smiles zinc_id inchikey mwt logp reactive purchasable tranche_name features N#Cc1ccc(/C=C2/C=Cc3ccccc32)cc1 1668007 WYRSEGHRHYPFFS-WJDWOHSUSA-N 229.282 4.126 30 1 BIEF CCCCCCCCC/C=C\C=C\CO 140530817 HJORIHUMUYKCDQ-JPYSRSMKSA-N 210.361 4.232 30 1 BIEF CCCCCCCC/C=C/C=C/CC(=O)O 62238054 YRUMHTHCEZRHTN-HULFFUFUSA-N 224.344 4.324 30 1 BIEF in-vitro,metabolite CCC=C[C@H](CC)CC(C)=CC(=O)CC 2356762484 ADALNYBEFSIJHR-ZDUSSCGKSA-N 208.345 4.294 30 1 BIEF CCCCC#Cc1nc2ccccc2n2cccc12 28642388 ORMRNPXGDJISRB-UHFFFAOYSA-N 248.329 4.029 30 1 BIEF C=C1C=C[C@H]2[C@@H]3[C@@H](C(C)C)CC[C@@]2(C)[C@H]13 85491400 ADVJSMBYHNLAGK-GZBLMMOJSA-N 202.341 4.047 30 1 BIEF biogenic,in-vitro CC(=O)C(C)=CC=CC=CC=Cc1ccccc1 2356378697 TZVBCIJULAXOAZ-UHFFFAOYSA-N 238.330 4.348 30 1 BIEF CC1=CC(=O)C[C@]2(C)CCC(=C(C)C)C[C@H]12 15207407 SVQMAXHCMOZBSF-CABCVRRESA-N 218.340 4.048 30 1 BIEF endogenous,in-man Cc1cc(O)ccc1/N=C1/C=C(O)CC(C)(C)C1 102728180 RZHLYGUWGFDQHT-WJDWOHSUSA-N 245.322 4.035 30 1 BIEF C#CC/C=C/C/C=C\C/C=C\C/C=C\C 238742696 ARCMPTSGGFWPHN-LQZTYCABSA-N 200.325 4.425 30 1 BIEF CC1=CC[C@H](C(C)=CC(=O)CC(C)C)CC1 2356630730 BLAZWOWQAGJDIR-AWEZNQCLSA-N 220.356 4.294 30 1 BIEF CC(C)=CCC[C@@H](C)[C@H]1CC=C(C)C(=O)C1 2356352373 RXQJYYWBIOOIKD-OCCSQVGLSA-N 220.356 4.294 30 1 BIEF CCCCCCC=CCCCCCCN 2356432785 MTUWTJGXAHFTPF-UHFFFAOYSA-N 211.393 4.422 30 1 BIEF C=C[C@@](C)(O)CCC=C(C)CC=CC(=C)C 2356521361 UNWOAULNQCFIRQ-OAHLLOKOSA-N 220.356 4.172 30 1 BIEF C=C1CC[C@@]23[C@H]1[C@H]2[C@H](C(C)C)CC[C@H]3C 101087931 FSRZGYRCMPZNJF-XLWJZTARSA-N 204.357 4.271 30 1 BIEF CCCCCCCCCc1cccc(O)c1C=O 113214167 OWBVGHGQUMHBML-UHFFFAOYSA-N 248.366 4.498 30 1 BIEF C=C1CC/C=C(\C)CC[C@H](C(=C)C)C[C@@H]1O 140453645 FCDRTOJMUHXAJJ-GXZKXHAVSA-N 220.356 4.006 30 1 BIEF C=C1CC[C@H]2[C@@H]1CC(C)(C)C[C@@H]1C[C@]21C 136973095 WXGMXZIDGRJJPK-CXTNEJHOSA-N 204.357 4.415 30 1 BIEF C=CC(C)=CCC(C)(C)C(=NO)C(C)C 2356285450 MEJYWDUBOCZFFS-UHFFFAOYSA-N 209.333 4.021 30 1 BIEF CC1=CCC=C(C)CC(=O)C(=C(C)C)CC1 2356628483 VFQUTODDWOXXJK-UHFFFAOYSA-N 218.340 4.359 30 1 BIEF C=C(CO)[C@@H]1CC=C(C)CCC=C(C)CC1 2356545689 NDZJCEAHBZKIDU-HNNXBMFYSA-N 220.356 4.008 30 1 BIEF C/C1=C/CC/C(C)=C/CC(C)(C)[C@@H](C#N)CC1=O 136731153 GFOSUVFAUICCJZ-INBVWMRHSA-N 245.366 4.188 30 1 BIEF C=C1[C@H](C)CCC[C@@]1(C)CCC(=O)C(C)C 14772490 YXODHUFGDCZHSC-DOMZBBRYSA-N 222.372 4.374 30 1 BIEF biogenic C=C1CC[C@@H]2[C@@H]([C@@H]3[C@H](C)CC[C@@H]13)C2(C)C 100780036 ITYNGVSTWVVPIC-ITGHMWBKSA-N 204.357 4.271 30 1 BIEF endogenous,in-man C=CC(C)(C)c1nc2cc3ccccc3cc2[nH]1 587955157 KUSFXFCCRPTPPN-UHFFFAOYSA-N 236.318 4.180 30 1 BIEF CC(C)=CC(=O)CC(C)=C1CC=C(C)CC1 2356329032 QEAHSEZXAQIWSW-UHFFFAOYSA-N 218.340 4.359 30 1 BIEF C=C1[C@H]2CC[C@@H](C2)[C@@H]2C[C@H](C(C)C)C[C@@H]12 2356582213 DFUVGLKCFAASAU-RMEBNNNOSA-N 204.357 4.271 30 1 BIEF C/C1=C\CC(C)(C)/C=C/C[C@]2(C)O[C@H]2CC1 13298601 QTGAEXCCAPTGLB-XWWBPOOSSA-N 220.356 4.247 30 1 BIEF biogenic,in-vitro C=C(C)CCC[C@@H](C)[C@@]1(O)CC=C(C)CC1 13377393 UZUXPANAZFDWJO-HUUCEWRRSA-N 222.372 4.230 30 1 BIEF biogenic CC1(C)CCC[C@]2(C)C1=CC(=O)[C@H]2c1ccoc1 36439775 UTPUUMJKPXKHMY-GDBMZVCRSA-N 244.334 4.089 30 1 BIEF C=C1C=CCC(C)(C)[C@H]1CCc1ccoc1 14638731 PZLACPJFKRARJT-AWEZNQCLSA-N 216.324 4.371 30 1 BIEF biogenic C=CC[C@@H](Nc1ccc(C)cc1)c1ccco1 29058717 GKYLPXRTBYSMLR-CQSZACIVSA-N 227.307 4.317 30 1 BIEF C#CC#CC#CCC=CCCCCCCC=C 2356718010 IPBUQXVIRAJVIC-UHFFFAOYSA-N 224.347 4.099 30 1 BIEF CC1=CC[C@@]2(CC1)C(=C(C)C)C(=O)C[C@@H]2C 13307500 ZZDZYXINURVBJN-WFASDCNBSA-N 218.340 4.048 30 1 BIEF biogenic C=CCC[C@H](c1ccc(C(=O)O)cc1)C(C)C 15122215 KLVTYTKUZOEOKS-AWEZNQCLSA-N 232.323 4.091 30 1 BIEF biogenic C=C1CC[C@H]2[C@H](CC[C@]3(C)[C@H](O)CC[C@H]23)C1(C)C 169312401 HKMSOXFYCYBRLW-XGYYKPKNSA-N 248.410 4.166 30 1 BIEF C=CCCCCCC/C=C\CCCCO 218414676 PDVOQGIVYBGHCJ-KTKRTIGZSA-N 210.361 4.232 30 1 BIEF C=C1CC[C@@H]2C(C)=Cc3occ(C)c3C[C@@H]12 2356634795 OBTNEYCNZNYGEG-OLZOCXBDSA-N 214.308 4.130 30 1 BIEF C=C1CCC/C(C)=C/Cc2c(C)coc2C1 15160640 LERPGQQOFGFUDQ-YRNVUSSQSA-N 216.324 4.359 30 1 BIEF CCCCCCCCCOC(=O)[C@H](C)CC 136872182 GPHARSQCLGLBRV-CYBMUJFWSA-N 228.376 4.326 30 1 BIEF CCCCCCCC=CCC#CC#C[C@@H](O)CC 2356419375 PROIGOAKZLZHQV-KRWDZBQOSA-N 246.394 4.071 30 1 BIEF C/C1=C/CC[C@@]2(C)O[C@H]2CC(C)(C)/C=C\C1 15161366 RKQDKXOBRXTSFS-LBMBPFPASA-N 220.356 4.247 30 1 BIEF endogenous,in-man CCCCCCC[C@@H](O)C[C@@H](O)CCCCC 43380031 XASHDJKQKGFGOI-LSDHHAIUSA-N 244.419 4.039 30 1 BIEF C=CCOc1ccccc1/C=C/c1ccccc1 39150930 CXWYHCHORRCWAO-OUKQBFOZSA-N 236.314 4.422 30 1 BIEF C=C(Br)C(=C)CCC=C(C)C 85856514 CIUZFTFTYDBZIT-UHFFFAOYSA-N 215.134 4.198 30 1 BIEF CCC=CC=CC=CC=CCCCCC=O 2356582860 ZSDGTOPNWLXOHV-UHFFFAOYSA-N 218.340 4.381 30 1 BIEF CC(C)=C1CC2=C(C)CC[C@@H]2[C@@H](C)CC1=O 15264611 KOBSLTSXWKEUCB-NWDGAFQWSA-N 218.340 4.048 30 1 BIEF endogenous,in-man CC/C=C/C=C\C=C/CCCCCC=O 238785490 ABHMXTQMQYXWML-SOGAIITOSA-N 206.329 4.214 30 1 BIEF N#Cc1c(C2CCCCC2)[nH]c2cc(F)ccc12 587634647 AHKNHTPNEYZMQB-UHFFFAOYSA-N 242.297 4.226 30 1 BIEF C=CCCCCC=CC=CC#CC#CC=CC 2356751949 ZJZNMXVJKYOSGJ-UHFFFAOYSA-N 224.347 4.428 30 1 BIEF C=C1CC[C@H]2[C@@H]([C@@H]3[C@@H](C)CC[C@@H]13)C2(C)C 70454223 ITYNGVSTWVVPIC-YHQUGGNUSA-N 204.357 4.271 30 1 BIEF biogenic,in-man C=C(C)[C@H]1[C@H]2[C@@H](C)CC[C@H]3[C@H](C)CC[C@]312 100825783 ZNVSGENNKBLLJB-DBWOOVFOSA-N 204.357 4.271 30 1 BIEF endogenous,in-man C=N[C@]1(C(C)C)CC2[C@]3(C)CC[C@]2(C)CC1C3 238782366 VRULTZJTKVBCDC-PEHJNBARSA-N 233.399 4.318 30 1 BIEF C=CCCCCCC(=O)CCC#CC#CC=CC 2356663178 XADNQMILXIIQET-UHFFFAOYSA-N 242.362 4.055 30 1 BIEF C=C1CC[C@@H]2[C@@H](CC[C@]3(C)[C@@H](O)CC[C@H]23)C1(C)C 29477907 HKMSOXFYCYBRLW-NPCUJANDSA-N 248.410 4.166 30 1 BIEF C=CCCCCC=CC=CC#CC=C[C@@H](O)CC 2356408995 VENWOJFVDBLZQM-KRWDZBQOSA-N 244.378 4.176 30 1 BIEF CCCCCCCC=CCC#CC#C[C@H](O)CC 2356419376 PROIGOAKZLZHQV-QGZVFWFLSA-N 246.394 4.071 30 1 BIEF C=C1CCC[C@H](C)C=C[C@@H](C(=C)C)C(=O)C1 2356793654 HJXPPNYEHQHFNM-JSGCOSHPSA-N 218.340 4.070 30 1 BIEF C=C1[C@H](C)CC[C@@]1(C)c1ccc(C)cc1 136730804 GNMHNQCPVMMUJU-IUODEOHRSA-N 200.325 4.239 30 1 BIEF C=C1CC[C@H](C)[C@]2(C)C[C@H]3[C@H]4C[C@@]12C[C@@]34C 263638226 SQNCNPSIELBAFJ-OVSZIMMFSA-N 216.368 4.415 30 1 BIEF Cc1cc(Cl)cc2c(C#N)c([C@H]3C[C@@H]3C)[nH]c12 587624439 JKZFDAYOIOWVQM-XVKPBYJWSA-N 244.725 4.125 30 1 BIEF C=C1C=C[C@@H]([C@H](C)CC(=O)C=C(C)C)CC1 3645383 JIJQKFPGBBEJNF-ZIAGYGMSSA-N 218.340 4.070 30 1 BIEF endogenous,in-man C=C(C)[C@@H](CC=C(C)C)COC(=O)[C@H](C)CC 85996117 WBUQEUATHWMFQO-KGLIPLIRSA-N 238.371 4.124 30 1 BIEF C=C1CCC[C@@H]2CCC[C@@H]3[C@@H]([C@H]12)C3(C)C 2356711873 DWDYZEGXLHAWQJ-SYQHCUMBSA-N 204.357 4.415 30 1 BIEF C=C1C[C@H](C=C(C)C)O[C@@]12CC=C(C)CC2 2356707007 DMWIBWPAOJKKQP-LSDHHAIUSA-N 218.340 4.167 30 1 BIEF C=C[C@@](C)(O)CC[C@@H]1C(C)=CCC(C)=C1C 14593869 SUODWVXBHOBXFQ-HUUCEWRRSA-N 220.356 4.006 30 1 BIEF biogenic C=CCCCCC=CC=CC#CC=CC(=O)C=C 2356621598 JGTUTFWHNIOOOC-UHFFFAOYSA-N 240.346 4.160 30 1 BIEF CCCCCCCCCC(=O)SC 56871191 ZEBQAJHDEMWJOU-UHFFFAOYSA-N 202.363 4.017 30 1 BIEF C=C[C@](C)(O)CC[C@]1(C)C(C)=CCC[C@H]1C 14717451 QDCZYOGIXLTGNL-QLFBSQMISA-N 222.372 4.086 30 1 BIEF biogenic C=C1C=C[C@]2(C)C[C@H]1[C@]1(C)CCC[C@]21C 196102150 JRVADZCIHISZKL-APIJFGDWSA-N 202.341 4.335 30 1 BIEF C=CCCC[C@@H]1CCC[C@@H](CCCC=C)N1 15121881 AFBIHOXBWUXQRS-HUUCEWRRSA-N 221.388 4.210 30 1 BIEF biogenic CC(C)=CCC[C@@H](C)[C@@H]1CC=C(C)C(=O)C1 2356352374 RXQJYYWBIOOIKD-TZMCWYRMSA-N 220.356 4.294 30 1 BIEF C=N[C@]1(C)CC[C@@H]2C(C)=CC[C@@H](C(C)C)[C@H]2C1 2356463792 NCFGNZFSMBNYFG-ZJIFWQFVSA-N 233.399 4.484 30 1 BIEF C=C[C@H](O)C#CCC=CC=CCCCCCCC 2356686566 KKAHGGJBKUXDNQ-KRWDZBQOSA-N 246.394 4.400 30 1 BIEF C=C1C[C@@H](C=C(C)C)O[C@@]12CC=C(C)CC2 2356707005 DMWIBWPAOJKKQP-HUUCEWRRSA-N 218.340 4.167 30 1 BIEF C=C1CC[C@@H]2[C@H]([C@H]3C(C)=CC[C@@H]13)C2(C)C 257432960 HDUMORZKKNOYSS-RFQIPJPRSA-N 202.341 4.191 30 1 BIEF endogenous,in-man CCC[C@@H](C)c1[nH]c2cccc(F)c2c1C#N 587635404 KPKNPGLMDQYHRN-SECBINFHSA-N 230.286 4.082 30 1 BIEF C=C1CC[C@@H]2[C@@H]([C@H]3[C@@H]1CC[C@H]3C)C2(C)C 49757401 ITYNGVSTWVVPIC-KSTCHIGDSA-N 204.357 4.271 30 1 BIEF endogenous,in-man C=C(CCC(C)=CCCC(C)=O)C(C)C 2356520996 GVHYGHSXSIDTDI-UHFFFAOYSA-N 208.345 4.294 30 1 BIEF C=CCCCCC=CC=CC#CC=C[C@H](O)CC 2356408996 VENWOJFVDBLZQM-QGZVFWFLSA-N 244.378 4.176 30 1 BIEF C=C1C=C(Cc2ccoc2)[C@@H](C(C)C)CC1 14638704 KRTIKWUQGOJDNI-OAHLLOKOSA-N 216.324 4.371 30 1 BIEF biogenic O=C(/C=C/c1ccc2ccccc2c1)c1ccc[nH]1 73198543 VLQSKWNBOIHXDX-CSKARUKUSA-N 247.297 4.064 30 1 BIEF CC(C)=C1CC2=C(CC[C@H]2C)[C@@H](C)CC1=O 15264544 WJQUHMZHLUTNPJ-MNOVXSKESA-N 218.340 4.048 30 1 BIEF endogenous,in-man CCCCCCCCCC(=O)[C@H](S)CC 73156097 JBRKLUJOQYHLTP-CYBMUJFWSA-N 230.417 4.405 30 1 BIEF C=C1CCCC(C)(C)[C@H]1/C=C/C(C)=C\C(=O)OC 238738646 TYRVLSBKPUMSQP-WWUGDVMJSA-N 248.366 4.044 30 1 BIEF C/C1=C/CC/C(C)=C/CC(C)(C)/C=C\C1=O 31356858 GIHNTRQPEMKFKO-KVKACAONSA-N 218.340 4.214 30 1 BIEF C=C[C@](C)(O)CCC[C@H](C)CCC=C(C)C 13538753 NZWVRMHQZPQHLI-CABCVRRESA-N 224.388 4.476 30 1 BIEF biogenic CCCC[C@@H](C#N)c1ccc(Cl)cc1F 95873007 FRWVGROGVAWBPM-VIFPVBQESA-N 225.694 4.276 30 1 BIEF C#CCCCCCCCCC[C@@H](C)OC 238756284 SKUMUKZYAQNRDI-CQSZACIVSA-N 210.361 4.165 30 1 BIEF C=C1[C@H]2[C@@H]3CC[C@@H]1[C@]3(C)CCCC2(C)C 102945348 OYBHJKDJMRMSLX-ABHRYQDASA-N 204.357 4.415 30 1 BIEF C=C1CC[C@@H]2[C@H]([C@@H]3C(C)=CC[C@H]13)C2(C)C 257432959 HDUMORZKKNOYSS-AAVRWANBSA-N 202.341 4.191 30 1 BIEF endogenous,in-man CCCCCCCc1cc2ccccc2c(=O)o1 8682225 DFVPDFCDMNLMNP-UHFFFAOYSA-N 244.334 4.306 30 1 BIEF C=C1CC[C@@H]2C(C)(C)CCC[C@]2(C)[C@H]1CC=O 34239672 BFWKKBSHTOEBHL-SQWLQELKSA-N 234.383 4.374 30 1 BIEF C=C[C@]1(C)CC[C@H]2C(C)(C)CCC[C@@]2(C)O1 13383090 GRDWJTGVDHHNNH-NWANDNLSSA-N 222.372 4.327 30 1 BIEF biogenic C=CCCCCC/C=C/C=C\CCCO 238746332 BMUOQNDSVXIXIV-OCBXPSTGSA-N 208.345 4.008 30 1 BIEF C=C1CCC[C@@H](C)C=C[C@H](C(=C)C)C(=O)C1 2356793656 HJXPPNYEHQHFNM-TZMCWYRMSA-N 218.340 4.070 30 1 BIEF C=C1CC[C@H]2[C@H]1[C@@H]1[C@@H](CC[C@H]2C)C1(C)C 2356713439 IRCZVRWQUNZGSH-KVRLPLMBSA-N 204.357 4.271 30 1 BIEF C=C[C@@](C)(O)CC[C@H]1C(C)=CCC(C)=C1C 14593868 SUODWVXBHOBXFQ-LSDHHAIUSA-N 220.356 4.006 30 1 BIEF biogenic C=C[C@]1(C)CC[C@H](/C(C)=C/CC=C(C)C)O1 59727226 SADCLHOFZYXXAL-IVBVFNMWSA-N 220.356 4.413 30 1 BIEF CCCCCCC/C=C/C=C/C(=O)N1CCCC1 85659386 UAIYHWLHQSKQLW-PEGOPYGQSA-N 249.398 4.082 30 1 BIEF endogenous,in-man C=C1CC[C@H](C)[C@@]2(C)CC[C@@H]([C@@H](O)C(C)C)[C@H]12 238788614 KJYGASCDMVYJAW-XFIYOXNOSA-N 236.399 4.022 30 1 BIEF N#C[C@H](F)c1ccc(-c2ccc(F)cc2)c(F)c1 71329418 RWRSKDMTLJJNPT-AWEZNQCLSA-N 247.219 4.166 30 1 BIEF C=C1[C@H]2CC[C@](C=O)(C2)[C@]1(C)C1CCCCC1 