYSA-N 225.295 3.288 30 1 BGEF CC1=C[C@@H]2C(=C(C)C)C(=O)C[C@@](C)(O)[C@@H]2CC1 2356495501 UIBWDVKGBMMWPM-YWPYICTPSA-N 234.339 3.019 30 1 BGEF CC[C@]1(C)C[C@@H]1c1nc2cccc(C#N)c2[nH]1 586886521 CIPOOQJHECUDSM-QMTHXVAHSA-N 225.295 3.338 30 1 BGEF C[C@@H]1Cc2ccccc2N1/N=C/c1ccccc1 1857579774 YSLBUQFCINNUNB-LVLBFHFTSA-N 236.318 3.472 30 1 BGEF C=CCCCC=CCC#CC#C[C@@H](O)CC 2356455882 KWLPBQVEAVSPLL-HNNXBMFYSA-N 216.324 3.067 30 1 BGEF CC(C)=CCCC(C)=C[C@@H]1C(=O)C(C)=C[C@@H]1O 2356736694 IRYFKBHIOJHFLA-KBPBESRZSA-N 234.339 3.185 30 1 BGEF CC(=O)/C=C/C1=C(C)C(=O)C[C@@H](C)C1(C)C 14557310 KEIPKMLOEISKCN-XCODYQFDSA-N 220.312 3.083 30 1 BGEF CCCCCCC=CC=CC[C@H](O)[C@H](C)N 2356518417 PPIVUDKXEACPOL-KBPBESRZSA-N 225.376 3.167 30 1 BGEF CC=CC#CC#CCC=CCCCCCCO 2356559492 FKQPPSYHQHKIAV-UHFFFAOYSA-N 230.351 3.458 30 1 BGEF C=C(C)C#C[C@@H](Cc1ccccc1)NCC1CC1 203471433 WVARLNDMVIIWIB-KRWDZBQOSA-N 239.362 3.177 30 3 BGEF C=C[C@@](C)(O)CC/C=C(/C)C/C=C/C(C)(C)O 15213437 WPGYCMWKXXCJMW-ZLQOZFDASA-N 238.371 3.367 30 1 BGEF endogenous,in-man C(=N\Nc1ncnc2ccccc12)\c1ccccc1 32210548 USQZQVMBYROFJP-ZDLGFXPLSA-N 248.289 3.076 30 1 BGEF C/C1=C/CC(C)(C)/C=C\[C@H](O)[C@@]2(C)O[C@H]2CC1 169369247 AXNPQOVZRSRGEF-IJPJSMHBSA-N 236.355 3.217 30 1 BGEF CC(C)c1[nH]c2cc([N+](=O)[O-])ccc2c1C#N 587647291 UVDBOGZMTDOHHJ-UHFFFAOYSA-N 229.239 3.071 30 1 BGEF CCCc1cc(-c2cccc(C)c2)nc(C#N)n1 49037036 LWTLVKKUNGVFHE-UHFFFAOYSA-N 237.306 3.276 30 1 BGEF in-vivo C=CC(C)(C)c1nc2cc(C)cc(F)c2[nH]1 587954080 BFNVTJSVTUJAAJ-UHFFFAOYSA-N 218.275 3.474 30 1 BGEF N#Cc1ccc(NC=CC(=O)c2ccccc2)cc1 2356341818 XPYCJPSKQBJAMV-UHFFFAOYSA-N 248.285 3.367 30 1 BGEF C=C1CC(=O)C(=C(C)C)C[C@H]2[C@H]1CC[C@@]2(C)O 95619485 ITIGZFMSPAFZAE-CORIIIEPSA-N 234.339 3.019 30 1 BGEF endogenous,in-man CCO/C(O)=C1\CSC\C1=N/c1ccccc1 103052043 ISVQHQAODOLWFD-PHEQNACWSA-N 249.335 3.312 30 1 BGEF C=CCC(C)(C)c1nc2cc3c(cc2[nH]1)OCO3 587954422 UATXNKZKJMXSIW-UHFFFAOYSA-N 244.294 3.145 30 1 BGEF CC(C)=CC#CC(C)=CCCC1=CC(=O)OC1 2356534186 XQDXHWGAGHZLNI-UHFFFAOYSA-N 230.307 3.166 30 1 BGEF C=C(C)CC[C@H]1C=[N+]([O-])OC(C)(C)C1(C)C 5853561 JNUDGLGROMDYQN-NSHDSACASA-N 225.332 3.290 30 1 BGEF C=C(CC(=O)N(C)O)c1ccc2ccccc2c1 28113286 OQRFRXNQJYRVBT-UHFFFAOYSA-N 241.290 3.091 30 1 BGEF N#Cc1c(-c2ccco2)[nH]c2cccc(F)c12 587634712 BZPJKZQUPFWMLS-UHFFFAOYSA-N 226.210 3.439 30 1 BGEF CCCCCCC=CC=CC[C@H](O)[C@@H](C)N 2356518418 