85546695 JCRWOQXUQIVJIW-CWRNSKLLSA-N 232.367 4.128 30 1 BIEF biogenic,in-vitro C/C1=C/C(=O)[C@@H](C(C)C)CC/C(C)=C\CC1 100781853 RESNWHKKMVJDFA-OKOUVMDFSA-N 220.356 4.294 30 1 BIEF endogenous,in-man C=C(C)[C@H]1C/C=C(\C)CC/C=C(\C)[C@@H](O)C1 205003320 TUSSVJOOGSTKCR-KLGJBKTHSA-N 220.356 4.006 30 1 BIEF C=C1CC[C@@H]2[C@H]1[C@H]1[C@@H](C(C)C)CC[C@]21C 100826374 YIRAHEODBQONHI-UXXRCYHCSA-N 204.357 4.271 30 1 BIEF endogenous,in-man CC(C=Cc1ccccc1)=NNc1ccccc1 2356711788 ZIKCEPRFGILSQT-UHFFFAOYSA-N 236.318 4.188 30 1 BIEF CC1(C)CCCC2=C1CC[C@@](C)(CC=O)C2 14612139 XOIZOXQRSWVEQK-HNNXBMFYSA-N 220.356 4.272 30 1 BIEF biogenic C/C(=N\c1nc2ccccc2[nH]1)c1cccc(C)c1 66111752 OTQPYWLHVQJGFI-SFQUDFHCSA-N 249.317 4.012 30 1 BIEF CCCCCCCCN1Cc2ccccc2C1=O 73165406 CDGHMDUGQDDPSC-UHFFFAOYSA-N 245.366 4.003 30 1 BIEF C/C1=C/CC[C@]2(C)O[C@@H]2CC(C)(C)/C=C\C1 15161364 RKQDKXOBRXTSFS-KDYBSOQRSA-N 220.356 4.247 30 1 BIEF endogenous,in-man CCCCCCC[C@H](O)C[C@H](O)CCCCC 43380026 XASHDJKQKGFGOI-CABCVRRESA-N 244.419 4.039 30 1 BIEF CC1=C[C@H]2O[C@@H]2C(C)=CCC(C)(C)C=CC1 2356330937 CURDSHVMYFYNIX-ZIAGYGMSSA-N 218.340 4.023 30 1 BIEF Fc1ccc(/N=C/c2cccs2)cc1Cl 575501 KPGVOKRXVPQSOJ-VGOFMYFVSA-N 239.702 4.291 30 1 BIEF C=C(CCC=C(C)C)[C@H]1CC=C(CO)CC1 13377608 AWXTUFPUJSQYGO-HNNXBMFYSA-N 220.356 4.008 30 1 BIEF biogenic CC(=O)/C=C/C(C)=C(\C)c1c[nH]c2ccccc12 14517497 XYPNIPPMKPLGOZ-VKTMSVCMSA-N 239.318 4.107 30 1 BIEF C#CCCCC(=O)c1coc2ccc(Cl)cc12 587276155 LIEUHCFOVGJCSB-UHFFFAOYSA-N 246.693 4.072 30 1 BIEF CC=CC#CCC=CCCCCCC(C)=O 2356470971 MTRMYFQVGGDQQK-UHFFFAOYSA-N 218.340 4.052 30 1 BIEF CC1=CCC(C)(C)C=CC(=O)[C@H](C)CCC1 2356471836 AVAUYZGSANWIET-CYBMUJFWSA-N 220.356 4.294 30 1 BIEF CCCCCCCCC=CC=CCCO 2356514469 GWWPQBNGOIHGBF-UHFFFAOYSA-N 210.361 4.232 30 1 BIEF C=C1CC[C@H](O)/C(C)=C\CCC(C)(C)CC1 33951365 PAGSXLWQSGUSAH-XMRSSTEGSA-N 222.372 4.230 30 1 BIEF CCCC#C/C=C/CCCCCCCCCO 58649629 CVGZIQCJXLSQQU-VOTSOKGWSA-N 236.399 4.459 30 1 BIEF in-vitro C=C(C)[C@@H]1CCC[C@]2(C)O[C@]23CC[C@H](C)[C@H]3C1 2356364649 ZOSBJLACINPYIM-OTJKEOIZSA-N 234.383 4.327 30 1 BIEF C=C(C)[C@@H]1CCCC(C(=O)O)=C2CC[C@@H](C)[C@@H]2C1 2356404650 TUBOXLVGLLONIH-JMSVASOKSA-N 248.366 4.180 30 1 BIEF C=C1C/C=C/C(C)(C)C/C=C(\C)CC[C@H]1O 205304793 ZHCPVYWHSOILQL-YCXLUOKISA-N 220.356 4.006 30 1 BIEF C=C(CC)CC#Cc1cc(Cl)ccc1OC 587898814 RBNJLDQELYZMEM-UHFFFAOYSA-N 234.726 4.056 30 1 BIEF CC(C)=C1CC2=C(CC[C@@H]2C)[C@H](C)CC1=O 15264551 WJQUHMZHLUTNPJ-WDEREUQCSA-N 218.340 4.048 30 1 BIEF endogenous,in-man Cc1c(-c2ccccc2)ccc2[nH]cc(CC#N)c12 45303201 UBBYGPKQJSYHGA-UHFFFAOYSA-N 246.313 4.209 30 1 BIEF CC1=CC[C@@H](C(C)=CC(=O)CC(C)C)CC1 2356630731 BLAZWOWQAGJDIR-CQSZACIVSA-N 220.356 4.294 30 1 BIEF N#C[C@@H](F)c1ccc(-c2ccccc2)c(F)c1 71316241 SNWSANRMCLPWDT-CQSZACIVSA-N 229.229 4.027 30 1 BIEF C=CC=CC=CCCCCCCCC=O 2356465825 JABQZEDFZXKPOY-UHFFFAOYSA-N 206.329 4.214 30 1 BIEF CCCCCCC[C@H](C)CC[C@@H](C)C(=O)O 85642741 ABQDDNHUZOOWMZ-QWHCGFSZSA-N 228.376 4.484 30 1 BIEF C=CCC[C@](C)(O)/C=C(\C)CCC=C(C)C 95486148 GPZBHLFXJRAHLQ-ZQHYZAEZSA-N 222.372 4.396 30 1 BIEF biogenic,in-vitro CCc1[nH]c2ccc([C@H](C)CC)cc2c1C#N 587640388 CQFRIKNBYBZBTE-SNVBAGLBSA-N 226.323 4.115 30 1 BIEF C=C1CCC=C(C)CC[C@@H]2[C@H]([C@@H]1OC)C2(C)C 2356690622 FBVPCRFFPHHGLA-RBSFLKMASA-N 234.383 4.350 30 1 BIEF CC1=CC[C@@]2(CC1)C(C)=CC(=O)CC2(C)C 13385801 SNJATGMAHZJTNR-OAHLLOKOSA-N 218.340 4.048 30 1 BIEF biogenic,in-vitro C=CCOc1ccc(Oc2ccccc2)cc1 29328454 NAYOLUZVOCYYFZ-UHFFFAOYSA-N 226.275 4.044 30 1 BIEF C=C[C@]1(C)CC[C@H]2[C@H]([C@@H]1C(=C)C)C2(C)C 104374605 LKQMMFFQYMYQOJ-RMRHIDDWSA-N 204.357 4.437 30 1 BIEF in-man C=C(CCC=C(C)CCC=C(C)C)[C@H]1CO1 2356639181 HNYSBTOKKSTMIG-OAHLLOKOSA-N 220.356 4.414 30 1 BIEF C=C1CCCC(C)(C)[C@H]1CCC(C)=CC(=O)O 2356866590 WGEZRSYMRXPKPN-ZDUSSCGKSA-N 236.355 4.180 30 1 BIEF Cc1ccc2ccc(-c3ccccc3C#N)cc2n1 28823061 MUNVAMLSVBEAIR-UHFFFAOYSA-N 244.297 4.082 30 1 BIEF in-vivo C=C1CC[C@@]23C[C@@H]1C(C)(C)[C@@H]2CC[C@@H]3C 85490133 DYLPEFGBWGEFBB-ABHRYQDASA-N 204.357 4.415 30 1 BIEF biogenic,in-vitro C=C(C)[C@@H]1CCC(=O)C(C)=C2CC[C@@H](C)[C@H]2C1 2356351601 AXHSUILLDJSUJT-UXIGCNINSA-N 232.367 4.294 30 1 BIEF CCCCCCC=CCCCCOC(C)=O 2356526655 FOEWNRTZASNZJY-UHFFFAOYSA-N 226.360 4.246 30 1 BIEF C=C(C)[C@@H]1CCCC(CO)=C2CC[C@@H](C)[C@@H]2C1 2356728880 WPAXVOMEFNGZLT-IOASZLSFSA-N 234.383 4.088 30 1 BIEF C=C(C)c1ccc(C)c2c1C[C@H](C)CC2 2356420771 MTLDDAGRHDNHGQ-LLVKDONJSA-N 200.325 4.153 30 1 BIEF CC1=CCCC(=O)C=CC(C)(C)CCC1 2356675042 DSPDFJOUMGPCOG-UHFFFAOYSA-N 206.329 4.048 30 1 BIEF C=C[C@]1(C)CC[C@@H]2C(C)(C)CCC[C@@]2(C)O1 13383088 GRDWJTGVDHHNNH-BPLDGKMQSA-N 222.372 4.327 30 1 BIEF biogenic C=C/C=C/CC/C=C/C=C/C#CCCC(=O)CC 238760645 NECHYDNFDQGDDG-SENBKVFWSA-N 242.362 4.384 30 1 BIEF C=CCCCCCCC/C=C(\Cl)CO 13385972 JHQNGVFZTHPLMQ-BENRWUELSA-N 216.752 4.018 30 1 BIEF C=C(C)[C@H]1[C@@H]2[C@H](C)CC[C@H]3[C@H](C)CC[C@]321 85916653 ZNVSGENNKBLLJB-SPJHXALWSA-N 204.357 4.271 30 1 BIEF in-man C=C[C@](C)(O)CCC[C@@H](C)CCC=C(C)C 13538757 NZWVRMHQZPQHLI-GJZGRUSLSA-N 224.388 4.476 30 1 BIEF biogenic C=C1C=C[C@H]2[C@@H]3[C@H]1[C@@]2(C)CC[C@@H]3C(C)C 104371010 ADVJSMBYHNLAGK-SEBNEYGDSA-N 202.341 4.047 30 1 BIEF in-man C=C[C@]1(C)CC(=O)C(=C(C)C)C[C@H]1C(=C)C 15150219 ABLPGPHZENVRRH-DZGCQCFKSA-N 218.340 4.070 30 1 BIEF endogenous,in-man C=CCCc1nc2cccc3c2c(c1CC)CC3 587214308 RSVRZZXEIPQXQM-UHFFFAOYSA-N 237.346 4.014 30 1 BIEF Cc1cc2c(C)coc2cc1[C@@H](C)CCC=O 14694144 ITYICJYSWKRJCU-JTQLQIEISA-N 230.307 4.132 30 1 BIEF biogenic C=C1CC[C@H]2C(C)=Cc3occ(C)c3C[C@H]12 2356634798 OBTNEYCNZNYGEG-QWHCGFSZSA-N 214.308 4.130 30 1 BIEF C=C1[C@H](C)CCC[C@]1(C)CCC(=O)C(C)C 14772486 YXODHUFGDCZHSC-IUODEOHRSA-N 222.372 4.374 30 1 BIEF biogenic O=C(C=CCCc1ccccc1)c1ccccc1 2356405545 WSCWRSSILDQLBE-UHFFFAOYSA-N 236.314 4.058 30 1 BIEF CCCCCC[C@@]1(C)SC(O)=C(CC)C1=O 101029092 KDQAMJNBEXOCBF-CYBMUJFWSA-N 242.384 4.211 30 1 BIEF CCCC=CC#CC=CC=CCCCC=CCO 2356646852 QXEADSLKXWHOJZ-UHFFFAOYSA-N 244.378 4.177 30 1 BIEF C=C1C[C@@H]2CC[C@H](C)[C@@]23CC(C)(C)C[C@@H]13 197339346 CPNKKZQGNNFQGD-ABHRYQDASA-N 204.357 4.415 30 1 BIEF C=C1CC[C@](C)([C@@H]2C[C@@H]3C(C)=C[C@H]32)[C@@H]1C 2356378779 WHGLQEZJYTZGDZ-RYPNDVFKSA-N 202.341 4.191 30 1 BIEF C=C1[C@@H]2CC[C@@]3(C)[C@@H](C2)[C@@H](C)CC[C@]13C 238731354 QQWUXXGYAQMTAT-PMTDCRIQSA-N 204.357 4.415 30 1 BIEF C=CC(=O)C#CC#CCC=CCCCCCCC 2356433792 UQEBOJRXTNLPKZ-UHFFFAOYSA-N 242.362 4.055 30 1 BIEF C=C1CC[C@@H](C)C(C)(C)[C@@H]1C=CC(=O)CC 2356588922 MIRFZFVOZQLFTF-TZMCWYRMSA-N 220.356 4.150 30 1 BIEF C=C1CC/C=C(\C)CC[C@H]2[C@@H]([C@@H]1OC)C2(C)C 238770894 FBVPCRFFPHHGLA-NKTIKSMOSA-N 234.383 4.350 30 1 BIEF C=C(C)[C@H]1CC[C@]2(C)[C@H]3CC[C@@H](C)[C@H]3[C@H]12 138090912 KZVOHANKAKKFOK-JSLGZRHDSA-N 204.357 4.271 30 1 BIEF C=C[C@@]1(C)CC(=O)C(=C(C)C)C[C@@H]1C(=C)C 15150217 ABLPGPHZENVRRH-HIFRSBDPSA-N 218.340 4.070 30 1 BIEF endogenous,in-man CC1=C[C@@]2(CC=O)CCCC(C)(C)[C@@H]2CC1 14557452 KBOSOCFVHDLFBV-ZFWWWQNUSA-N 220.356 4.128 30 1 BIEF biogenic C=N[C@]1(C)CC[C@H](C(C)C)[C@H]2C=C(C)CC[C@@H]21 2356564371 MOJQTEHOASVXMY-LVQVYYBASA-N 233.399 4.484 30 1 BIEF C/C1=C\C(=O)[C@@H](C(C)C)CC/C(C)=C/CC1 136713987 RESNWHKKMVJDFA-VDAKUHIQSA-N 220.356 4.294 30 1 BIEF C=C(C)[C@@H]1CC[C@@](C)([C@H]2CC=C(C)CC2)O1 2356687026 AKAQULCXJUDSBA-KKUMJFAQSA-N 220.356 4.247 30 1 BIEF CCCC/C=C\C(=O)c1coc2ccccc12 587280627 NPALXQHPEGBTGA-UITAMQMPSA-N 228.291 4.362 30 1 BIEF C=CCC[C@@](C)(O)C=C(C)CCC=C(C)C 2356490393 GPZBHLFXJRAHLQ-OAHLLOKOSA-N 222.372 4.396 30 1 BIEF C=C1CC[C@@H]2C(C)(C)[C@@H]3C[C@]12CC[C@@H]3C 2356764563 QQKZQCZZXKSVPR-XTWPYSKKSA-N 204.357 4.415 30 1 BIEF C=CCCCCC/C=C\C=C/CCCO 238786132 BMUOQNDSVXIXIV-XESWYYRISA-N 208.345 4.008 30 1 BIEF C=C1CCC[C@]1(C)[C@@]1(C)CC=C(C)C(=O)C1 14619016 WIHJPPIUATXOOD-GJZGRUSLSA-N 218.340 4.048 30 1 BIEF biogenic C=C(C)[C@@H]1CCC[C@@]2(C)O[C@@]23CC[C@H](C)[C@@H]3C1 103542433 ZOSBJLACINPYIM-ZVDSWSACSA-N 234.383 4.327 30 1 BIEF biogenic,in-vitro C=C(C)[C@@H]1[C@@H]2[C@H](C)CC[C@H]3[C@H](C)CC[C@]132 238752360 ZNVSGENNKBLLJB-JSLGZRHDSA-N 204.357 4.271 30 1 BIEF C=C(C)[C@@H]1CC[C@]2(C)[C@H]1[C@H]1[C@H](C)CC[C@H]12 238760043 KZVOHANKAKKFOK-DXUDUQDWSA-N 204.357 4.271 30 1 BIEF C=C1CCC[C@]2(C)C[C@H](O)[C@H](C(C)(C)C)C[C@H]12 2356430804 RDBMNHJYYPKUNW-HGTKMLMNSA-N 236.399 4.166 30 1 BIEF CCCCCCC[C@@H](C)CC[C@H](C)C(=O)O 85642743 ABQDDNHUZOOWMZ-OLZOCXBDSA-N 228.376 4.484 30 1 BIEF C=CCc1cccc(OCCC)c1OCCCC 103284787 KXXVVSAOKRADHQ-UHFFFAOYSA-N 248.366 4.383 30 1 BIEF N#Cc1c(C2CCCCC2)[nH]c2cccc(F)c12 587636067 YUBCVGGFGJKRRG-UHFFFAOYSA-N 242.297 4.226 30 1 BIEF CC(C)=CCC[C@]1(C)CCC[C@@H](C)[C@@H]1C=O 32296716 VWOHYEGRTUNEJL-QLFBSQMISA-N 222.372 4.374 30 1 BIEF biogenic,in-vitro CCCCCCC[C@@H](O)C[C@H](O)CCCCC 43380027 XASHDJKQKGFGOI-HUUCEWRRSA-N 244.419 4.039 30 1 BIEF C/C1=C/CC[C@@]2(C)O[C@@H]2CC(C)(C)/C=C\C1 12153508 RKQDKXOBRXTSFS-SGRRRNBRSA-N 220.356 4.247 30 1 BIEF endogenous,in-man CC(C)=C1CC2=C(C)CC[C@@H]2[C@H](C)CC1=O 15264609 KOBSLTSXWKEUCB-VXGBXAGGSA-N 218.340 4.048 30 1 BIEF endogenous,in-man C=CCCCCC[C@@H]1CC[C@@H](C)[C@@H]2CCCN21 15272728 AQVPQPSGQZHEBC-OAGGEKHMSA-N 235.415 4.386 30 1 BIEF C=C1CC[C@@H]2[C@@H]([C@H]3C(C)=CC[C@H]13)C2(C)C 100780032 HDUMORZKKNOYSS-MQYQWHSLSA-N 202.341 4.191 30 1 BIEF endogenous,in-man CCCCCC/C=C\C=C\CCOC(C)=O 59725085 ZKUWHODMAHRIFM-QNRZBPGKSA-N 224.344 4.022 30 1 BIEF C=C1CC[C@@H]2[C@H](C1)Cc1occc1C2(C)C 15222164 FVUXXIFTPFHLIQ-VXGBXAGGSA-N 216.324 4.086 30 1 BIEF biogenic C=C1CC[C@H](C)[C@]2(C)CC[C@H]([C@@H](O)C(C)C)[C@H]12 2356630928 KJYGASCDMVYJAW-QXKUPLGCSA-N 236.399 4.022 30 1 BIEF CCCCC[C@@H](C)[C@@]1(C)SC(O)=C(C)C1=O 101032652 KTIDVKONMNLGRG-NOZJJQNGSA-N 242.384 4.067 30 1 BIEF CCC[C@H](C)c1[nH]c2cccc(F)c2c1C#N 587635405 KPKNPGLMDQYHRN-VIFPVBQESA-N 230.286 4.082 30 1 BIEF C=C(C)[C@@H]1CCC[C@@H](C)C2=C(C1)[C@@H](C)CC2=O 2356775956 SABXRZFPMOIAHR-FRRDWIJNSA-N 232.367 4.294 30 1 BIEF C=C(C)CCC[C@@]1(C)O[C@]12CC=C(C)CC2 13377513 CXUNYWSOIZUEAV-CABCVRRESA-N 220.356 4.391 30 1 BIEF biogenic Cc1cccc(C#Cc2cc3ccccc3s2)n1 38147822 IWRMGYMYZZIJHQ-UHFFFAOYSA-N 249.338 4.005 30 1 BIEF CC1(C)CC(O)=C/C(=N\c2ccccc2)C1 101232300 YUNGYLAQDUQIMV-NTCAYCPXSA-N 215.296 4.021 30 1 BIEF C=C1CCC=C(C)CC=CC(C)(C)C[C@H]1O 2356542197 NMGJCQNNUTYSJJ-CQSZACIVSA-N 220.356 4.006 30 1 BIEF CCCCC/C=C/C(=O)CCc1ccc(O)cc1 14708436 SPJVWQSNXPEUKK-VOTSOKGWSA-N 246.350 4.030 30 1 BIEF endogenous,in-man CC1=CC(=O)C[C@@]2(C)CCC(=C(C)C)C[C@@H]12 100778470 SVQMAXHCMOZBSF-LSDHHAIUSA-N 218.340 4.048 30 1 BIEF endogenous,in-man C=C1[C@H]2CC[C@@H]3[C@@H]2[C@H](C(C)C)CC[C@]13C 100897148 VOBBUADSYROGAT-NJVJYBDUSA-N 204.357 4.271 30 1 BIEF in-vitro CCCCCCCCN(CC#N)c1ccccc1 473116242 VYVBEJKJCQVPMT-UHFFFAOYSA-N 244.382 4.377 30 1 BIEF C=CCc1cccc2nc(/C=C/CCCC)[nH]c12 587966828 YGDQVDGEOYSRSF-KPKJPENVSA-N 240.350 4.495 30 1 BIEF C=C1CC=CC(C)(C)CC=C(C)CCC1=O 2356697998 ZZYRTNAABNHZCH-UHFFFAOYSA-N 218.340 4.214 30 1 BIEF C/C1=C/CC(C)(C)/C=C\C[C@]2(C)O[C@H]2CC1 9213617 QTGAEXCCAPTGLB-MLQLDRGDSA-N 220.356 4.247 30 1 BIEF endogenous,in-man C=C(C(=O)O)[C@H]1C/C=C(\C)CC/C=C(\C)CC1 15255651 IBJVPIJUFFVDBS-JBMXZMKISA-N 234.339 4.100 30 1 BIEF biogenic,in-vitro C=CC[C@H](Nc1ccccc1)c1cccs1 29058338 OCGSQXWJDWBJNR-ZDUSSCGKSA-N 229.348 4.477 30 1 BIEF N#Cc1ccc(-c2ccc(-c3ccco3)o2)cc1 59859397 GUHBTZWQXNFNFU-UHFFFAOYSA-N 235.242 4.078 30 1 BIEF CCCCCCCC1=C[C@H](O)c2ccccc2N1 100190531 POWHEIUYDWIFET-INIZCTEOSA-N 245.366 4.390 30 1 BIEF in-vitro C=C[C@H](O)[C@H]1[C@H]2CC[C@@H]3[C@H]2C(C)(C)CCC[C@]13C 28645671 UETSWYUUVWBKJB-CXKHLATESA-N 248.410 4.022 30 1 BIEF C=C1[C@@H]2CC[C@@]23C[C@H](C(C)C)CC[C@]13C 59586298 IIKQEMDGVJYMGN-LXTVHRRPSA-N 204.357 4.415 30 1 BIEF biogenic,in-vitro C=C1CC[C@@H]2C[C@H]3CC(C)(C)C[C@H]3[C@]12C 59778886 XEORYLRYWDQOAT-KYEXWDHISA-N 204.357 4.415 30 1 BIEF CCCCCCC=CC=CCCOC(C)=O 2356645670 ZKUWHODMAHRIFM-UHFFFAOYSA-N 224.344 4.022 30 1 BIEF C=C1CC[C@@H]2O[C@@]23CCC[C@@H](C3)[C@@H]2[C@H]1CC2(C)C 2356741107 KQMYIFYTDKKQMM-NBFUAULTSA-N 246.394 4.327 30 1 BIEF CC/C=C/C#CC#CC/C=C\CCCC 238741310 DBJLSDLXQCVBSI-RFALSVCPSA-N 200.325 4.096 30 1 BIEF CCCCCCCC=CCCCCCO 2356588939 MVQIAKPRNQLLOQ-UHFFFAOYSA-N 212.377 4.456 30 1 BIEF CCCC#CC#C/C=C/C=C/CCCC 238746167 KEGIXEDOWRUBQR-PXELCPQFSA-N 200.325 4.096 30 1 BIEF CC(=O)CCC=C(C)CCC=C(C)CCC=O 2356340723 WFSIQNRAWDRWLN-UHFFFAOYSA-N 236.355 4.008 30 1 BIEF C/C=C\C#CC/C=C\CCCCCC(C)=O 14639027 MTRMYFQVGGDQQK-JYKTZQBOSA-N 218.340 4.052 30 1 BIEF C=C1CC[C@@H]2[C@H]([C@H]3C1=CC[C@@H]3C)C2(C)C 2356329176 WILLVGWOOMVDNT-IGHBBLSQSA-N 202.341 4.191 30 1 BIEF C/C(=N\C1CCCCC1)Nc1ccccc1C 3915177 OODJWSHVRHWNOR-UHFFFAOYSA-N 230.355 4.158 30 1 BIEF C=CCCCC/C=C\C=C\C#CC#C/C=C\C 195765531 ZJZNMXVJKYOSGJ-FMURGMPESA-N 224.347 4.428 30 1 BIEF C=C[C@]1(C)CC[C@@H](/C(C)=C/CC=C(C)C)O1 59727224 SADCLHOFZYXXAL-WMHHWXMBSA-N 220.356 4.413 30 1 BIEF C=C(CC(=O)CC(C)C)[C@H]1CC=C(C)CC1 2356785190 RXDBFFKBQQIDPB-AWEZNQCLSA-N 220.356 4.294 30 1 BIEF C=C1C=CC(C)(C)CCC(=O)[C@@H](C)CCC1 2356451411 FQPYASKSBPFKKK-ZDUSSCGKSA-N 220.356 4.294 30 1 BIEF C=C(C)[C@H]1CC[C@@]2(C)CCC(=O)C[C@@]2(C)C1 16927600 VESUMYPXHVXDJI-AEGPPILISA-N 220.356 4.128 30 1 BIEF endogenous,in-man C=C1CC[C@H]2[C@@H]1CC(C)(C)C[C@H]1C[C@]12C 59778538 WXGMXZIDGRJJPK-SFDCQRBFSA-N 204.357 4.415 30 1 BIEF C=C1CC[C@@H]2O[C@]2(C)CC[C@]2(C)[C@H]1CC2(C)C 2356646175 RSYBQKUNBFFNDO-WMHQRMGPSA-N 234.383 4.327 30 1 BIEF C=C(C)[C@H]1[C@H]2[C@@H](C)CC[C@H]3[C@H](C)CC[C@@]312 100825785 ZNVSGENNKBLLJB-MNQBEEPXSA-N 204.357 4.271 30 1 BIEF endogenous,in-man C/C1=C\CCC(=O)/C=C/C(C)(C)CCC1 103567855 DSPDFJOUMGPCOG-WIPAEPSYSA-N 206.329 4.048 30 1 BIEF biogenic,in-vitro CCCCCCC/C=C/CCCOC(C)=O 59725072 HVFBMRUBJRAFIN-MDZDMXLPSA-N 226.360 4.246 30 1 BIEF C=C[C@H](O)C#CC/C=C/C=C\CCCCCCC 238763095 KKAHGGJBKUXDNQ-KZPFCIKCSA-N 246.394 4.400 30 1 BIEF C/C=C/C=C/C#CC/C=C\CCCCCCO 211688074 NPTZZEDKCGUJHK-QAKIPNEESA-N 232.367 4.011 30 1 BIEF CC(C)=CC(=O)C=C(C)[C@@H]1CC=C(C)CC1 2356654888 OJEFBZMKKJTKKK-CQSZACIVSA-N 218.340 4.214 30 1 BIEF C=C[C@](C)(O)CC[C@H]1C(=C)CCCC1(C)C 14609775 AGPMIYKLQKQYMC-ZFWWWQNUSA-N 222.372 4.086 30 1 BIEF biogenic C=C(C)[C@@H]1CC[C@]2(C)[C@H](O)C[C@@H](C)C(=C)[C@@]2(C)C1 2356470531 DOQBFZAEDKJWNP-LMHBHQSJSA-N 248.410 4.332 30 1 BIEF C/C1=C\CC[C@]2(C)O[C@H]2CC(C)(C)/C=C/C1 33838372 RKQDKXOBRXTSFS-XWWBPOOSSA-N 220.356 4.247 30 1 BIEF C=C1CC[C@]23[C@@H](C)CC[C@H](C(C)C)[C@H]2[C@H]13 238752861 FSRZGYRCMPZNJF-AIEDFZFUSA-N 204.357 4.271 30 1 BIEF C=CCC(C)(C)c1nc2ccc(Cl)c(C)c2[nH]1 587954374 RDLZPBDYEFGDHV-UHFFFAOYSA-N 248.757 4.378 30 1 BIEF C/C=C/C=C/C(=O)c1coc2ccc(Cl)cc12 587275674 DHARWHQCLSJJDT-MQQKCMAXSA-N 246.693 4.401 30 1 BIEF C/C1=C\CC[C@@]2(C)O[C@H]2CC(C)(C)/C=C/C1 33838371 RKQDKXOBRXTSFS-RWRNEBBCSA-N 220.356 4.247 30 1 BIEF C=CCC[C@](C)(O)C=C(C)CCC=C(C)C 2356490392 GPZBHLFXJRAHLQ-HNNXBMFYSA-N 222.372 4.396 30 1 BIEF CC(C)=C/C=C/C(C)=C/C=C/C(C)=C/C=N/O 29126381 GYRGCJGDPVUTFO-LJMJGZGRSA-N 231.339 4.418 30 1 BIEF Cc1cccc2nc(N/N=C/CC(C)C)sc12 1772641783 XGMLSVBCYYNGTD-RIYZIHGNSA-N 247.367 4.049 30 1 BIEF C/C1=C\CC(C)(C)[C@@H]2O[C@@H]2C/C(C)=C/CC1 33831639 WSIKWSKUPSHZMF-HLMAGEMUSA-N 220.356 4.247 30 1 BIEF C=N[C@@H]1C[C@H]2[C@H]3C[C@@]1(C)C[C@@]2(C)C[C@H]3C(C)C 2356709509 IAXXENPNKIEPSX-AYYATWNNSA-N 233.399 4.174 30 1 BIEF CCCCCC/C=C/C=C\CCOC(C)=O 59725099 ZKUWHODMAHRIFM-OCBXPSTGSA-N 224.344 4.022 30 1 BIEF C=C(C/C=C/C(C)(C)O)[C@H]1CC=C(C)CC1 13377598 UMHJVDDWUSONQN-GJIAFCOMSA-N 220.356 4.006 30 1 BIEF endogenous,in-man C=C[C@H](O)CC/C=C(\C)CCC=C(C)C 215534187 WASNIKZYIWZQIP-UELRPHRMSA-N 208.345 4.006 30 1 BIEF CC[C@@H](C)c1ccc2[nH]c(C)c(CC#N)c2c1 587642941 QIPJHFBRENPQHA-SNVBAGLBSA-N 226.323 4.056 30 1 BIEF CCCCCCC/C=C/C(C)=C/C=C/C(=O)O 1911575336 UHMHCQLRUOWPKJ-OBZGEHOJSA-N 236.355 4.490 30 1 BIEF Cc1ccc(/N=C\c2sccc2C)cc1C 18122162 FYRBWATZKJFTRA-DHDCSXOGSA-N 229.348 4.424 30 1 BIEF C=C(C)C(=O)CC[C@H](C)c1ccc(C)cc1 13377495 JVRYIUOXNFDSNU-ZDUSSCGKSA-N 216.324 4.024 30 1 BIEF endogenous,in-man C=CC(=C)CC/C=C(\C)COC(=O)CC(C)C 238768552 FTVXQTWXHVLVBY-NTEUORMPSA-N 236.355 4.044 30 1 BIEF C=C1CC[C@H](C(=C)C)C/C=C(\C)CCC1=O 140379890 QMEZKUJMSSOSEF-IMBBRHANSA-N 218.340 4.214 30 1 BIEF C=CCCCC/C=C/C=C\C#CC#C/C=C/C 238782528 ZJZNMXVJKYOSGJ-AXQQYNEFSA-N 224.347 4.428 30 1 BIEF CC1=C[C@H]2O[C@H]2C(C)=CCC(C)(C)C=CC1 2356330933 CURDSHVMYFYNIX-KGLIPLIRSA-N 218.340 4.023 30 1 BIEF C=C(CCC=C(C)C)[C@@H]1CC[C@@](C)(O)[C@H]1C 13386874 RJXMRBKKBWFPSU-SOUVJXGZSA-N 222.372 4.086 30 1 BIEF biogenic C=C1CC[C@@H]2C[C@H]3[C@@H](C)CC[C@]13C2(C)C 70454101 SLTLKLCDQWGISZ-QJZXMWHDSA-N 204.357 4.415 30 1 BIEF biogenic,in-vitro C=CCCCC/C=C/C=C\C#CC#C/C=C\C 238775462 ZJZNMXVJKYOSGJ-QPJHTWLDSA-N 224.347 4.428 30 1 BIEF C=C(C)[C@@H]1CC[C@]2(C)CC(CNC)=CC(C)=C2C1 2356368384 LEMNXGGNIKMILQ-NVXWUHKLSA-N 245.410 4.235 30 1 BIEF C=C(C)[C@@H]1CCC[C@@H](C)C2=C(C1)[C@H](C)CC2=O 2356775957 SABXRZFPMOIAHR-JHJVBQTASA-N 232.367 4.294 30 1 BIEF C=C(C=CCC(C)(C)O)[C@H]1CC=C(C)CC1 2356784583 PERYRNAIUJFUDK-AWEZNQCLSA-N 220.356 4.006 30 1 BIEF CCCC#CC#C[C@H](O)C=CCCCCCCC 2356752161 KIWXXCLBXNHHQU-KRWDZBQOSA-N 246.394 4.071 30 1 BIEF C/C=C/C=C/CCCCCCCCC=O 59725521 OSEYYHLYXJSGCW-MQQKCMAXSA-N 208.345 4.438 30 1 BIEF C=CCc1cccc(OCCC(C)C)c1OCC 103284813 IMZHCEYSPWTOSQ-UHFFFAOYSA-N 248.366 4.239 30 1 BIEF CCC(=O)/C(C)=C/C=C/C=C/c1ccccc1 238732555 SKODEUFDEDHSSM-AEGHMSEDSA-N 226.319 4.181 30 1 BIEF CC/C=C\C=C\C=C/CCCCCC=O 238735751 ABHMXTQMQYXWML-UBXFYOHCSA-N 206.329 4.214 30 1 BIEF CSc1scc(-c2ccc(F)cc2)c1C#N 28360795 MMLCUNXLZFKZMZ-UHFFFAOYSA-N 249.335 4.148 30 1 BIEF CCCCC/N=C1\C[C@H]2CC[C@]1(C)C2(C)C 1772646512 BYVLLMVQJFDMTQ-PCYAOSAHSA-N 221.388 4.464 30 1 BIEF C=C1CCC[C@@H]2CCC[C@@H]3[C@@H]([C@@H]12)C3(C)C 2356711872 DWDYZEGXLHAWQJ-MQYQWHSLSA-N 204.357 4.415 30 1 BIEF C=C(C)CCC[C@H](C)[C@@]1(O)CC=C(C)CC1 13377391 UZUXPANAZFDWJO-LSDHHAIUSA-N 222.372 4.230 30 1 BIEF biogenic C=C1CC[C@@H]2O[C@]2(C)C[C@@H]2CCC[C@]3(C)C[C@@H]1[C@@H]23 2356668461 QKNQNUADXBWQBX-OVYBAWALSA-N 246.394 4.327 30 1 BIEF C=C1CCCC(C)(C)[C@]12CC=C(C(=O)OC)CC2 238743982 OVQHWFHZIYQFDO-INIZCTEOSA-N 248.366 4.022 30 1 BIEF C=C(CCC(=O)C(C)C)[C@H]1CC=C(C)CC1 13377401 ZKMKFSVHDMZVCK-AWEZNQCLSA-N 220.356 4.294 30 1 BIEF biogenic C=C(CC[C@H]1OC1(C)C)[C@H]1CC=C(C)CC1 13377518 MGENYQSHSWSTRW-UONOGXRCSA-N 220.356 4.247 30 1 BIEF biogenic C=C1CCC[C@@]1(C)[C@@]1(C)CC=C(C)C(=O)C1 14619018 WIHJPPIUATXOOD-LSDHHAIUSA-N 218.340 4.048 30 1 BIEF biogenic C=C(C)[C@@H]1CC[C@@]2(C)CCCC(C(=O)OC)=C2C1 33832772 NOROUGKWGGCQMD-MLGOLLRUSA-N 248.366 4.022 30 1 BIEF biogenic,in-vitro C=C1CCC[C@@H]2CCC[C@@H]3[C@H]([C@@H]12)C3(C)C 2356711874 DWDYZEGXLHAWQJ-YIYPIFLZSA-N 204.357 4.415 30 1 BIEF c1ccc([C@H]2O[C@H]2c2ccc3ccccc3n2)cc1 13283848 XNCXXBJNNNWPES-SJORKVTESA-N 247.297 4.047 30 1 BIEF C/C1=C/CC(C)(C)/C=C\C[C@]2(C)O[C@@H]2CC1 15161372 QTGAEXCCAPTGLB-KDYBSOQRSA-N 220.356 4.247 30 1 BIEF endogenous,in-man C=C1C=C[C@]2(C)CCCC(C)(C)[C@@]23C[C@@H]13 196376969 XOPQCMQCJQEISN-QEJZJMRPSA-N 202.341 4.335 30 1 BIEF C=C1CCC[C@@]2(C)CC[C@H]3C[C@@]12OC3(C)C 13308977 XWTXUKLVEPDOQT-AEGPPILISA-N 220.356 4.081 30 1 BIEF biogenic N#C[C@H](F)c1ccc(-c2ccccc2)c(F)c1 71316242 SNWSANRMCLPWDT-AWEZNQCLSA-N 229.229 4.027 30 1 BIEF C=C1CC[C@@H]2[C@@H]1[C@@H]1[C@@H](C(C)C)CC[C@@]12C 105366331 YIRAHEODBQONHI-ARILJUKYSA-N 204.357 4.271 30 1 BIEF endogenous,in-man CC1=CC[C@@H]2C(C)(C)CCC[C@@]2(C)[C@@H]1CC=O 14764984 SZWZLWGBWZARPP-FMKPAKJESA-N 234.383 4.374 30 1 BIEF biogenic C=C1CCCC(C)(C)[C@H]1C=CC(C)=CC(=O)OC 2356445935 TYRVLSBKPUMSQP-AWEZNQCLSA-N 248.366 4.044 30 1 BIEF C=C[C@]1(C)CC[C@H]2C(C)=CC[C@@H](C)[C@]2(C)O1 14954300 RZQBHTGTGZGNFA-BARDWOONSA-N 220.356 4.103 30 1 BIEF C=C(CCC=C(C)C)[C@H]1CC=C(C)C(=O)C1 13377640 FNSXIWZZZIJORF-AWEZNQCLSA-N 218.340 4.214 30 1 BIEF biogenic,in-vitro Cc1c([C@@H](C)C#N)[nH]c2c(C)cc(Cl)cc12 587624772 QYMHLXGDFPRZLA-QMMMGPOBSA-N 232.714 4.065 30 1 BIEF C=C1CCCC(C)(C)[C@@H]1C=CC(C)=CC(=O)OC 2356445936 TYRVLSBKPUMSQP-CQSZACIVSA-N 248.366 4.044 30 1 BIEF C=C(C)[C@H]1CC[C@]2(C)CCC(=O)C[C@]2(C)C1 1715029 VESUMYPXHVXDJI-CFVMTHIKSA-N 220.356 4.128 30 1 BIEF in-man CCSc1cc(-c2cccc(C#N)c2)cs1 28365245 NZXHHZNCVZCMBF-UHFFFAOYSA-N 245.372 4.399 30 1 BIEF C/C=C/C=C\C#C/C=C\C=C/CCCCCC=O 221227997 LIRHSECKYIWWMK-GEXZYJCXSA-N 242.362 4.384 30 1 BIEF C=C1CC[C@@H]2O[C@]2(C)C[C@@H]2CCC[C@]3(C)C[C@H]1[C@@H]23 2356668459 QKNQNUADXBWQBX-KMIMBKNBSA-N 246.394 4.327 30 1 BIEF C=C[C@]1(C)CC(=O)C(=C(C)C)C[C@@H]1C(=C)C 15150221 ABLPGPHZENVRRH-UKRRQHHQSA-N 218.340 4.070 30 1 BIEF endogenous,in-man CCCCCCCCCCOC(=O)NCCC 59895163 DUDFKUCDLHRTOQ-UHFFFAOYSA-N 243.391 4.263 30 1 BIEF C=C1CC[C@@H]2[C@H]([C@H]3[C@H](C)CC[C@@H]13)C2(C)C 85644127 ITYNGVSTWVVPIC-XHJNMGKDSA-N 204.357 4.271 30 1 BIEF biogenic,in-vitro C=C(CC=CC(C)(C)O)[C@@H]1CC=C(C)CC1 2356644139 UMHJVDDWUSONQN-CQSZACIVSA-N 220.356 4.006 30 1 BIEF C=C[C@@]1(C)CC[C@@H]2[C@H]([C@@H]1C(=C)C)C2(C)C 95909786 LKQMMFFQYMYQOJ-COMQUAJESA-N 204.357 4.437 30 1 BIEF biogenic,in-vitro CCCCCCCCCc1cc(C)cc(=O)o1 103168687 JZRHFSIJJXJLQB-UHFFFAOYSA-N 236.355 4.241 30 1 BIEF CCCCCCCC(=O)O[C@H](C)CCC 136461143 ZZILRVYYTFVLGI-GFCCVEGCSA-N 214.349 4.079 30 1 BIEF CC[C@H](C)c1ccc2[nH]c(C)c(CC#N)c2c1 587642939 QIPJHFBRENPQHA-JTQLQIEISA-N 226.323 4.056 30 1 BIEF CC(C)=CC(=O)C[C@@H](C)C1=CC=C(C)CC1 32227837 