PPIVUDKXEACPOL-KGLIPLIRSA-N 225.376 3.167 30 1 BGEF C#C[C@@H]1CC[C@]2(C)C=CC[C@@H](COC(C)=O)[C@H]2C1 13385357 KMMNDPPHHXBLCB-QXSJWSMHSA-N 246.350 3.181 30 1 BGEF biogenic CC(C)=CCC[C@H](C)[C@@]12CC[C@]3(C)O[C@@H]3[C@@H]1O2 84653180 FYNIKLSMJBFXBX-AICCOOGYSA-N 236.355 3.458 30 1 BGEF CC(C)CCCCCCC/C=C\C(=O)NO 263614942 YXYPSYDCUBSOOB-LUAWRHEFSA-N 227.348 3.435 30 1 BGEF in-vitro O=C(C=CNCc1ccccc1)c1ccccc1 2356315536 IVRRMSTXQCAAKY-UHFFFAOYSA-N 237.302 3.173 30 1 BGEF CCCN(CC)[C@H]1CCC2=C(CCCC2=O)C1 13973966 TZEGNEPVLMOQPG-ZDUSSCGKSA-N 235.371 3.320 30 1 BGEF C=C1CC/C=C(\C)CC(=O)C(=C(C)C)C[C@H]1O 14453701 XAEWJBWSIZVXNK-JBNJFFQFSA-N 234.339 3.329 30 1 BGEF O=C(Nc1cccc(Cl)c1)OC#CCl 49051989 GFLLVYRXJSWRPW-UHFFFAOYSA-N 230.050 3.046 30 1 BGEF O=C(NO)c1ccc2c(ccc3ccccc32)c1 28110230 ADTGPCGDULHFEP-UHFFFAOYSA-N 237.258 3.112 30 1 BGEF in-vivo c1cc(/N=C2/NCCO2)cc(C2CCCCC2)c1 40413247 HNMBZEFHXDMRIO-UHFFFAOYSA-N 244.338 3.342 30 1 BGEF CC(C)CC1=C(C(=O)c2ccoc2)C(=O)[C@H](C)C1 140454538 YUPNXZJXDREVDT-SNVBAGLBSA-N 246.306 3.414 30 1 BGEF CC1=CCC[C@]2(C)O[C@@H]2CC(C)(C)C=CC1=O 2356733773 UXYYOHOTPOQJPD-HIFRSBDPSA-N 234.339 3.426 30 1 BGEF C=C1CCC2=C(C)C=C3OC(=O)C(C)=C3C[C@H]12 2356792283 JNSZSIQUUGIMEO-GFCCVEGCSA-N 228.291 3.430 30 1 BGEF C=C1CCC[C@@]2(C)C=C3NC(=O)C(C)=C3C[C@@H]12 13374156 RXTVBISZHPGQKT-WFASDCNBSA-N 229.323 3.083 30 1 BGEF biogenic C=C(C)[C@@H]1CC[C@@]2(C)CC[C@H](O)[C@@]3(C)O[C@@]23C1 85757123 AXKKANUAFIGTQI-FQKPHLNHSA-N 236.355 3.051 30 1 BGEF in-man C/C=C/C=C/C#C/C=C/C=C/CCOC(C)=O 238779370 OWDPPOSRJGPGQY-ZRIKKMCISA-N 230.307 3.188 30 1 BGEF C=C1CC[C@@H](C(C)(C)O)C=C[C@H](C)CCC1=O 2356554216 RJCCYTWCDOEWGM-AAEUAGOBSA-N 236.355 3.265 30 1 BGEF CC(=O)/C=C\C=C\C=C\C=C\c1cccnc1 238741177 MJNYHZWCFFQCRW-KKRXSIFQSA-N 225.291 3.352 30 1 BGEF C=C(C)C1=C[C@H](O)[C@H](C)[C@H]2CCC(C)=C[C@@H]12 2356463880 PWXZKALLXDXZPK-GBOPCIDUSA-N 218.340 3.472 30 1 BGEF C[C@H]1C(=O)C=CN2c3ccc(Cl)cc3CC[C@@H]12 3950302 VKAGNHCBASQZNC-SKDRFNHKSA-N 247.725 3.194 30 1 BGEF CC1=C/C(=N\C(C)C)c2ccccc2C1=O 45299333 RDPKFQFAMQRHBW-FYWRMAATSA-N 213.280 3.027 30 1 BGEF CC1=C2[C@H](O)[C@H](C(C)C)CC[C@]2(C)CCC1=O 14452636 RAKDEZGVSLSJSS-NILFDRSVSA-N 236.355 3.099 30 1 BGEF biogenic C=CCOc1ccc(OCC)cc1CC=C 98085630 ZTPJZMVFCKMMTC-UHFFFAOYSA-N 218.296 3.379 30 1 BGEF CCC[C@H](O)CC(=O)/C=C/c1ccc(C)c(C)c1 1911571268 CPTVNUWRKZBMIW-HVHJFMEUSA-N 246.350 3.437 30 1 BGEF