ZMIQNSSHYBJKIL-CYBMUJFWSA-N 218.340 4.214 30 1 BIEF biogenic,in-vitro CC/C=C\C=C/C=C\CCCCCC=O 238785488 ABHMXTQMQYXWML-QMGPHSPGSA-N 206.329 4.214 30 1 BIEF C=C[C@]1(C)CC[C@@H]2[C@@H]([C@H]1C(=C)C)C2(C)C 100826395 LKQMMFFQYMYQOJ-GUIRCDHDSA-N 204.357 4.437 30 1 BIEF endogenous,in-man C=C(C)[C@@H]1CCC[C@H](C)[C@H]2CC(=O)C(C)=C2C1 2356340180 IXPUBQZANWHZIX-IACUBPJLSA-N 232.367 4.294 30 1 BIEF C=CCCCCC/C=C/CC#CC#CC#CC 85831777 FFKAQLNVYWMLFO-BMRADRMJSA-N 224.347 4.099 30 1 BIEF C=CCc1c(CCC)nc2cccc3c2c1CC3 587213265 HQYNQAIKCUCTMC-UHFFFAOYSA-N 237.346 4.014 30 1 BIEF C=C1CCC[C@@]2(C)CC(=O)C(=C(C)C)C[C@@H]12 15207492 NKGSEACIYQINQJ-ZFWWWQNUSA-N 218.340 4.048 30 1 BIEF biogenic C=C1CCC=C(C)C=Cc2c(C)coc2C1 2356570695 RYMNYQJCUJGMFN-UHFFFAOYSA-N 214.308 4.440 30 1 BIEF C=C(c1ccccc1)[C@@H](C#N)C1CCCC1 206036283 QQRCXEBATMYAMD-OAHLLOKOSA-N 211.308 4.030 30 3 BIEF C=C1CC[C@@H]2[C@H](CC[C@]3(C)[C@@H](O)CC[C@H]23)C1(C)C 29477911 HKMSOXFYCYBRLW-NMNMXBMNSA-N 248.410 4.166 30 1 BIEF C=C1CCC[C@@H](C)C=C[C@@H](C(=C)C)C(=O)C1 2356793655 HJXPPNYEHQHFNM-OCCSQVGLSA-N 218.340 4.070 30 1 BIEF C=C(C)[C@H]1[C@@H]2CC[C@]2(C)[C@H]2CC[C@H](C)[C@H]21 44387768 UEHKTJFOLYEULK-GXYBRJDSSA-N 204.357 4.271 30 1 BIEF C=C(C)[C@@H]1CC=C(C)CCC=C(C)CC1=O 2356689169 ZVSZHMFUICOVPY-AWEZNQCLSA-N 218.340 4.214 30 1 BIEF C=C[C@]1(C)CC[C@@H]2C(=C)CC[C@@H](C)[C@]2(C)O1 14954319 BYFHCTPWRGQRAG-TUVASFSCSA-N 220.356 4.103 30 1 BIEF biogenic CCCCCCCC[C@@H](CC)C(=O)CC(C)=O 85734138 RQUCUNVKAOKIPZ-CQSZACIVSA-N 240.387 4.311 30 1 BIEF C=C(C)[C@@H]1CCC[C@H](C)[C@@H]2CC(=O)C(C)=C2C1 2356340182 IXPUBQZANWHZIX-YUTCNCBUSA-N 232.367 4.294 30 1 BIEF C=C1CC[C@H]2[C@H](C1)Cc1occc1C2(C)C 15222167 FVUXXIFTPFHLIQ-NEPJUHHUSA-N 216.324 4.086 30 1 BIEF biogenic C=CC[C@H](CCCOCCCC)OCCCC 2356686497 IRRSUPQKUDHRPW-OAHLLOKOSA-N 242.403 4.345 30 1 BIEF C=C1[C@@H]2C=CC(C)(C)[C@H]1CCc1ccoc12 14636181 JFLGGIRYSKRAQG-STQMWFEESA-N 214.308 4.078 30 1 BIEF C=C1C=CCC(C)(C)[C@@H]1CCc1ccoc1 14638733 PZLACPJFKRARJT-CQSZACIVSA-N 216.324 4.371 30 1 BIEF biogenic C=C[C@@H](OCCC)c1ccc(OCCC)cc1 28334236 VAYPBPFEUHBKMI-OAHLLOKOSA-N 234.339 4.129 30 1 BIEF C=C1[C@H]2CC[C@@]3(C2)[C@H](C)CC[C@H]3C1(C)C 79275188 RFSYBMDOYOBTCL-GVUJHPQVSA-N 204.357 4.415 30 1 BIEF C=C[C@@H](O)/C=C/C#CC/C=C/CCCCCCC 85831969 AZYMFOSYSFSUMW-GJYBYYRWSA-N 246.394 4.400 30 1 BIEF endogenous,in-man C=C1CCC=C(C)CC=CC(C)(C)C[C@@H]1O 2356542196 NMGJCQNNUTYSJJ-AWEZNQCLSA-N 220.356 4.006 30 1 BIEF CCCCCCCCC[C@@H]1CCCOC1=O 85925013 XLKRUURGHWUVNG-CYBMUJFWSA-N 226.360 4.080 30 1 BIEF endogenous,in-man C=N[C@]1(C)CC[C@@H]2[C@H]([C@@H]3[C@H](C)CC[C@H]31)C2(C)C 238753123 KCJUCYNJJYJRCR-YIXJMHAVSA-N 233.399 4.174 30 1 BIEF C=C1CC[C@H]2[C@@H](C1)Cc1occc1C2(C)C 15222173 FVUXXIFTPFHLIQ-RYUDHWBXSA-N 216.324 4.086 30 1 BIEF biogenic C=C1[C@H]2CC[C@@H](C2)[C@@H]2C[C@@H](C(C)C)C[C@@H]12 2356582216 DFUVGLKCFAASAU-YTFOTSKYSA-N 204.357 4.271 30 1 BIEF CC1=CC(=O)C[C@@]2(C)CCC(=C(C)C)C[C@H]12 15207409 SVQMAXHCMOZBSF-HUUCEWRRSA-N 218.340 4.048 30 1 BIEF endogenous,in-man C=C(C)/C=C\C/C(C)=C/CC/C(C)=C\C(=O)OC 238787724 CIUAVLQXCZTUGX-YOFBMTMHSA-N 248.366 4.355 30 1 BIEF c1ccc([C@H]2O[C@@H]2c2ccc3ccccc3n2)cc1 13283850 XNCXXBJNNNWPES-IAGOWNOFSA-N 247.297 4.047 30 1 BIEF C=CC[C@H]1CCCc2c1nc1cccc3c1c2CC3 587215545 QCYNQYYRFWPVJB-ZDUSSCGKSA-N 249.357 4.329 30 1 BIEF C=CCC(C)(C)c1nc2cc(Cl)cc(C)c2[nH]1 587954200 IBUBZJLSIVGWAS-UHFFFAOYSA-N 248.757 4.378 30 1 BIEF C=C(C)[C@@H]1CCCC(CO)=C2CC[C@H](C)[C@H]2C1 2356728881 WPAXVOMEFNGZLT-WOSRLPQWSA-N 234.383 4.088 30 1 BIEF C=CCCCCCCCc1cc(C#N)c(N)s1 210660145 AESVJTAOZYJWDK-UHFFFAOYSA-N 248.395 4.271 30 1 BIEF CC(=C\c1ccc(F)cc1)/C(=N/O)C(C)(C)C 116360243 ALDVAWDTIJSMNO-ZDHWLGKOSA-N 235.302 4.105 30 1 BIEF C=N[C@@H]1[C@H](C(C)C)CC[C@H](C)[C@@]12C=C(C)CC2 238752380 UIFMZXIMBFQLQN-CAOSSQGBSA-N 233.399 4.484 30 1 BIEF C=CCOc1ccc(Sc2ccccc2)cc1 29324865 ZVLYYOVBDAKEGJ-UHFFFAOYSA-N 242.343 4.403 30 1 BIEF C=C[C@@]1(C)CC[C@@H](C(C)C)C(=O)C1=C(C)C 85664123 YMIHAYABXZORPU-WFASDCNBSA-N 220.356 4.150 30 1 BIEF endogenous,in-man C=C[C@H](O)CCCC=CC=CC#CC=CCCC 2356383183 CKGCFBGECZAJPP-KRWDZBQOSA-N 244.378 4.176 30 1 BIEF CC1(C)C(=Cc2ccccc2)C(=O)c2ccccc21 1857623120 KGQHTMOZOPSKTH-UHFFFAOYSA-N 248.325 4.244 30 1 BIEF CC1(C)CCC[C@]2(C)CC3=C(C[C@@H]12)C(=O)CC3 1857567085 RPVXENZJFAXSJY-GOEBONIOSA-N 232.367 4.272 30 1 BIEF CCCCCCCC/C=C\C=C\CC(=O)O 59211618 YRUMHTHCEZRHTN-XAZJVICWSA-N 224.344 4.324 30 1 BIEF in-vitro C=CCCCCCCCC(=O)OCCCC 141372956 FOGBCOMHVVYKLG-UHFFFAOYSA-N 226.360 4.246 30 1 BIEF in-vitro C=C1CC[C@@H]2[C@H]([C@@H]3C1=CC[C@@H]3C)C2(C)C 2356329174 WILLVGWOOMVDNT-AHLTXXRQSA-N 202.341 4.191 30 1 BIEF CC1=CC[C@H]2C(C)(C)CCC[C@]2(C)[C@H]1CC=O 28571940 SZWZLWGBWZARPP-OFQRWUPVSA-N 234.383 4.374 30 1 BIEF C=C1C[C@@]2(C)CC[C@@H]1C[C@H]1[C@@H]2CC[C@H]1C 95912486 NPHFULIVCUBDDN-DVLUHMITSA-N 204.357 4.415 30 1 BIEF biogenic,in-vitro C=C1C=C2c3c(C)coc3C[C@H](C)[C@H]2CC1 15153817 FWAMSVJFINPKEF-CMPLNLGQSA-N 214.308 4.130 30 1 BIEF biogenic C=C1CC[C@H]2[C@@H]3[C@H]1[C@@]2(C)CCCC3(C)C 100197508 DQOVXHMHLOWECL-XPCVCDNBSA-N 204.357 4.415 30 1 BIEF in-vitro C=C1CCCC(C)(C)[C@@H]1CCC(C)=CCO 2356621492 CXSCXELZZLVZJP-CQSZACIVSA-N 222.372 4.088 30 1 BIEF C=C1[C@@H]2CC[C@H]3[C@@H]2[C@@H](C(C)C)CC[C@@]13C 87528989 VOBBUADSYROGAT-FQKPHLNHSA-N 204.357 4.271 30 1 BIEF in-vitro C=C1CC[C@@H]2[C@@H]1[C@@H]1[C@H](C(C)C)CC[C@@]12C 256989992 YIRAHEODBQONHI-VYDRJRHOSA-N 204.357 4.271 30 1 BIEF endogenous,in-man Cc1cccc(/C(Cl)=N/Nc2ccccc2)c1 27624489 GLTZBQOOYJZHIA-VKAVYKQESA-N 244.725 4.008 30 1 BIEF C=N[C@@H]1C[C@H]2[C@H]3C[C@]1(C)C[C@]2(C)C[C@@H]3C(C)C 238770158 IAXXENPNKIEPSX-HLZFJGBKSA-N 233.399 4.174 30 1 BIEF C=CCC(C)(C)c1nc2ccc(Cl)cc2[nH]1 587954515 YJLZKMHZOFUMTK-UHFFFAOYSA-N 234.730 4.070 30 1 BIEF C/C1=C\CC[C@@]2(C)O[C@@H]2CC(C)(C)C=CC1 685935449 RKQDKXOBRXTSFS-QUGHDGIESA-N 220.356 4.247 30 1 BIEF biogenic,in-vitro C=C[C@]1(C)C[C@H]2C=C(C)CC[C@H]2C(C)(C)O1 13380904 NIGRJVWIKNICMW-UMVBOHGHSA-N 220.356 4.103 30 1 BIEF biogenic C(=N/c1ccccc1)\c1cc(-c2ccccc2)no1 103251867 ACIGJJDOFSQKRF-SFQUDFHCSA-N 248.285 4.092 30 1 BIEF C=C[C@]1(C)CC[C@@]2(O1)C(C)=CC[C@H](C)[C@H]2C 13431237 CVZXLAAMZXBCMM-ZGKBOVNRSA-N 220.356 4.103 30 1 BIEF C=C1C=CC(C)(C)CCC(=O)[C@H](C)CCC1 2356451410 FQPYASKSBPFKKK-CYBMUJFWSA-N 220.356 4.294 30 1 BIEF C=N[C@H]1C[C@H]2[C@H]3C[C@]1(C)C[C@]2(C)C[C@H]3C(C)C 238757077 IAXXENPNKIEPSX-OJFNHCPVSA-N 233.399 4.174 30 1 BIEF CCCCCCCC=CC(=O)OCCCC 2356285353 DTCZJIDFDTTXSG-UHFFFAOYSA-N 226.360 4.246 30 1 BIEF C=C1CC[C@@H]2O[C@]2(C)C[C@@H]2CCC[C@]3(C)C[C@@H]1[C@H]23 2356668460 QKNQNUADXBWQBX-NQLMQOPMSA-N 246.394 4.327 30 1 BIEF C=CCCCCCC=CC=CCCCO 2356747845 BMUOQNDSVXIXIV-UHFFFAOYSA-N 208.345 4.008 30 1 BIEF CCCCCCCC=CC=CC(=O)N1CCCC1 2356392206 UAIYHWLHQSKQLW-UHFFFAOYSA-N 249.398 4.082 30 1 BIEF C=N[C@]1(C)CC[C@@H]2[C@H]([C@H]3[C@@H]1CC[C@H]3C)C2(C)C 2356558725 KCJUCYNJJYJRCR-NVWMEEMDSA-N 233.399 4.174 30 1 BIEF C=C(C)CCC[C@]1(C)O[C@]12CC=C(C)CC2 13377515 CXUNYWSOIZUEAV-GJZGRUSLSA-N 220.356 4.391 30 1 BIEF biogenic,in-vitro C/C1=C\CC(C)(C)[C@@H](C#N)CC(=O)/C(C)=C/CC1 64491727 GFOSUVFAUICCJZ-KMTBYPKKSA-N 245.366 4.188 30 1 BIEF COc1ccc(Cl)cc1C#CC(C)=C(C)C 587899224 XRDGQQJADMSVJK-UHFFFAOYSA-N 234.726 4.056 30 1 BIEF C=C(C)[C@@H]1CCCC(CO)=C2CC[C@@H](C)[C@H]2C1 2356728882 WPAXVOMEFNGZLT-XJKCOSOUSA-N 234.383 4.088 30 1 BIEF CC(C)CC1=C(C(=O)c2ccoc2)C[C@@H](C)C1 1610858 ROMXQUBLTVIACV-NSHDSACASA-N 232.323 4.235 30 1 BIEF biogenic CC(C)=C1C[C@@]2(C)[C@@H](C)CCC[C@@H]2CC1=O 15201135 HMLGXKHWABZSIS-ZOWXZIJZSA-N 220.356 4.128 30 1 BIEF endogenous,in-man C=C(C)[C@]12CCC[C@@]3(C)[C@H](C)[C@@H](C[C@@H]13)C2 2356397879 JUHRSPWNQHCFEL-QKGCVVFFSA-N 204.357 4.415 30 1 BIEF C=C[C@@H](O)C=CC#CCC=CCCCCCCC 2356562712 AZYMFOSYSFSUMW-QGZVFWFLSA-N 246.394 4.400 30 1 BIEF C=C1[C@@H]2CC[C@H]3[C@H]2C(C)(C)CCC[C@@]13C 2144658 PDSNLYSELAIEBU-ABHRYQDASA-N 204.357 4.415 30 1 BIEF biogenic,in-vitro C=C(C)CCC[C@@]1(C)O[C@@]12CC=C(C)CC2 13377512 CXUNYWSOIZUEAV-HUUCEWRRSA-N 220.356 4.391 30 1 BIEF biogenic CC1=C[C@]2(CC=O)CCCC(C)(C)[C@H]2CC1 14557460 KBOSOCFVHDLFBV-UKRRQHHQSA-N 220.356 4.128 30 1 BIEF biogenic C#CC1=CC[C@]2(CC1)C(=C)CC[C@H]2C(C)C 299859564 FXOYHVUXVVHLIO-HOTGVXAUSA-N 214.352 4.339 30 1 BIEF C=C(C)[C@@H]1CC[C@]2(C)[C@H](O)C[C@H](C)C(=C)[C@]2(C)C1 2356470529 DOQBFZAEDKJWNP-HCVDEJBSSA-N 248.410 4.332 30 1 BIEF C=C(C)[C@@H]1CCC[C@H](C)C2=C(C1)[C@H](C)CC2=O 2356775959 SABXRZFPMOIAHR-YNEHKIRRSA-N 232.367 4.294 30 1 BIEF CCCCCCC=CCCCCCCO 2356617785 QXYAJPQXTGQWRU-UHFFFAOYSA-N 212.377 4.456 30 1 BIEF CC1=CCC[C@@H]2[C@]1(C)CC[C@H](C)[C@]2(C)CC=O 14764906 MPWIIQYWQOBNKS-JJXSEGSLSA-N 234.383 4.374 30 1 BIEF biogenic C=C1CC[C@@H]2[C@]13[C@@H]1[C@H](CC[C@]23C)C1(C)C 103563871 FJYLCZVNXGMVTO-OBORUHMCSA-N 202.341 4.025 30 1 BIEF biogenic,in-vitro C=C1CC[C@H]2[C@H](CC[C@@]3(C)[C@H]2CC[C@H]3O)C1(C)C 169312396 HKMSOXFYCYBRLW-JGFGOLAASA-N 248.410 4.166 30 1 BIEF C=C1CCCC(C)(C)[C@H]1CCC(C)=CCO 2356621491 CXSCXELZZLVZJP-AWEZNQCLSA-N 222.372 4.088 30 1 BIEF Clc1ccc(/C=N/c2ccco2)c(Cl)c1 103207442 VPVCLRVZBRJPGR-VGOFMYFVSA-N 240.089 4.337 30 1 BIEF C(#CCCc1c[nH]cn1)CCCC1CCCCC1 89456316 QSRXCHWLIKLNIB-UHFFFAOYSA-N 244.382 4.096 30 1 BIEF C/C=C/C1=CC(=O)C[C@H](c2ccc(Cl)cc2)C1 36388385 NENSFOAYVVIEJD-YWVDXFKGSA-N 246.737 4.289 30 3 BIEF C#CCCC/C=C/CCCCc1cccc(O)c1 1857583028 ONAACYBLFDMUOW-VOTSOKGWSA-N 242.362 4.465 30 1 BIEF C=C1CC[C@@H]2[C@@H]([C@@H]3C(C)=CC[C@H]13)C2(C)C 100780029 HDUMORZKKNOYSS-SYQHCUMBSA-N 202.341 4.191 30 1 BIEF endogenous,in-man C=CCc1cccc2nc([C@@H]3C[C@@]3(C)CC)[nH]c12 586890178 NNVKPQTUIQKDDW-BLLLJJGKSA-N 240.350 4.195 30 1 BIEF C=C(C)[C@@H]1CC(=O)[C@@]2(C)CCCC(C)=C2C1 70455019 VAIOFGRNCJWCNU-WFASDCNBSA-N 218.340 4.048 30 1 BIEF biogenic,in-vitro C=N[C@]1(C)CC[C@H](C(C)C)[C@@H]2C=C(C)CC[C@@H]21 238749333 MOJQTEHOASVXMY-FXUDXRNXSA-N 233.399 4.484 30 1 BIEF C=C[C@]1(C)CC[C@@H]2C(C)(C)CCC[C@]2(C)O1 13383089 GRDWJTGVDHHNNH-YUELXQCFSA-N 222.372 4.327 30 1 BIEF biogenic C/C1=C/CC[C@]2(C)O[C@@H]2CC(C)(C)/C=C/C1 238778189 RKQDKXOBRXTSFS-UOKTVEOISA-N 220.356 4.247 30 1 BIEF C=C[C@@H](O)CCCC=CC=CC#CC=CCCC 2356383184 CKGCFBGECZAJPP-QGZVFWFLSA-N 244.378 4.176 30 1 BIEF C=C1CCC=C(C)CC[C@@H](C(=C)C)C[C@H]1O 2356737791 FCDRTOJMUHXAJJ-HUUCEWRRSA-N 220.356 4.006 30 1 BIEF C=CCCCC[C@H]1CC[C@@H](CCCCC)N1 13437547 OIWAVEMUOWGFIX-CABCVRRESA-N 223.404 4.434 30 1 BIEF biogenic C=C1CC/C=C(/C)CC[C@H](C(C)C)C(=O)C1 15255438 QTFJNWQFKJITEE-NFEOESJKSA-N 220.356 4.294 30 1 BIEF endogenous,in-man C=C1CC[C@H]2[C@H]1[C@@H]1[C@H](C(C)C)CC[C@@]21C 104359101 YIRAHEODBQONHI-YTFOTSKYSA-N 204.357 4.271 30 1 BIEF in-man C=C1CC[C@H]2O[C@@]2(C)CC[C@]2(C)[C@@H]1CC2(C)C 238773362 RSYBQKUNBFFNDO-XOUADPBQSA-N 234.383 4.327 30 1 BIEF CC=CCC=CCCCCCCCC=O 2356648339 XHXSPBYEQUMCKE-UHFFFAOYSA-N 208.345 4.438 30 1 BIEF C=C(C)c1cc2cc([C@@H](C)OC)c(OC)cc2o1 204837419 PLQCOULWQFEDKI-SNVBAGLBSA-N 246.306 4.182 30 1 BIEF C=C1c2ccoc2C[C@@]2(C)[C@H](C)CC[C@@]12C 15194539 KCODQVBELYNHHR-ONERCXAPSA-N 216.324 4.291 30 1 BIEF CC(C)=C1CC2=C(C)CC[C@H]2[C@H](C)CC1=O 15264604 KOBSLTSXWKEUCB-NEPJUHHUSA-N 218.340 4.048 30 1 BIEF endogenous,in-man C=C1CCC[C@@]2(C)CC[C@@H]3C[C@]12OC3(C)C 33830721 XWTXUKLVEPDOQT-SNPRPXQTSA-N 220.356 4.081 30 1 BIEF biogenic,in-vitro O=C1C=Cc2cccc3ccc(-c4ccco4)c1c23 49807860 SPVOVDWIJLVLIE-UHFFFAOYSA-N 246.265 4.309 30 1 BIEF C=C1CCC[C@]2(C)C[C@H](O)[C@H](C(C)(C)C)C[C@@H]12 2356430805 RDBMNHJYYPKUNW-KNCOVGOOSA-N 236.399 4.166 30 1 BIEF Cc1cc(Cl)cc2c(C#N)c(C(C)C)[nH]c12 587624120 DFIIAXAFYUOUEB-UHFFFAOYSA-N 232.714 4.125 30 1 BIEF CCCCCCCCC=CC=CCC(=O)O 2356522180 YRUMHTHCEZRHTN-UHFFFAOYSA-N 224.344 4.324 30 1 BIEF C=C1CCCC(C)(C)[C@H]1CC(=O)c1ccoc1 14638735 OLNXDVSHVILDLN-ZDUSSCGKSA-N 232.323 4.235 30 1 BIEF biogenic C=CCc1cc(OCCC)ccc1OCCCC 103287449 RKTMOBCSZXQCCR-UHFFFAOYSA-N 248.366 4.383 30 1 BIEF C=CC=CCCCCCCCCCC=O 2356664407 SZDKVVYLPIWQLJ-UHFFFAOYSA-N 208.345 4.438 30 1 BIEF C=C1CC[C@@H]2[C@H]1[C@H]1[C@@H](C(C)C)CC[C@@]21C 100826370 YIRAHEODBQONHI-QMIVOQANSA-N 204.357 4.271 30 1 BIEF endogenous,in-man C=C(C)/C=C/C/C(C)=C\CC/C(C)=C\C(=O)OC 238787723 CIUAVLQXCZTUGX-SSMKJQOFSA-N 248.366 4.355 30 1 BIEF C=CCOCC=CCCCCCCCC 2356527158 XOGRIOGKVYWODE-UHFFFAOYSA-N 210.361 4.496 30 1 BIEF C=CCCCCCCC[C@H](O)C#CC#CCCC 15270164 AYXCDALAXNSBPZ-QGZVFWFLSA-N 246.394 4.071 30 1 BIEF biogenic C=CC[C@H](Nc1ccc(C)cc1)c1ccco1 29058713 GKYLPXRTBYSMLR-AWEZNQCLSA-N 227.307 4.317 30 1 BIEF CCCCCCCCCCC/C=C/CO 103206318 UNJNVKPKKZTPPR-OUKQBFOZSA-N 212.377 4.456 30 1 BIEF C=C(C)[C@@H]1CC[C@]2(C)[C@H]1[C@H]1[C@@H](C)CC[C@H]12 238774005 KZVOHANKAKKFOK-UJOWSUJOSA-N 204.357 4.271 30 1 BIEF C=C1[C@@H](CC(=O)O)[C@H]1CCCCCCCC 42764353 CFWBSVFDJZSYKO-QWHCGFSZSA-N 224.344 4.014 30 1 BIEF C=C1[C@H]2CC[C@@H]3[C@@H]2[C@@H](C(C)C)CC[C@@]13C 100196871 VOBBUADSYROGAT-RYPNDVFKSA-N 204.357 4.271 30 1 BIEF in-vitro C=C1CC[C@@H]2[C@H]([C@H]3[C@@H](C)CC[C@H]13)C2(C)C 90396602 ITYNGVSTWVVPIC-MQLXINIDSA-N 204.357 4.271 30 1 BIEF C=CC[C@H](C)c1cc2c3c(cccc3n1)CC2 587213505 IPQQDMUDEACKBQ-NSHDSACASA-N 223.319 4.013 30 1 BIEF C=C(CCC=C(C)CCC=C(C)C)[C@@H]1CO1 2356639180 HNYSBTOKKSTMIG-HNNXBMFYSA-N 220.356 4.414 30 1 BIEF CCCCCCCc1ccc2nc(N)sc2c1 43307481 NGYJXFVBCOOXII-UHFFFAOYSA-N 248.395 4.391 30 1 BIEF CCCCCCCCCCCC(=O)[C@@H](O)CC 85617716 BQRGHMCHOJLOLX-AWEZNQCLSA-N 242.403 4.247 30 1 BIEF in-vitro CCCCCC=CC(=O)CCc1ccc(O)cc1 2356285214 SPJVWQSNXPEUKK-UHFFFAOYSA-N 246.350 4.030 30 1 BIEF C#CCN(C)[C@H](C)CCCCCCCCCC 34801125 VAFDRBJZVFFWNL-MRXNPFEDSA-N 237.431 4.471 30 1 BIEF CCCCCC/C=C1\OC(=O)c2ccccc21 43589885 LPSWHEYAABKJRP-KAMYIIQDSA-N 230.307 4.168 30 1 BIEF C=C[C@H](O)C#CC/C=C\C=C\CCCCCCC 238763084 KKAHGGJBKUXDNQ-MABPKESCSA-N 246.394 4.400 30 1 BIEF CCCCCCCCc1cn(CC=C(C)C)nn1 1857771620 UFPHDQSIYIESMO-UHFFFAOYSA-N 249.402 4.147 30 1 BIEF C=C[C@@](C)(O)C/C=C/[C@@H](C)C/C=C/C(=C)C 238775503 QQTBOCIWZDVCSA-UXARMJBWSA-N 220.356 4.028 30 1 BIEF Cc1ccc(/N=C/CC(=O)c2cccs2)cc1 169693776 WSSLDCJORIXWRL-OQLLNIDSSA-N 243.331 4.032 30 1 BIEF Cc1ccc(Cl)cc1/N=C/C1=C(O)CCC1 102613315 UKFGNHCTWPEZJS-OVCLIPMQSA-N 235.714 4.347 30 1 BIEF C=C1CCCC(C)(C)[C@H]1CC/C(C)=C/CO 137147861 CXSCXELZZLVZJP-TZIYXEQSSA-N 222.372 4.088 30 1 BIEF C=C1CC[C@H](C)[C@@]2(C)C[C@H]3[C@H]4C[C@@]12C[C@@]34C 263638227 SQNCNPSIELBAFJ-ZVCZDLMOSA-N 216.368 4.415 30 1 BIEF C=N[C@]1(C)CC[C@@H]2C(C)=CC[C@H](C(C)C)[C@H]2C1 2356463790 NCFGNZFSMBNYFG-KLHDSHLOSA-N 233.399 4.484 30 1 BIEF C[C@]12CCC3=CC(=O)c4ccccc4[C@@]3(CC1)C2 26739676 AMLXIQDMFMOOGM-IRXDYDNUSA-N 238.330 4.031 30 1 BIEF C=C[C@@]1(C)CC[C@H](C(C)C)C(=O)C1=C(C)C 85664125 YMIHAYABXZORPU-DOMZBBRYSA-N 220.356 4.150 30 1 BIEF endogenous,in-man C#CC=CCC=CCC=CCC=CCC 2356495532 UXCPLHLHLSGSJK-UHFFFAOYSA-N 200.325 4.425 30 1 BIEF C=C1CC[C@H]2[C@@H]([C@@H]3[C@@H]1CC[C@H]3C)C2(C)C 59778509 ITYNGVSTWVVPIC-DGTMBMJNSA-N 204.357 4.271 30 1 BIEF CC[C@@H](C)c1ccc2[nH]c(C)c(CCC#N)c2c1 587643410 UDSQKCRVMRHQEW-LLVKDONJSA-N 240.350 4.446 30 1 BIEF C=C1CC[C@H]2[C@H](C)CC[C@H]3[C@@H]([C@H]12)C3(C)C 685935496 IRCZVRWQUNZGSH-YTLQFRNZSA-N 204.357 4.271 30 1 BIEF biogenic,in-vitro C=C1[C@H]2[C@@H]3CC[C@@H]1[C@@]3(C)CCCC2(C)C 102945351 OYBHJKDJMRMSLX-PWNZVWSESA-N 204.357 4.415 30 1 BIEF C/C=C/C=C/C#C/C=C/C=C/CCCCCC=O 238765207 LIRHSECKYIWWMK-BDPLZKCDSA-N 242.362 4.384 30 1 BIEF C=C1[C@H]2CCc3ccoc3[C@@H]1C=CC2(C)C 14636183 JFLGGIRYSKRAQG-CHWSQXEVSA-N 214.308 4.078 30 1 BIEF C=C[C@@](C)(O)C/C=C/C(C)=C/CCC(=C)C 15213352 KXWFKKHUJPRJDG-SFPATHOHSA-N 220.356 4.172 30 1 BIEF C=CCCCCC/C=C\CC#CC#CC#CC 207297181 FFKAQLNVYWMLFO-ICFOKQHNSA-N 224.347 4.099 30 1 BIEF CC(C)=CCCC(C)=CCC[C@H](C)C=O 2356524342 ZXGMEZJVBHJYEQ-AWEZNQCLSA-N 208.345 4.294 30 1 BIEF C/C(=N\c1nc2ccccc2[nH]1)c1ccc(C)cc1 66100220 NCEFQZFXVNTYQR-SFQUDFHCSA-N 249.317 4.012 30 1 BIEF CC1(C)CCCC2=C1CC[C@](C)(CC=O)C2 14612140 XOIZOXQRSWVEQK-OAHLLOKOSA-N 220.356 4.272 30 1 BIEF biogenic C=C1CC[C@H]2[C@@H]1[C@@H]1[C@@H](C(C)C)CC[C@]21C 195806129 YIRAHEODBQONHI-QKGCVVFFSA-N 204.357 4.271 30 1 BIEF c1ccc([C@@H]2O[C@H]2c2ccc3ccccc3n2)cc1 13283849 XNCXXBJNNNWPES-IRXDYDNUSA-N 247.297 4.047 30 1 BIEF C=C1CC[C@@H](C(C)C)c2cc(C)c(O)cc21 13381384 YEWOGJYBUGDKLQ-LBPRGKRZSA-N 216.324 4.247 30 1 BIEF biogenic CC1=CC[C@@]2(C)C(=C(C)C(=O)C[C@H]2C)CC1 14649712 FXFLAINPZQUHOA-IAQYHMDHSA-N 218.340 4.048 30 1 BIEF biogenic CC1=CC[C@@H]2C(C)(C)CCC[C@]2(C)[C@@H]1CC=O 14764988 SZWZLWGBWZARPP-IIAWOOMASA-N 234.383 4.374 30 1 BIEF biogenic CCCCCC(=O)c1coc2cc(C#N)ccc12 587279631 YNFFDMDMVUPWBN-UHFFFAOYSA-N 241.290 4.067 30 1 BIEF C[C@@H]1CC[C@@]2(C#N)[C@@H]1[C@H]1[C@@H](CC[C@H]2C)C1(C)C 2356560518 TZTAUYZWUIVIIT-VHYSLAALSA-N 231.383 4.245 30 1 BIEF C=N[C@H]1C[C@H]2[C@H]3C[C@@]1(C)C[C@@]2(C)C[C@H]3C(C)C 2356709512 IAXXENPNKIEPSX-SBOZNWLOSA-N 233.399 4.174 30 1 BIEF C=CCCCCCC=CCC#CC#CC#CC 2356693297 FFKAQLNVYWMLFO-UHFFFAOYSA-N 224.347 4.099 30 1 BIEF C=C1[C@H]2CC[C@H]3[C@@H]2C(C)(C)CCC[C@@]13C 100043228 PDSNLYSELAIEBU-COMQUAJESA-N 204.357 4.415 30 1 BIEF C=C[C@@H](O)/C=C/C#CC/C=C\CCCCCCC 238734755 AZYMFOSYSFSUMW-FFBYOLKSSA-N 246.394 4.400 30 1 BIEF C=N[C@@H]1[C@H](C(C)C)CC[C@H](C)[C@]12C=C(C)CC2 2356569969 UIFMZXIMBFQLQN-JONQDZQNSA-N 233.399 4.484 30 1 BIEF C=C(C)[C@@H]1CC[C@@](C)([C@@H]2CC=C(C)CC2)O1 2356687025 AKAQULCXJUDSBA-ILXRZTDVSA-N 220.356 4.247 30 1 BIEF CC(C)=C1CC/C(C)=C\C/C=C(\C)CC1=O 238778356 VFQUTODDWOXXJK-VOFKWTQNSA-N 218.340 4.359 30 1 BIEF C=C1CCC[C@]2(C)CC[C@H]3C[C@@]12OC3(C)C 13308979 XWTXUKLVEPDOQT-NWANDNLSSA-N 220.356 4.081 30 1 BIEF biogenic CC(C)=CC(=O)C[C@@H](C)C1=CCC(C)=CC1 13377637 FZPYMZUVXJUAQA-CYBMUJFWSA-N 218.340 4.214 30 1 BIEF biogenic C=CCC(C)(C)c1nc2ccc(SC)cc2[nH]1 587954544 ZNUNLBWVNAMFAZ-UHFFFAOYSA-N 246.379 4.139 30 1 BIEF C=C1[C@@H]2CC[C@]23C[C@@H](C(C)C)CC[C@@]13C 2356631611 IIKQEMDGVJYMGN-AJNGGQMLSA-N 204.357 4.415 30 1 BIEF C=C(C)/C=C\C/C(C)=C\CC/C(C)=C\C(=O)OC 238756610 CIUAVLQXCZTUGX-LNVOITSESA-N 248.366 4.355 30 1 BIEF C=C1[C@H]2CC[C@]3(C)[C@@H](C2)[C@@H](C)CC[C@]13C 685935615 QQWUXXGYAQMTAT-HWKXDMQWSA-N 204.357 4.415 30 1 BIEF biogenic,in-vitro C=CC(C)=CC(=O)C[C@@H](C)CCC=C(C)C 2356491737 PWAJZVGEZYELLR-AWEZNQCLSA-N 220.356 4.460 30 1 BIEF CCC=C[C@@H](CC)CC(C)=CC(=O)CC 2356762483 ADALNYBEFSIJHR-CYBMUJFWSA-N 208.345 4.294 30 1 BIEF C=CCCCCCCC[C@@H](O)C#CC#CCCC 15270166 AYXCDALAXNSBPZ-KRWDZBQOSA-N 246.394 4.071 30 1 BIEF biogenic C=C(C)[C@H](CO)C/C=C(\C)CCC=C(C)C 14697007 JTSPVWIYQLSMER-HNRFISLBSA-N 222.372 4.254 30 1 BIEF C=C[C@@]1(C)CC(=O)C(=C(C)C)C[C@H]1C(=C)C 15150215 ABLPGPHZENVRRH-ZFWWWQNUSA-N 218.340 4.070 30 1 BIEF endogenous,in-man C=C1CCC[C@@]2(C)CC[C@@](C)(C(=C)C(=O)O)C[C@H]12 33830340 CYEPMWTWHPYWLF-VNQPRFMTSA-N 248.366 4.180 30 1 BIEF biogenic,in-vitro C=C1[C@H]2CC[C@@](C=O)(C2)[C@]1(C)C1CCCCC1 2356681871 JCRWOQXUQIVJIW-BPUTZDHNSA-N 232.367 4.128 30 1 BIEF CCC(CC)c1[nH]c2cccc(F)c2c1C#N 587634660 ARUSRAMRUJIPIH-UHFFFAOYSA-N 230.286 4.082 30 1 BIEF C=C[C@H](O)/C=C/C#CC/C=C/CCCCCCC 85831972 AZYMFOSYSFSUMW-OTNVDDIMSA-N 246.394 4.400 30 1 BIEF endogenous,in-man C=CCc1cccc(OCC)c1OCCC(C)C 103284729 CACLWQCSHWWJNO-UHFFFAOYSA-N 248.366 4.239 30 1 BIEF CC(C)=C1C[C@@]2(C)[C@@H](C)CCC[C@H]2CC1=O 15201139 HMLGXKHWABZSIS-HUBLWGQQSA-N 220.356 4.128 30 1 BIEF endogenous,in-man O/N=C1/CCCC/C1=C/C=C/c1ccccc1 102983343 NTZJGJWGZJESSH-OVBGRPKISA-N 227.307 4.030 30 1 BIEF C=N[C@@]1(C(C)C)CC2[C@@]3(C)CC[C@@]2(C)CC1C3 2356487282 VRULTZJTKVBCDC-SVXVCFNTSA-N 233.399 4.318 30 1 BIEF CC(C)=CCCC(C)=C1CC[C@]2(C)O[C@@H]2C1 2356556933 UFBLHNHPWIIREM-CABCVRRESA-N 220.356 4.391 30 1 BIEF Cc1ccc2ccc(-c3cccc(C#N)c3)cc2n1 28710045 RPEUOKKTGONULE-UHFFFAOYSA-N 244.297 4.082 30 1 BIEF in-vivo C=C1CC[C@@H]2[C@@H]([C@@H]3[C@@H](C)CC[C@H]13)C2(C)C 100780040 ITYNGVSTWVVPIC-MRTXSQPYSA-N 204.357 4.271 30 1 BIEF endogenous,in-man C=C1C/C=C\C(C)(C)C/C=C(/C)CC[C@H]1O 14441779 ZHCPVYWHSOILQL-LWRPEEJLSA-N 220.356 4.006 30 1 BIEF endogenous,in-man C=C1CCC2=C(C)CC[C@H](C(C)C)[C@@]2(C)[C@H]1O 2356759505 UYPQLBYLQLEOIU-VNQPRFMTSA-N 234.383 4.086 30 1 BIEF C=C1C=C2c3c(C)coc3C[C@H](C)[C@@H]2CC1 15153811 FWAMSVJFINPKEF-JQWIXIFHSA-N 214.308 4.130 30 1 BIEF biogenic C=C(C)[C@@H]1CCC(=O)C(C)=C2CC[C@@H](C)[C@@H]2C1 2356351599 AXHSUILLDJSUJT-KYOSRNDESA-N 232.367 4.294 30 1 BIEF CCCCCCCCCCOC(=O)S 53683305 RFWUWWWJCLPVPT-UHFFFAOYSA-N 218.362 4.194 30 1 BIEF in-vivo CC1=CC[C@]2(CC1)C(=C(C)C)C(=O)C[C@@H]2C 13307504 ZZDZYXINURVBJN-SWLSCSKDSA-N 218.340 4.048 30 1 BIEF biogenic CCCC#CC#C[C@@H](O)C=CCCCCCCC 2356752162 KIWXXCLBXNHHQU-QGZVFWFLSA-N 246.394 4.071 30 1 BIEF C=CC(=O)C#CC=CC=CC=CCCCCCC 2356688553 DTNFWVVBWUHBOW-UHFFFAOYSA-N 242.362 4.384 30 1 BIEF C=C(C=CCC(C)(C)O)[C@@H]1CC=C(C)CC1 2356784584 PERYRNAIUJFUDK-CQSZACIVSA-N 220.356 4.006 30 1 BIEF CCCCCCC/C=C1\SC(=S)N=C1O 42834577 HOHIZPVVJLQTBY-HJWRWDBZSA-N 243.397 4.219 30 1 BIEF in-vivo C=C1C=C[C@H]2[C@@H]3[C@H]1[C@]2(C)CC[C@@H]3C(C)C 104371005 ADVJSMBYHNLAGK-QKGCVVFFSA-N 202.341 4.047 30 1 BIEF endogenous,in-man CC(CS)=C1[C@H]2CC[C@@]2(C)[C@H]2CC[C@@H](C)[C@@H]12 2356424287 MOLPJMOYBINZPO-UYDZFFJVSA-N 236.424 4.325 30 1 BIEF C=CCCCCCCCC#CC#C/C=C\C(C)=O 15269392 BYMYEOMWXBDPSN-NXVVXOECSA-N 242.362 4.055 30 1 BIEF CC1=CCC[C@@]2(C)CC(=O)C(=C(C)C)C[C@H]12 103554430 LLUFBBLIDQULSW-HIFRSBDPSA-N 218.340 4.048 30 1 BIEF biogenic,in-vitro CC1=CCC[C@H]2O[C@]2(C)CC=CC(C)(C)C1 2356469353 JXRRJAPYKWLLHV-UKRRQHHQSA-N 220.356 4.247 30 1 BIEF C=C[C@@](C)(O)CCC=C(C)CCCC(=C)C 2356616438 XCQMKMYPKNZRCW-OAHLLOKOSA-N 222.372 4.396 30 1 BIEF C=C(C)[C@@H]1CC[C@](C)([C@H]2CC=C(C)CC2)O1 2356687027 AKAQULCXJUDSBA-SOUVJXGZSA-N 220.356 4.247 30 1 BIEF C=C1CC[C@]23[C@H]1[C@H]2[C@@H](C(C)C)CC[C@H]3C 59206502 FSRZGYRCMPZNJF-RYPNDVFKSA-N 204.357 4.271 30 1 BIEF in-vitro C=C1CC[C@H](C(=C)C)CC=C(C)CCC1=O 2356462409 QMEZKUJMSSOSEF-CQSZACIVSA-N 218.340 4.214 30 1 BIEF C=C1CCC[C@@H]2CCC[C@@H]3[C@H]([C@H]12)C3(C)C 2356711871 DWDYZEGXLHAWQJ-AAVRWANBSA-N 204.357 4.415 30 1 BIEF CC(C)=CC(=O)C[C@@H](C)[C@H]1CC=C(C)CC1 33829925 JMKIZKOSXIDGGX-KGLIPLIRSA-N 220.356 4.294 30 1 BIEF biogenic,in-vitro C=C1CC[C@H]2[C@@H](C)CC[C@H]3[C@@H]([C@@H]12)C3(C)C 104891379 IRCZVRWQUNZGSH-YGTGSIHKSA-N 204.357 4.271 30 1 BIEF C=C1CCCC(C)(C)[C@@H]1CC(=O)c1ccoc1 14638737 OLNXDVSHVILDLN-CYBMUJFWSA-N 232.323 4.235 30 1 BIEF biogenic C=C[C@]1(C)CC[C@@H]2[C@H]([C@@H]1C(=C)C)C2(C)C 100826402 LKQMMFFQYMYQOJ-QVHKTLOISA-N 204.357 4.437 30 1 BIEF endogenous,in-man CCCCC/C=C/C/C=C/CCCC=O 33820577 NGKCMQUFXPQZQW-AVQMFFATSA-N 208.345 4.438 30 1 BIEF in-vitro C#C/C=C/C/C=C\C/C=C\C/C=C\CC 59186448 UXCPLHLHLSGSJK-VOIDRNIDSA-N 200.325 4.425 30 1 BIEF CCCCCCCC/C=C/C=C\CCO 204808209 GWWPQBNGOIHGBF-PVHUKWJHSA-N 210.361 4.232 30 1 BIEF C=N[C@@]1(C)C[C@@H]2[C@H](C(C)C)C[C@]3(C)C[C@H]1C[C@H]23 238740942 RDTNXQLRWUWQGC-UKRFAEJPSA-N 233.399 4.174 30 1 BIEF C=C1[C@H]2CC[C@@H]([C@H]2OC)[C@@]1(C)C1CCCCC1 2356498048 HRBNCGSOQFTBBJ-FXUDXRNXSA-N 234.383 4.184 30 1 BIEF C=C[C@]1(C)CC[C@H](C(C)C)C(=O)C1=C(C)C 85664121 YMIHAYABXZORPU-IUODEOHRSA-N 220.356 4.150 30 1 BIEF endogenous,in-man C=C1CC[C@@H]2[C@H](CC[C@@]3(C)[C@@H](O)CC[C@H]23)C1(C)C 29477903 HKMSOXFYCYBRLW-LBKYZSNHSA-N 248.410 4.166 30 1 BIEF CC/C=C/C=C\C=C/C=C\CCCCC=O 217903365 ZSDGTOPNWLXOHV-QCSDTBEYSA-N 218.340 4.381 30 1 BIEF C(=Nc1ccccc1C1CC1)c1ccccc1 2356617890 WCHJSUBGEAEVJW-UHFFFAOYSA-N 221.303 4.315 30 1 BIEF C=CCc1cc(OCCCC)ccc1OCCC 103286099 UVNGHGCIEPQOKH-UHFFFAOYSA-N 248.366 4.383 30 1 BIEF C=C[C@]1(C)CCC[C@H](C)C(=O)[C@H]1C=C(C)C 238740662 FCBUZHIFBNFXDJ-GZBFAFLISA-N 220.356 4.150 30 1 BIEF C=C(C)[C@H]1CC=C(C)C2=CO[C@@H](c3ccco3)[C@@H]21 49033719 IUKXJCWMODXLKC-WQVCFCJDSA-N 242.318 4.393 30 1 BIEF C/C=C/C=C/C#CC/C=C\CCCCCC=O 204963007 CYFYPHAGTPJDOI-QAKIPNEESA-N 230.351 4.218 30 1 BIEF CCCCCCCC/C=C/C=C\CC(=O)O 62238051 YRUMHTHCEZRHTN-PVHUKWJHSA-N 224.344 4.324 30 1 BIEF C=C[C@]1(C)CC[C@@H]2[C@H]([C@H]1C(=C)C)C2(C)C 100826399 LKQMMFFQYMYQOJ-RGCMKSIDSA-N 204.357 4.437 30 1 BIEF endogenous,in-man C=C1CCC2=C(C)CC[C@H](C(C)C)[C@]2(C)[C@@H]1O 2356759503 UYPQLBYLQLEOIU-BMFZPTHFSA-N 234.383 4.086 30 1 BIEF O=C(C=Cc1ccco1)c1ccc2ccccc2c1 1857622887 MKNALJOPBHUVBL-UHFFFAOYSA-N 248.281 4.329 30 1 BIEF C=C1[C@@H]2CC[C@H]3[C@@H]2C(C)(C)CCC[C@@]13C 967548 PDSNLYSELAIEBU-XPCVCDNBSA-N 204.357 4.415 30 1 BIEF biogenic,in-vitro C/C1=C\CC[C@@]2(C)O[C@@H]2CC(C)(C)/C=C\C1 12153507 RKQDKXOBRXTSFS-FNFCFPHGSA-N 220.356 4.247 30 1 BIEF CCCCCCC[C@@H]1OC(=O)c2ccccc21 43589881 PSMIIZNPBOWPKW-AWEZNQCLSA-N 232.323 4.259 30 1 BIEF C=C1CC[C@@H]2C(C)=Cc3occ(C)c3C[C@H]12 2356634794 OBTNEYCNZNYGEG-CHWSQXEVSA-N 214.308 4.130 30 1 BIEF CCCCC1=C(c2ccc(F)cc2)/C(=N/O)CC1 115048400 MMWSAXXRDSBSMZ-SAPNQHFASA-N 247.313 4.394 30 1 BIEF C=N[C@]1(C)[C@H]2C[C@H]3C[C@@](C)(C2)[C@@H]1C[C@H]3C(C)C 2356431608 WXLVKPBZRJHHII-OJFNHCPVSA-N 233.399 4.174 30 1 BIEF C=C1[C@@H]2CC[C@]23C[C@H](C(C)C)CC[C@]13C 2356631612 IIKQEMDGVJYMGN-BARDWOONSA-N 204.357 4.415 30 1 BIEF C#CC1=CC[C@@]2(C)C(=C)CCC[C@]2(C)CC1 299868693 SFJIIRQBFLVPSN-CVEARBPZSA-N 214.352 4.483 30 1 BIEF CC[C@@H](C)c1ccc2[nH]c(CC#N)c(C)c2c1 587640955 HLSASSONUYFDIG-SNVBAGLBSA-N 226.323 4.056 30 1 BIEF C=C(CO)[C@H]1C/C=C(\C)CC/C=C(\C)CC1 15255638 NDZJCEAHBZKIDU-KGSGWQTPSA-N 220.356 4.008 30 1 BIEF biogenic,in-vitro CCCC1=C(c2ccc(F)cc2)/C(=N/O)CC1 35898459 CBSUZJRZOQRYJU-DTQAZKPQSA-N 233.286 4.003 30 1 BIEF N#Cc1ccc(-c2ccc3c(O)cccc3c2)cc1 66105167 XFPCBZFIUZHKTK-UHFFFAOYSA-N 245.281 4.084 30 1 BIEF C/C=C(/C)C(=O)c1coc2ccc(Cl)cc12 587275792 GDAPNZASAAUWKV-BAQGIRSFSA-N 234.682 4.235 30 1 BIEF CC1=C[C@@H]2C(C)(C)CCC[C@]3(C)O[C@@]23CC1 2356330073 FDCRKPAGAMPEAD-SNPRPXQTSA-N 220.356 4.081 30 1 BIEF C=C1CC[C@@H]2[C@H](CC[C@]3(C)[C@@H](O)CC[C@@H]23)C1(C)C 253633077 HKMSOXFYCYBRLW-MDLJMBGESA-N 248.410 4.166 30 1 BIEF C=C(C(=O)O)[C@@H]1CC=C(C)CCC=C(C)CC1 2356583068 IBJVPIJUFFVDBS-AWEZNQCLSA-N 234.339 4.100 30 1 BIEF C=C1CC[C@@H]2[C@@H]([C@H]3C(C)=CC[C@@H]13)C2(C)C 100780031 HDUMORZKKNOYSS-CRWXNKLISA-N 202.341 4.191 30 1 BIEF endogenous,in-man C=C1CC[C@H]2C[C@@]3([C@@H](C)CC[C@H]13)C2(C)C 2356450077 HOMAFFTYQJEIDP-XPCVCDNBSA-N 204.357 4.415 30 1 BIEF CCCCCCCC[C@@H](C)/C=C(\C)C(=O)O 102180920 OHVNJWXMFIBONR-RVROTUBLSA-N 226.360 4.404 30 1 BIEF C=C1CC[C@@H]2O[C@]2(C)CC[C@@]2(C)[C@H]1CC2(C)C 2356646173 RSYBQKUNBFFNDO-DARAHFNDSA-N 234.383 4.327 30 1 BIEF C=C[C@H](O)C#CC/C=C\C=C/CCCCCCC 238763072 KKAHGGJBKUXDNQ-FGZFJHLVSA-N 246.394 4.400 30 1 BIEF C=C1CC[C@H]2[C@H]1[C@@H]1[C@H](C(C)C)CC[C@]21C 59064308 YIRAHEODBQONHI-YYFQZIEXSA-N 204.357 4.271 30 1 BIEF in-man CC/C=C/C=C/C=C/C=C/CCCCC=O 33820580 ZSDGTOPNWLXOHV-BYFNFPHLSA-N 218.340 4.381 30 1 BIEF CCCCCCCCC/C=C/C=C/C(=O)OC 85922314 WBVDAGWICYRIQQ-LDHFCIDVSA-N 238.371 4.413 30 1 BIEF C=C[C@]1(C)CCC[C@@H](C)C(=O)[C@@H]1C=C(C)C 2356599567 FCBUZHIFBNFXDJ-VNHYZAJKSA-N 220.356 4.150 30 1 BIEF C=C1CC[C@@H]2[C@H]([C@H]3C1=CC[C@H]3C)C2(C)C 2356329175 WILLVGWOOMVDNT-FMKGYKFTSA-N 202.341 4.191 30 1 BIEF C=C1C=C[C@@H]([C@](C)(O)CCC=C(C)C)CC1 13377579 RDSMIFXZAITLNM-HUUCEWRRSA-N 220.356 4.006 30 1 BIEF biogenic CC/C=C/[C@H](CC)C/C(C)=C/C(=O)CC 15205328 ADALNYBEFSIJHR-IFDFXXKQSA-N 208.345 4.294 30 1 BIEF C=C/C=C\CCCCCCCCCC=O 59725503 SZDKVVYLPIWQLJ-ARJAWSKDSA-N 208.345 4.438 30 1 BIEF CC[C@H](C)c1ccc2[nH]c(C3CC3)c(C#N)c2c1 587644094 ZTMNCRWLAVGZDC-JTQLQIEISA-N 238.334 4.430 30 1 BIEF Cc1c([C@H](C)C#N)[nH]c2c(C)cc(Cl)cc12 587624771 QYMHLXGDFPRZLA-MRVPVSSYSA-N 232.714 4.065 30 1 BIEF C=N[C@]1(C)CCC(C(C)C)=C[C@@H]2[C@@H](C)CC[C@H]21 2356534240 HUHDWKHAQNMWGU-LCGIIJARSA-N 233.399 4.484 30 1 BIEF C=C1CC/C=C(C)\C=C/c2c(C)coc2C1 14559759 RYMNYQJCUJGMFN-RNNYEWFJSA-N 214.308 4.440 30 1 BIEF C=C1CC[C@H]2C[C@@H]3[C@@H](C)CC[C@@]13C2(C)C 85618487 SLTLKLCDQWGISZ-MUYACECFSA-N 204.357 4.415 30 1 BIEF in-vitro C=C[C@@](C)(O)CCC[C@@H](C)CCC=C(C)C 13538763 NZWVRMHQZPQHLI-LSDHHAIUSA-N 224.388 4.476 30 1 BIEF biogenic C=C1CC[C@@H]2[C@@H](CC2(C)C)C(=C)CCC1=NO 2356697662 LAVOESILOACOFW-QWHCGFSZSA-N 233.355 4.165 30 1 BIEF C=CCCC[C@H]1CCC[C@H](CCCCC)N1 15121888 PUPRMDZKLKQJOS-GJZGRUSLSA-N 223.404 4.434 30 1 BIEF biogenic CC(C)=C1CC2=C(CC[C@@H]2C)[C@@H](C)CC1=O 15264547 WJQUHMZHLUTNPJ-QWRGUYRKSA-N 218.340 4.048 30 1 BIEF endogenous,in-man C=N[C@]1(C)C[C@@H]2[C@H](C(C)C)C[C@]3(C)C[C@H]1C[C@@H]23 2356559998 RDTNXQLRWUWQGC-YUDUXTHKSA-N 233.399 4.174 30 1 BIEF C=C[C@@](C)(O)CC=CC(=C)CCC=C(C)C 2356437395 QYOAJBZJIIFSBC-OAHLLOKOSA-N 220.356 4.172 30 1 BIEF CC(C)CC1=C(C(=O)c2ccoc2)C[C@H](C)C1 5760458 ROMXQUBLTVIACV-LLVKDONJSA-N 232.323 4.235 30 1 BIEF biogenic CC(C)=C1CC2=C(C)CCC[C@]2(C)CC1=O 15206907 NNSAURXTYJMJBI-OAHLLOKOSA-N 218.340 4.192 30 1 BIEF biogenic C=CC(=C)CC/C=C(\C)CC/C=C(\C)CO 217623309 HEOUOQSFBDQSMB-YFVJMOTDSA-N 220.356 4.174 30 1 BIEF CCCCCCCCCCCC#CCC(=O)O 102182435 JXPFDNOLLLAYDO-UHFFFAOYSA-N 238.371 4.385 30 1 BIEF CC(=Cc1cccs1)C(=O)c1ccccc1 1857742245 LEPLJTISNLVVQD-UHFFFAOYSA-N 228.316 4.034 30 1 BIEF CCCC[C@H](C#N)c1ccc(Cl)cc1F 95873008 FRWVGROGVAWBPM-SECBINFHSA-N 225.694 4.276 30 1 BIEF CCCCCCC=CCc1cc(O)cc(O)c1 2356553313 VKWFGJNPZKSIEL-UHFFFAOYSA-N 234.339 4.167 30 1 BIEF CCCCCCCC[C@H](C)/C=C(\C)C(=O)O 102180924 OHVNJWXMFIBONR-OWRWYXLESA-N 226.360 4.404 30 1 BIEF C/C=C/C#CC#CC/C=C\CCCCCCC=O 221230462 SGSOBSVIWVCZSE-ZKAKZSDCSA-N 242.362 4.055 30 1 BIEF C=C1C=C[C@H]([C@@H](C)CC[C@H]2OC2(C)C)CC1 13377501 KUMXAXTZJVESSY-MELADBBJSA-N 220.356 4.103 30 1 BIEF biogenic C/C(=C\c1ccccc1)C(=O)/C=C/c1ccccc1 39207307 VZXBHDUKADILLK-SQIWNDBBSA-N 248.325 4.372 30 1 BIEF C=C1C=C[C@@H]2[C@@H]3[C@H](C(C)C)CC[C@@]2(C)[C@H]13 100781012 ADVJSMBYHNLAGK-XPABHHOTSA-N 202.341 4.047 30 1 BIEF endogenous,in-man C=C1CC[C@H]2[C@H]3[C@@H]1[C@]2(C)CCCC3(C)C 238737858 DQOVXHMHLOWECL-SFDCQRBFSA-N 204.357 4.415 30 1 BIEF biogenic,in-vitro C=C1CC[C@@H]2[C@@H](C1)Cc1occc1C2(C)C 15222170 FVUXXIFTPFHLIQ-NWDGAFQWSA-N 216.324 4.086 30 1 BIEF biogenic C=CCOc1c(CC=C)cccc1OCCCC 103286518 OKRYDEMOTHMTCP-UHFFFAOYSA-N 246.350 4.159 30 1 BIEF CCCCCCCCCCCn1ccnc1 43307636 PKCPMTJMGADWTA-UHFFFAOYSA-N 222.376 4.414 30 1 BIEF CC=CC=CC#CC=CC=CCCCCCC=O 2356692135 LIRHSECKYIWWMK-UHFFFAOYSA-N 242.362 4.384 30 1 BIEF CC(C)=CC(=O)C/C(C)=C/CCc1ccoc1 15221777 UFGQHNWFUWHNSS-WLRTZDKTSA-N 232.323 4.084 30 1 BIEF endogenous,in-man C=CC[C@H](Nc1ccccc1)c1ccsc1 29058219 RFGXXMVJINSMBC-AWEZNQCLSA-N 229.348 4.477 30 1 BIEF C=C1[C@H]2CC[C@H]3[C@@H]2[C@@H](C(C)C)CC[C@@]13C 100196868 VOBBUADSYROGAT-QMIVOQANSA-N 204.357 4.271 30 1 BIEF in-vitro CCCCCCCC[C@@]1(C)SC(O)=CC1=O 101001184 CELMYHBQPKDYEU-CYBMUJFWSA-N 242.384 4.211 30 1 BIEF C=C(C)[C@@H]1CCC[C@@H](C)[C@@H]2CC(=O)C(C)=C2C1 2356340179 IXPUBQZANWHZIX-BNOWGMLFSA-N 232.367 4.294 30 1 BIEF CCc1c(CC#N)[nH]c2ccc([C@@H](C)CC)cc12 587639860 AABASQMHQPSJFX-NSHDSACASA-N 240.350 4.310 30 1 BIEF C=C1C[C@H]2C=C[C@@]3(C[C@H](C)C[C@H]13)[C@@H]1[C@H]2C1(C)C 2356515861 DOHWJOOELSKDKQ-HVCLVNRYSA-N 228.379 4.437 30 1 BIEF Clc1cccc(Cl)c1/C=N/c1ccco1 103219538 KDNDHQYSWCUXBW-VGOFMYFVSA-N 240.089 4.337 30 1 BIEF C/C(CS)=C1\[C@H]2[C@H](CC[C@H]2C)[C@@]2(C)CC[C@@H]12 103231053 MOLPJMOYBINZPO-JJLDBEOISA-N 236.424 4.325 30 1 BIEF C=C1CCCC(C)(C)[C@H]1CC/C(C)=C\CO 15120089 CXSCXELZZLVZJP-UQTJOTSZSA-N 222.372 4.088 30 1 BIEF CCCCCCCCC=CC=C[C@@H](C)N 2356604263 WCUPLXASCCDKJN-CQSZACIVSA-N 209.377 4.197 30 1 BIEF C=C1CCC[C@]2(C)CC[C@H]3[C@@H]([C@@H]12)C3(C)C 166392023 YLHIMAHFOWREAD-SFDCQRBFSA-N 204.357 4.415 30 1 BIEF C=CCCCCC/C=C/C=C/CCCO 238777694 BMUOQNDSVXIXIV-BNFZFUHLSA-N 208.345 4.008 30 1 BIEF C=C(C)[C@@H]1CCC[C@]2(C)O[C@]23CC[C@@H](C)[C@@H]3C1 2356364650 ZOSBJLACINPYIM-OWYFMNJBSA-N 234.383 4.327 30 1 BIEF CCCCCCCC[C@@H](C)C/C=C/C(=O)O 102180876 HRQKXMSCZPCUSK-CNELAYHGSA-N 226.360 4.404 30 1 BIEF C=CC(=C)CC[C@]1(C)[C@@H](C)CCC(=O)[C@H]1C 238765740 VUUNGTQYCBZQDW-GZBFAFLISA-N 220.356 4.150 30 1 BIEF C/C1=C/CC(C)(C)/C=C\C[C@@]2(C)O[C@@H]2CC1 15161370 QTGAEXCCAPTGLB-SGRRRNBRSA-N 220.356 4.247 30 1 BIEF endogenous,in-man C=CC(C)(C)c1cc(O)c(CC=C(C)C)cc1O 71329711 JNPXKIOGCPMNPZ-UHFFFAOYSA-N 246.350 4.070 30 1 BIEF C=CCCCC=CC=CC#CC#CC=CC 2356665564 MVFRJDHLQUFDRS-UHFFFAOYSA-N 210.320 4.038 30 1 BIEF C=C(C)/C=C/C/C(C)=C/CC/C(C)=C\C(=O)OC 238787725 CIUAVLQXCZTUGX-BNCBZRBISA-N 248.366 4.355 30 1 BIEF N#Cc1c(C2CCC2)[nH]c2cc(Cl)c(F)cc12 587630141 FHRIXMKCQPOYRS-UHFFFAOYSA-N 248.688 4.100 30 1 BIEF C=C1CC[C@@H]2O[C@@]23CCC[C@@H](C3)[C@H]2[C@@H]1CC2(C)C 2356741106 KQMYIFYTDKKQMM-CEEVZKBLSA-N 246.394 4.327 30 1 BIEF C=C1CC[C@H]2[C@@H]3[C@H](C(C)C)CC[C@]2(C)[C@H]13 100087582 UPVZPMJSRSWJHQ-LXFSFDBISA-N 204.357 4.271 30 1 BIEF in-vitro C/C=C/C#CC#C/C=C/CCCCC(=O)CCC 238772078 IIFDEYOLAIRRBS-SALZOXGJSA-N 242.362 4.055 30 1 BIEF CCCCC=C1C(=O)[C@@]2(C)CC[C@H]1C2(C)C 2356319198 MHLPLEGMHZLGAN-IUODEOHRSA-N 220.356 4.128 30 1 BIEF C=N[C@]1(C)CCC(C(C)C)=C[C@H]2[C@@H]1CC[C@H]2C 2356534137 HUHDWKHAQNMWGU-DMRZNYOFSA-N 233.399 4.484 30 1 BIEF C=C[C@]1(C)CC[C@@H]2C(=C)CC[C@H](C)[C@]2(C)O1 14954323 BYFHCTPWRGQRAG-YJNKXOJESA-N 220.356 4.103 30 1 BIEF biogenic CCCCCCC[C@@]1(C)SC(O)=C(C)C1=O 101074579 VCPCARKVCMIGCF-CYBMUJFWSA-N 242.384 4.211 30 1 BIEF C=C(C)[C@@H]1CCC[C@]2(C)O[C@]23CC[C@H](C)[C@@H]3C1 2356364653 ZOSBJLACINPYIM-QRJUGERDSA-N 234.383 4.327 30 1 BIEF C[C@@H]1CCCC2=C[C@H](C#N)[C@@H]3[C@H](C3(C)C)[C@@]21C 2356626566 CHWSGROQUOSJCE-PSDNQQDLSA-N 229.367 4.165 30 1 BIEF C/C(CS)=C1/[C@H]2[C@H](CC[C@H]2C)[C@@]2(C)CC[C@@H]12 238784605 MOLPJMOYBINZPO-XGFCOGNNSA-N 236.424 4.325 30 1 BIEF C=C1CC[C@@H]2[C@@H]1[C@@H]1[C@H](C(C)C)CC[C@]12C 256989991 YIRAHEODBQONHI-QRTUWBSPSA-N 204.357 4.271 30 1 BIEF endogenous,in-man C=C[C@]1(C)CC[C@@H](C(=C)COC)C[C@H]1C(=C)C 40834932 LZGICWHALDMBMF-OWCLPIDISA-N 234.383 4.374 30 1 BIEF C=C1CC[C@](C)([C@@H]2C[C@@H]3C(C)=C[C@@H]32)[C@@H]1C 2356378778 WHGLQEZJYTZGDZ-QMIVOQANSA-N 202.341 4.191 30 1 BIEF C=C1CC[C@](C)([C@@H]2C[C@@H]3C(C)=C[C@@H]32)[C@H]1C 2356378780 WHGLQEZJYTZGDZ-ZQNQSHIBSA-N 202.341 4.191 30 1 BIEF CCCCCC/C=C/c1ccc(C(=O)O)cc1 14980560 JTHZAVVKBXFKBL-BQYQJAHWSA-N 232.323 4.368 30 1 BIEF C#CC#CC#CC/C=C\CCCCCCC=C 238777928 IPBUQXVIRAJVIC-ICFOKQHNSA-N 224.347 4.099 30 1 BIEF C=CCc1cc(OCC)ccc1OCCC(C)C 103287435 KLODMCWKMKZRIF-UHFFFAOYSA-N 248.366 4.239 30 1 BIEF CC1=C(C(=O)Cc2ccccc2)C(C)(C)CCC1 1857645236 HSSGJAUIRHCETD-UHFFFAOYSA-N 242.362 4.325 30 1 BIEF C=C(CC=CC(C)(C)O)[C@H]1CC=C(C)CC1 2356644138 UMHJVDDWUSONQN-AWEZNQCLSA-N 220.356 4.006 30 1 BIEF C=C1CC[C@@H]2[C@H]([C@@H]3C(C)=CC[C@@H]13)C2(C)C 230085858 HDUMORZKKNOYSS-REWJHTLYSA-N 202.341 4.191 30 1 BIEF endogenous,in-man C=CCCCCCCCC#CC#C/C=C/C(C)=O 15269395 BYMYEOMWXBDPSN-FOCLMDBBSA-N 242.362 4.055 30 1 BIEF CC(C)=CCC=C(C)[C@@H]1CC[C@@]2(C)O[C@@H]2C1 2356372317 BOWJPMUUGHPAAF-RBSFLKMASA-N 220.356 4.247 30 1 BIEF C=C1CC[C@H]2[C@@H]3[C@@H](C(C)C)CC[C@@]2(C)[C@@H]13 100202761 UPVZPMJSRSWJHQ-CAEXGNQWSA-N 204.357 4.271 30 1 BIEF in-vitro C=C1CC[C@@H]2[C@H]3[C@H](C(C)C)CC[C@]2(C)[C@H]13 100203427 UPVZPMJSRSWJHQ-JARUQAPTSA-N 204.357 4.271 30 1 BIEF in-vitro C=C1CC[C@@](C)(c2ccc(CC(C)=O)cc2)[C@H]1C 238745014 RBJCZCSTKCAHJC-WMLDXEAASA-N 242.362 4.062 30 1 BIEF C=CC1=C2C[C@H](C(=C)C)CC[C@]2(C)C[C@H](O)C1 2356657617 ODLUJUIUQUTYMQ-IIAWOOMASA-N 232.367 4.006 30 1 BIEF C=C1CC[C@]23C[C@H]1C(C)(C)[C@H]2CC[C@H]3C 85599054 DYLPEFGBWGEFBB-RGCMKSIDSA-N 204.357 4.415 30 1 BIEF C=C(C)[C@@H]1CCCC(C(=O)O)=C2CC[C@H](C)[C@H]2C1 2356404652 TUBOXLVGLLONIH-YWPYICTPSA-N 248.366 4.180 30 1 BIEF C=C(C)[C@H]1CC[C@H](C)c2ccc(C)nc2C1 15265307 RVJOTNIWFWVNRS-AAEUAGOBSA-N 215.340 4.022 30 1 BIEF biogenic CCCC/C=C/C(=O)c1coc2ccccc12 587280628 NPALXQHPEGBTGA-WEVVVXLNSA-N 228.291 4.362 30 1 BIEF C[C@H]1CC[C@]2(C#N)[C@@H](C)CC[C@H]3[C@@H]([C@@H]12)C3(C)C 238774037 TZTAUYZWUIVIIT-GSTZKUONSA-N 231.383 4.245 30 1 BIEF C=C1C=C[C@H](C(C)C)CCC(=C)C(=O)CC1 2356539120 DCXWDHRJJUEDIX-AWEZNQCLSA-N 218.340 4.070 30 1 BIEF CCCCCCCCCCC=CC(=O)OC 2356637065 FZKILUWDXTYCDR-UHFFFAOYSA-N 226.360 4.246 30 1 BIEF C=CCCCC[C@@H]1CC[C@@H](CCCCC)N1 13437553 OIWAVEMUOWGFIX-HUUCEWRRSA-N 223.404 4.434 30 1 BIEF biogenic C=C[C@](C)(O)CC=C[C@@H](C)CC=CC(=C)C 2356657704 QQTBOCIWZDVCSA-GJZGRUSLSA-N 220.356 4.028 30 1 BIEF C=C1C=C[C@@H]([C@@H](C)CC(=O)C=C(C)C)CC1 3645382 JIJQKFPGBBEJNF-UONOGXRCSA-N 218.340 4.070 30 1 BIEF endogenous,in-man C#CC#CC#CC/C=C/CCCCCCC=C 238738913 IPBUQXVIRAJVIC-BMRADRMJSA-N 224.347 4.099 30 1 BIEF C=C1CC[C@@H]2[C@H]([C@H]3C(C)=CC[C@H]13)C2(C)C 257432961 HDUMORZKKNOYSS-YIYPIFLZSA-N 202.341 4.191 30 1 BIEF endogenous,in-man CC1=C[C@@]2(CC=O)CCCC(C)(C)[C@H]2CC1 14557458 KBOSOCFVHDLFBV-HIFRSBDPSA-N 220.356 4.128 30 1 BIEF biogenic C=C1/C=C/c2c(C)coc2C/C(C)=C/CC1 136744640 RUCGLEIOAIGXFL-GEMHQFTISA-N 214.308 4.440 30 1 BIEF C/C(=C\c1ccccc1C#N)c1ccccc1 1857628728 KQYPRAXHTDGUSX-ACCUITESSA-N 219.287 4.119 30 1 BIEF C/C(=N/O)c1ccc2c(c1)C(C)(C)CCC2(C)C 128910 GTSIYLVKCYDJHQ-BOPFTXTBSA-N 245.366 4.234 30 1 BIEF C=CC(=C)CCC=C(C)COC(=O)CC(C)C 2356645105 FTVXQTWXHVLVBY-UHFFFAOYSA-N 236.355 4.044 30 1 BIEF c1ccc([C@@H]2O[C@@H]2c2ccc3ccccc3n2)cc1 13283851 XNCXXBJNNNWPES-DLBZAZTESA-N 247.297 4.047 30 1 BIEF C=C(CCC=C(C)C)[C@@H]1CC=C(CO)CC1 13377609 AWXTUFPUJSQYGO-OAHLLOKOSA-N 220.356 4.008 30 1 BIEF biogenic C=C[C@@](C)(O)CCC=C(C)CCC=CC 2356725668 JZPSVKNNQBSUFG-CQSZACIVSA-N 208.345 4.006 30 1 BIEF CC1=CC[C@@]2(CC1)C(=C(C)C)C(=O)C[C@H]2C 13307498 ZZDZYXINURVBJN-DOMZBBRYSA-N 218.340 4.048 30 1 BIEF biogenic CC=CC=CC#CCC=CCCCCCC=O 2356459229 CYFYPHAGTPJDOI-UHFFFAOYSA-N 230.351 4.218 30 1 BIEF C=CC(=C)CCC=C(C)CCC=C(C)CO 2356462123 HEOUOQSFBDQSMB-UHFFFAOYSA-N 220.356 4.174 30 1 BIEF CC1=C2C(=O)[C@@H](C(C)C)CC[C@]2(C)CCC1 111960570 LRSNSCWFOBGPBP-DOMZBBRYSA-N 220.356 4.128 30 1 BIEF C=C1CCC2=C(C)CC[C@H]3[C@@H]([C@@H]12)C3(C)C 85739004 OBPKUBNSEKJPHY-IHRRRGAJSA-N 202.341 4.335 30 1 BIEF biogenic,in-vitro C/C(=N\Nc1nc2c(C)cccc2s1)C(C)C 103295673 USSSDGIHKDXNMQ-XNTDXEJSSA-N 247.367 4.049 30 1 BIEF C=C(C)[C@]12CCC[C@@]3(C)[C@@H](C)[C@@H](C[C@@H]13)C2 2356397881 JUHRSPWNQHCFEL-SBJFKYEJSA-N 204.357 4.415 30 1 BIEF CCCCCCCCC[C@@H](C)CC(=O)OC 2356660098 DQZFMUMNBXBWKT-CYBMUJFWSA-N 228.376 4.326 30 1 BIEF CC(C)CC(=O)C1=C(c2ccoc2)CC[C@H]1C 14611747 IMIDUSPPISKIMX-LLVKDONJSA-N 232.323 4.078 30 1 BIEF biogenic C/C(=N\[C@@H]1C[C@@H]2CC[C@@H]1C2)Nc1ccccc1C 100814812 UXGVBEZDJTXWGO-IIAWOOMASA-N 242.366 4.014 30 1 BIEF C=CC(=O)Oc1ccc(CCCCCCC)cc1 14968997 ICRSTIJMYJNGCE-UHFFFAOYSA-N 246.350 4.291 30 1 BIEF C#C/C=C\CCCCCCCC/C=C\C#C 140498618 UMWPLZIRFJHHGK-SFECMWDFSA-N 214.352 4.486 30 1 BIEF C=C[C@@]1(C)CC[C@@H]2C(C)(C)CCC[C@@]2(C)O1 238756165 GRDWJTGVDHHNNH-VHDGCEQUSA-N 222.372 4.327 30 1 BIEF CC1=CCC[C@@H]2O[C@]2(C)CC=CC(C)(C)C1 2356469351 JXRRJAPYKWLLHV-DZGCQCFKSA-N 220.356 4.247 30 1 BIEF CCC(CC)c1[nH]c2cc(F)ccc2c1C#N 587635128 HEZOXDJKVMSILG-UHFFFAOYSA-N 230.286 4.082 30 1 BIEF C=C[C@@](C)(O)CC=CC(C)=CCCC(=C)C 2356423812 KXWFKKHUJPRJDG-OAHLLOKOSA-N 220.356 4.172 30 1 BIEF C=C1CC[C@H]2C(C)(C)[C@@H]3C[C@]12CC[C@@H]3C 2356764562 QQKZQCZZXKSVPR-QMPIGLIWSA-N 204.357 4.415 30 1 BIEF CC(C)=C1C(=O)CC[C@@H](C)[C@H]2CCC(C)=C12 14887589 OONKKRRSPIDEBA-ZYHUDNBSSA-N 218.340 4.048 30 1 BIEF biogenic C=C1C=C[C@@]2(C)CCCC(C)(C)[C@@]23C[C@@H]13 85541057 XOPQCMQCJQEISN-CFVMTHIKSA-N 202.341 4.335 30 1 BIEF biogenic,in-vitro C=CCOc1ccc(OCCCC)cc1CC=C 98085628 LCFDPNWRLYJFDZ-UHFFFAOYSA-N 246.350 4.159 30 1 BIEF CC1=CC[C@]2(C)CCC(C)(C)CC2=CC1=O 14718210 OZPMXIYTJXWCBY-OAHLLOKOSA-N 218.340 4.048 30 1 BIEF biogenic C=C1CC/C=C(C)/C=C\c2c(C)coc2C1 212688599 RYMNYQJCUJGMFN-LTCQKBRTSA-N 214.308 4.440 30 1 BIEF C=C(C)[C@@H]1C/C=C(\C)CC/C=C(\C)CC1=O 238750875 ZVSZHMFUICOVPY-OZYJHPDRSA-N 218.340 4.214 30 1 BIEF C=C/C(C)=C/C=C/[C@@](C)(O)CCCC(=C)C 238759001 LSUUSRKHODHNSS-RZWNWLPBSA-N 220.356 4.172 30 1 BIEF C=C1CCC[C@@]2(C)CC(=O)C(=C(C)C)C[C@H]12 15207488 NKGSEACIYQINQJ-HIFRSBDPSA-N 218.340 4.048 30 1 BIEF biogenic C=C1CC[C@@H]2O[C@@]23CCC[C@@H](C3)[C@H]2[C@H]1CC2(C)C 2356741108 KQMYIFYTDKKQMM-WNZSCWOMSA-N 246.394 4.327 30 1 BIEF C=C(C)[C@H]1[C@@H]2[C@@H](C)CC[C@@H]3[C@H](C)CC[C@]213 85916640 ZNVSGENNKBLLJB-BYGOPZEFSA-N 204.357 4.271 30 1 BIEF in-man C=C1CC[C@@H]2[C@H](CC[C@@]3(C)[C@H]2CC[C@H]3O)C1(C)C 169312399 HKMSOXFYCYBRLW-HNLJFRNMSA-N 248.410 4.166 30 1 BIEF CCCC#CC#C/C=C/C=C/CCC(=O)CCC 238758683 ZSSHJLKMBRGDGM-AQASXUMVSA-N 242.362 4.055 30 1 BIEF C=C(C)[C@H]1CC[C@@]2(C)CC(CNC)=CC(C)=C2C1 2356368385 LEMNXGGNIKMILQ-RDJZCZTQSA-N 245.410 4.235 30 1 BIEF C=CC(C)=CC=C[C@@](C)(O)CCCC(=C)C 2356607549 LSUUSRKHODHNSS-HNNXBMFYSA-N 220.356 4.172 30 1 BIEF CCCCC[C@@H](C)[C@]1(C)SC(O)=C(C)C1=O 101032654 KTIDVKONMNLGRG-RNCFNFMXSA-N 242.384 4.067 30 1 BIEF C=CCCC/C=C/C=C/C#CC#C/C=C/C 238769773 MVFRJDHLQUFDRS-WOQWWRFKSA-N 210.320 4.038 30 1 BIEF C=CC(C)(C)c1nc2cccc(C(C)(C)C)c2[nH]1 587955579 QLBLUKLWFTVDID-UHFFFAOYSA-N 242.366 4.324 30 1 BIEF C=C[C@](C)(CCC=C(C)C)CC(=O)C=C(C)O 2356553414 YRLJSBXZSSZANV-OAHLLOKOSA-N 236.355 4.346 30 1 BIEF C/C1=C\CC[C@@]2(C)O[C@@H]2CC(C)(C)/C=C/C1 12153509 RKQDKXOBRXTSFS-UOAUIWSESA-N 220.356 4.247 30 1 BIEF biogenic,in-vitro C=C1CC=CC(C)(C)CC=C(C)CC[C@H]1O 2356635475 ZHCPVYWHSOILQL-CQSZACIVSA-N 220.356 4.006 30 1 BIEF CCCCCCC[C@H](C)CC[C@H](C)C(=O)O 85642747 ABQDDNHUZOOWMZ-STQMWFEESA-N 228.376 4.484 30 1 BIEF C=C(C)[C@@H]1CC[C@]2(C)CCC(=O)C[C@]2(C)C1 5081095 VESUMYPXHVXDJI-YUELXQCFSA-N 220.356 4.128 30 1 BIEF endogenous,in-man C=CCCC[C@H]1CCC[C@@H](CCCCC)N1 15121887 PUPRMDZKLKQJOS-LSDHHAIUSA-N 223.404 4.434 30 1 BIEF biogenic CCCCCCC/C=C/CCCCCO 136877968 MVQIAKPRNQLLOQ-CMDGGOBGSA-N 212.377 4.456 30 1 BIEF C/C=C/C#CC#CC/C=C\CCCCC 205244696 ARGYHLZVOXAFDW-SQMYGYJMSA-N 200.325 4.096 30 1 BIEF C=C[C@H](O)C=CC#CCC=CCCCCCCC 2356562711 AZYMFOSYSFSUMW-KRWDZBQOSA-N 246.394 4.400 30 1 BIEF C=CCCC[C@@H]1CC[C@@H](CC)[C@@H]2CCCCN21 28952546 FQWJPZCVYRLSLI-OAGGEKHMSA-N 235.415 4.386 30 1 BIEF C#CCC=CCC=CCC=CCC=CC 2356403163 ARCMPTSGGFWPHN-UHFFFAOYSA-N 200.325 4.425 30 1 BIEF CCCCCCCCC=C=C/C=C/C(=O)OC 100124176 JHJVZZKILRZRKO-BUHFOSPRSA-N 236.355 4.178 30 1 BIEF C#CCCCC=CCCCCc1cccc(O)c1 2356797838 ONAACYBLFDMUOW-UHFFFAOYSA-N 242.362 4.465 30 1 BIEF C=CCC(C)(C)c1nc2c(C)ccc(C)c2[nH]1 587954481 WWTUMISMGMFXML-UHFFFAOYSA-N 228.339 4.033 30 1 BIEF C=N[C@]1(C)C[C@H]2[C@@H]3C[C@@H]1C[C@@]3(C)C[C@@H]2C(C)C 2356559996 RDTNXQLRWUWQGC-FGZZBPHYSA-N 233.399 4.174 30 1 BIEF CC=CC=CC#CCC=CCCCCCCO 2356744871 NPTZZEDKCGUJHK-UHFFFAOYSA-N 232.367 4.011 30 1 BIEF C=C(CC)C(=O)c1coc2ccc(Cl)cc12 587275538 BJLZXLNAVMXWDE-UHFFFAOYSA-N 234.682 4.235 30 1 BIEF C=C[C@@]1(C)C[C@H]2C=C(C)CC[C@H]2C(C)(C)O1 13380906 NIGRJVWIKNICMW-NFAWXSAZSA-N 220.356 4.103 30 1 BIEF in-man C=C1C=C[C@H]([C@H](C)CC[C@@H]2OC2(C)C)CC1 13377504 KUMXAXTZJVESSY-RDBSUJKOSA-N 220.356 4.103 30 1 BIEF biogenic C=C1CC[C@H]2C[C@@H]3[C@@H](C)CC[C@]13C2(C)C 100193693 SLTLKLCDQWGISZ-DNVSUFBTSA-N 204.357 4.415 30 1 BIEF in-vitro CCCC#CC#C[C@@H](O)/C=C\CCCCCCC 137686336 KIWXXCLBXNHHQU-YHKKIHSWSA-N 246.394 4.071 30 1 BIEF C=N[C@H]1C[C@H]2[C@H]3C[C@@]1(C)C[C@@]2(C)C[C@@H]3C(C)C 2356709510 IAXXENPNKIEPSX-GWNLFYIMSA-N 233.399 4.174 30 1 BIEF CC(=O)C=C(O)C(CC=C(C)C)CC=C(C)C 2356769995 TVNMOCBBNOUQNC-UHFFFAOYSA-N 236.355 4.346 30 1 BIEF C=C[C@]1(C)CC[C@@H](C(C)C)C(=O)C1=C(C)C 95536915 YMIHAYABXZORPU-SWLSCSKDSA-N 220.356 4.150 30 1 BIEF endogenous,in-man C=C1CC[C@@H](C)[C@@]2(C)C[C@H]3[C@H]4C[C@@]12C[C@@]34C 263638224 SQNCNPSIELBAFJ-IOIVRQTOSA-N 216.368 4.415 30 1 BIEF C=C1CC[C@H]2C[C@]3([C@H]1CC[C@H]3C)C2(C)C 2356450076 HOMAFFTYQJEIDP-OSFYFWSMSA-N 204.357 4.415 30 1 BIEF C=C1[C@H]2CC[C@H](C2)[C@@H]2C[C@@H](C(C)C)C[C@H]12 238775467 DFUVGLKCFAASAU-ZQNQSHIBSA-N 204.357 4.271 30 1 BIEF C=N[C@]1(C)C[C@H]2[C@@H]3C[C@@H]1C[C@]3(C)C[C@@H]2C(C)C 2356559997 RDTNXQLRWUWQGC-YTQIUSBHSA-N 233.399 4.174 30 1 BIEF C=C1CC[C@](C)(c2ccc(CC(C)=O)cc2)[C@H]1C 2356584035 RBJCZCSTKCAHJC-YOEHRIQHSA-N 242.362 4.062 30 1 BIEF C=C[C@](C)(O)CCC=CCCC=C(C)C 2356753762 BLWFGFXUISFSJL-AWEZNQCLSA-N 208.345 4.006 30 1 BIEF C=C1C=C[C@H]([C@@H](C)CC(=O)C=C(C)C)CC1 3645385 JIJQKFPGBBEJNF-KBPBESRZSA-N 218.340 4.070 30 1 BIEF endogenous,in-man CC(C)=CC/C=C(/C)[C@H]1CC[C@]2(C)O[C@@H]2C1 15153205 BOWJPMUUGHPAAF-OIQKGARISA-N 220.356 4.247 30 1 BIEF biogenic,in-vitro C=C1C[C@@H]2C[C@]2(C)CC[C@@H]2[C@@H]1CC2(C)C 2356486683 AGHOGWGDKOQAOS-BHPKHCPMSA-N 204.357 4.415 30 1 BIEF C/C(=N\[C@H]1C[C@H]2CC[C@@H]1C2)Nc1ccccc1C 26188389 UXGVBEZDJTXWGO-LZWOXQAQSA-N 242.366 4.014 30 1 BIEF CCCCCCCC[C@H](CC)C(=O)CC(C)=O 85734143 RQUCUNVKAOKIPZ-AWEZNQCLSA-N 240.387 4.311 30 1 BIEF C=C[C@@]1(C)CCC=C(C)C(=O)[C@H]1C=C(C)C 2356500304 RDFQCGZMVJGWAD-HIFRSBDPSA-N 218.340 4.070 30 1 BIEF CCCCCCCC=CCC#CC#CCCCO 2356512009 TXNKJZICGHLGKD-UHFFFAOYSA-N 246.394 4.073 30 1 BIEF O=C(/C=C/C1CCCCC1)c1ccccc1 34541985 FNVRPMLQGSLTOL-VAWYXSNFSA-N 214.308 4.006 30 1 BIEF C=C[C@H](O)CCC=C(C)CCC=C(C)C 2356398111 WASNIKZYIWZQIP-AWEZNQCLSA-N 208.345 4.006 30 1 BIEF C=C1[C@@H]2CC[C@]3(C2)[C@@H](C)CC[C@@H]3C1(C)C 59778874 RFSYBMDOYOBTCL-ZGFBFQLVSA-N 204.357 4.415 30 1 BIEF C=C(C)[C@@H]1CC[C@]2(C)[C@H](O)C[C@@H](C)C(=C)[C@]2(C)C1 2356470532 DOQBFZAEDKJWNP-NHMWIVBRSA-N 248.410 4.332 30 1 BIEF C=C[C@]1(C)C[C@@H]2C=C(C)CC[C@@H]2C(C)(C)O1 165615614 NIGRJVWIKNICMW-KCQAQPDRSA-N 220.356 4.103 30 1 BIEF C=C(C)[C@H]1CC[C@@H](C)c2ccc(C)nc2C1 15265305 RVJOTNIWFWVNRS-YPMHNXCESA-N 215.340 4.022 30 1 BIEF biogenic C=C[C@H](O)CC/C=C(/C)CCC=C(C)C 215534142 WASNIKZYIWZQIP-ZVHGMHCTSA-N 208.345 4.006 30 1 BIEF C=C(C)/C=C/C/C(C)=C/CC/C(C)=C/C(=O)OC 238736082 CIUAVLQXCZTUGX-BONBXMHOSA-N 248.366 4.355 30 1 BIEF C=C(CCC=C(C)CO)[C@@H]1CC=C(C)CC1 2356542932 HBVOEGGRCJCMLG-OAHLLOKOSA-N 220.356 4.008 30 1 BIEF C=C1[C@@H]2CC[C@@]3(C)[C@@H](C2)[C@@H](C)CC[C@@]13C 138174875 QQWUXXGYAQMTAT-KLLKFSIISA-N 204.357 4.415 30 1 BIEF C=C[C@@H](O)CCC=C(C)CCC=C(C)C 2356398113 WASNIKZYIWZQIP-CQSZACIVSA-N 208.345 4.006 30 1 BIEF CCCCCCCc1nc(C)c(C)s1 95620565 PSZGSWWQPRJONL-UHFFFAOYSA-N 211.374 4.273 30 1 BIEF endogenous,in-man CC1=CC[C@]2(C)C(=C(C)C(=O)C[C@@H]2C)CC1 14649710 FXFLAINPZQUHOA-NHYWBVRUSA-N 218.340 4.048 30 1 BIEF biogenic C=C[C@H](O)C#CC/C=C/C=C/CCCCCCC 238733381 KKAHGGJBKUXDNQ-ZCMCESKASA-N 246.394 4.400 30 1 BIEF C=C1/C=C/C(C)(C)[C@H](O)CC/C(C)=C/CC1 238761724 XACGTPWWRCAUMO-PIMSJSKJSA-N 220.356 4.006 30 1 BIEF C=C1CC[C@H]2[C@@H]([C@H]3C(C)=CC[C@H]13)C2(C)C 85739032 HDUMORZKKNOYSS-RFGFWPKPSA-N 202.341 4.191 30 1 BIEF in-man C=C[C@](C)(O)C=CC=C(C)CCC=C(C)C 2356532687 UIMSQVVHHIUQOZ-HNNXBMFYSA-N 220.356 4.172 30 1 BIEF C=C1CC[C@H]2[C@H]([C@H]3[C@@H]1CC[C@H]3C)C2(C)C 49757400 ITYNGVSTWVVPIC-RKQHYHRCSA-N 204.357 4.271 30 1 BIEF C=C1CC[C@@H]2[C@H]3[C@@H](C(C)C)CC[C@]2(C)[C@@H]13 59206335 UPVZPMJSRSWJHQ-ZSAUSMIDSA-N 204.357 4.271 30 1 BIEF in-vitro C=C1C[C@H]2C=C[C@@]3(C[C@H](C)C[C@H]13)[C@@H]1[C@@H]2C1(C)C 2356515863 DOHWJOOELSKDKQ-VRMQGGBLSA-N 228.379 4.437 30 1 BIEF Cc1cc2c(C)coc2cc1[C@H](C)CCC=O 14694146 ITYICJYSWKRJCU-SNVBAGLBSA-N 230.307 4.132 30 1 BIEF biogenic C=C1CC[C@@H]2[C@H]([C@@H]3C[C@@H](C)C[C@H]13)C2(C)C 59586321 LMBFQYDLTPDCPT-RBQFQAMWSA-N 204.357 4.271 30 1 BIEF biogenic,in-vitro C=C[C@](C)(O)CCC=C(C)CCC=CC 2356725667 JZPSVKNNQBSUFG-AWEZNQCLSA-N 208.345 4.006 30 1 BIEF Cc1ccccc1/N=C/c1cn(C)c2ccccc12 84709608 GOTPXBXZGPWPPD-WOJGMQOQSA-N 248.329 4.237 30 1 BIEF CC1=CC[C@@]2(C)C(=C(C)C(=O)C[C@@H]2C)CC1 14649714 FXFLAINPZQUHOA-XHDPSFHLSA-N 218.340 4.048 30 1 BIEF biogenic C=C[C@@]1(C)CC[C@H]2C(C)=CC[C@@H](C)[C@]2(C)O1 140214521 RZQBHTGTGZGNFA-QPSCCSFWSA-N 220.356 4.103 30 1 BIEF CCCC=CCOC(=O)CCCCCCC 2356496416 IRUGSDVUJNNIMW-UHFFFAOYSA-N 226.360 4.246 30 1 BIEF C=C(C)CCC[C@H](C)[C@]1(O)CC=C(C)CC1 13377392 UZUXPANAZFDWJO-GJZGRUSLSA-N 222.372 4.230 30 1 BIEF biogenic C=C1[C@@H](C)C[C@H]2C[C@]1(C)CCc1ccoc12 38867450 KYUQVMAUQRUHGI-XEGUGMAKSA-N 216.324 4.302 30 1 BIEF CCCCCCCC[C@@H](C)C[C@H](C)C(=O)O 102181053 LLUSAGIILYQJOM-OLZOCXBDSA-N 228.376 4.484 30 1 BIEF C/C1=C/CC(C)(C)/C=C\C[C@@]2(C)O[C@H]2CC1 15161375 QTGAEXCCAPTGLB-LBMBPFPASA-N 220.356 4.247 30 1 BIEF endogenous,in-man C=C1[C@H]2CC[C@@H]([C@H]2OC)[C@]1(C)C1CCCCC1 2356498051 HRBNCGSOQFTBBJ-UGUYLWEFSA-N 234.383 4.184 30 1 BIEF CC(C)=CC(=O)c1coc2ccc(Cl)cc12 587276224 NUPAUSIJNBFZFC-UHFFFAOYSA-N 234.682 4.235 30 1 BIEF C=C(C)[C@H]1[C@H]2[C@@H](C)CC[C@H]3[C@@H](C)CC[C@]312 100825784 ZNVSGENNKBLLJB-UQGHGMQMSA-N 204.357 4.271 30 1 BIEF endogenous,in-man C/C1=C/CC[C@]2(C)O[C@H]2CC(C)(C)/C=C\C1 15161368 RKQDKXOBRXTSFS-MLQLDRGDSA-N 220.356 4.247 30 1 BIEF endogenous,in-man CC/C=C\C=C/CCCCCCCC=O 59340001 MDQSKCQQGXJOMN-OUPQRBNQSA-N 208.345 4.438 30 1 BIEF CC(C)=CCC[C@H](C)[C@@H]1CC=C(C)C(=O)C1 2356352371 RXQJYYWBIOOIKD-GXTWGEPZSA-N 220.356 4.294 30 1 BIEF C=C1CC[C@@H]2[C@H]([C@@H]3C1=CC[C@H]3C)C2(C)C 2356329177 WILLVGWOOMVDNT-RUZUBIRVSA-N 202.341 4.191 30 1 BIEF C=C[C@]1(C)CC[C@H]2[C@@H]([C@@H]1C(=C)C)C2(C)C 85850232 LKQMMFFQYMYQOJ-PWNZVWSESA-N 204.357 4.437 30 1 BIEF in-man Cc1cc(Cl)cc2c(C#N)c(CC(C)C)[nH]c12 587624512 KVRRXISBYLSFQA-UHFFFAOYSA-N 246.741 4.200 30 1 BIEF C=N[C@]1(C)CC[C@@H]2[C@H]([C@@H]3[C@@H](C)CC[C@@H]31)C2(C)C 2356558724 KCJUCYNJJYJRCR-FPXDANJGSA-N 233.399 4.174 30 1 BIEF CCCCCCCCC[n+]1cccc(C)c1 43100226 QJAPDISQZIRPPH-UHFFFAOYSA-N 220.380 4.033 30 1 BIEF CCCCCCCC[C@H](C)C/C=C/C(=O)O 102180880 HRQKXMSCZPCUSK-SRXBQZRASA-N 226.360 4.404 30 1 BIEF C=C1[C@H]2CC[C@@H](C2)[C@@H]2C[C@@H](C(C)C)C[C@H]12 2356582212 DFUVGLKCFAASAU-LXFSFDBISA-N 204.357 4.271 30 1 BIEF C=C(C)[C@H]1CC[C@]2(C)CC(CNC)=CC(C)=C2C1 2356368383 LEMNXGGNIKMILQ-DOTOQJQBSA-N 245.410 4.235 30 1 BIEF C=C1CC[C@H](C)[C@]2(C)CC[C@H]([C@H](O)C(C)C)[C@H]12 2356630926 KJYGASCDMVYJAW-GVRJEKJASA-N 236.399 4.022 30 1 BIEF CC=CC=CC#CC=CC=CCCCC 2356617432 CJWIXKFZAOSKKE-UHFFFAOYSA-N 200.325 4.425 30 1 BIEF C=C1CC[C@H]2[C@@H]([C@H]3C(C)=CC[C@@H]13)C2(C)C 85739027 HDUMORZKKNOYSS-XUXIUFHCSA-N 202.341 4.191 30 1 BIEF in-man CC1=CC[C@H](/C(C)=C\C(=O)CC(C)C)CC1 238765850 BLAZWOWQAGJDIR-ZVHGMHCTSA-N 220.356 4.294 30 1 BIEF C=C1[C@H]2[C@H]3CC[C@@H]1[C@]3(C)CCCC2(C)C 102945354 OYBHJKDJMRMSLX-XFMPKHEZSA-N 204.357 4.415 30 1 BIEF C=CCCCC[C@H]1CC[C@H](CCCCC)N1 13437550 OIWAVEMUOWGFIX-GJZGRUSLSA-N 223.404 4.434 30 1 BIEF biogenic CCCCCC1=C(c2cccnc2)/C(=N/O)CC1 115046820 JSYHWKYKTZJHEE-SAPNQHFASA-N 244.338 4.040 30 1 BIEF C/C1=C\C(=O)[C@H](C(C)C)CC/C(C)=C/CC1 103546783 RESNWHKKMVJDFA-SCGYNDOXSA-N 220.356 4.294 30 1 BIEF biogenic,in-vitro C=C[C@](C)(O)CC=CC(=C)CCC=C(C)C 2356437394 QYOAJBZJIIFSBC-HNNXBMFYSA-N 220.356 4.172 30 1 BIEF C=C[C@@]1(C)CC[C@@H](C(C)C)C(=O)[C@H]1C(=C)C 15150046 GWHRSRIPLDHJHR-GUTXKFCHSA-N 220.356 4.006 30 1 BIEF in-man C=C(C/C=C/C(C)(C)O)[C@@H]1CC=C(C)CC1 13377599 UMHJVDDWUSONQN-RKXVYHDYSA-N 220.356 4.006 30 1 BIEF endogenous,in-man C=C1C=CC(C)(C)[C@@H](O)CCC(C)=CCC1 2356496536 XACGTPWWRCAUMO-AWEZNQCLSA-N 220.356 4.006 30 1 BIEF C/C(=C\C1CCCCC1)C(=O)c1ccccc1 28572516 VVXXUVBOCSGNPH-OUKQBFOZSA-N 228.335 4.396 30 1 BIEF C#CCCCCCCCCC[C@H](C)OC 2356635023 SKUMUKZYAQNRDI-AWEZNQCLSA-N 210.361 4.165 30 1 BIEF C=C(C)[C@H]1CC[C@]2(C)CCC(=O)C[C@@]2(C)C1 16927608 VESUMYPXHVXDJI-NWANDNLSSA-N 220.356 4.128 30 1 BIEF endogenous,in-man C/C=C/C=C/C#C/C=C\C=C/CCCCCC=O 221228123 LIRHSECKYIWWMK-JQURPYADSA-N 242.362 4.384 30 1 BIEF Cc1cc(Cl)cc2c(C#N)c(C(C)(C)C)[nH]c12 587624971 XQIOHLWVWVYFRO-UHFFFAOYSA-N 246.741 4.299 30 1 BIEF C=C(CCC=C(C)C)[C@@H]1CC=C(C)C(=O)C1 13377641 FNSXIWZZZIJORF-CQSZACIVSA-N 218.340 4.214 30 1 BIEF biogenic C=C(C)[C@@H]1CC[C@]2(C)CCC(=O)C[C@@]2(C)C1 16927604 VESUMYPXHVXDJI-BPLDGKMQSA-N 220.356 4.128 30 1 BIEF endogenous,in-man C=C1CC[C@H]2C[C@@H]3[C@H](C)CC[C@]13C2(C)C 100193692 SLTLKLCDQWGISZ-ZRQNBYAXSA-N 204.357 4.415 30 1 BIEF in-vitro CCCCCCC[C@]1(C)SC(O)=C(C)C1=O 101074581 VCPCARKVCMIGCF-ZDUSSCGKSA-N 242.384 4.211 30 1 BIEF C=C1/C=C/[C@H](C(C)C)CCC(=C)C(=O)CC1 15255766 DCXWDHRJJUEDIX-GPAKFWEMSA-N 218.340 4.070 30 1 BIEF C=CC[C@@H](C)c1cc2c3c(cccc3n1)CC2 587213420 IPQQDMUDEACKBQ-LLVKDONJSA-N 223.319 4.013 30 1 BIEF C=C(C)c1ccc(C)c2c1C[C@@H](C)CC2 238772067 MTLDDAGRHDNHGQ-NSHDSACASA-N 200.325 4.153 30 1 BIEF C=C1C=C[C@H]2c3occc3CC[C@@H]1C2(C)C 14636177 UOFIXMTZHPVQGN-STQMWFEESA-N 214.308 4.078 30 1 BIEF C=CCCC[C@H]1CCC[C@H](CCCC=C)N1 15121884 AFBIHOXBWUXQRS-GJZGRUSLSA-N 221.388 4.210 30 1 BIEF biogenic C/C1=C\CC(C)(C)/C=C/C(=O)[C@H](C)CCC1 138808687 AVAUYZGSANWIET-SQXRIOHUSA-N 220.356 4.294 30 1 BIEF O=C(/C=C\CCc1ccccc1)c1ccccc1 199804800 WSCWRSSILDQLBE-ZSOIEALJSA-N 236.314 4.058 30 1 BIEF CC(=O)C(C)=CC1=C(C)CCCC1(C)C 2356371672 NSSHGPBKKVJJMM-UHFFFAOYSA-N 206.329 4.048 30 1 BIEF C=C[C@]1(C)CC[C@@H](C(C)=CCC=C(C)C)O1 2356449627 SADCLHOFZYXXAL-LSDHHAIUSA-N 220.356 4.413 30 1 BIEF C=C1CC[C@@H]2[C@@H]3[C@@H]1[C@@]2(C)CC[C@@H]3C(C)C 100203430 UPVZPMJSRSWJHQ-RYPNDVFKSA-N 204.357 4.271 30 1 BIEF in-vitro CCCCCC/C=C\c1sc(S)nc1O 169721205 FMOVNYUOJKHVOR-FPLPWBNLSA-N 243.397 4.121 30 1 BIEF CC(C)=CCCC(C)=CCC[C@@H](C)C=O 2356524343 ZXGMEZJVBHJYEQ-CQSZACIVSA-N 208.345 4.294 30 1 BIEF CC/C=C/C=C/C=C/CCCCCC=O 238780405 ABHMXTQMQYXWML-ARQDATDDSA-N 206.329 4.214 30 1 BIEF C=C1CCC[C@@]1(C)[C@]1(C)CC=C(C)C(=O)C1 14619017 WIHJPPIUATXOOD-HUUCEWRRSA-N 218.340 4.048 30 1 BIEF biogenic C=C1/C=C/C(C)(C)CCC(=O)[C@@H](C)CCC1 158058485 FQPYASKSBPFKKK-FROQITRMSA-N 220.356 4.294 30 1 BIEF CCC(=O)C=C[C@@H]1C(C)=CC[C@@H](C)C1(C)C 2356571925 JJCHHEFOILUZAW-TZMCWYRMSA-N 220.356 4.150 30 1 BIEF C=C1CC[C@H](C)[C@]2(C)CC[C@H]([C@H](O)C(C)C)[C@@H]12 2356630929 KJYGASCDMVYJAW-RBZJEDDUSA-N 236.399 4.022 30 1 BIEF C=C1CCCC(C)=CCc2c(C)coc2C1 2356760204 LERPGQQOFGFUDQ-UHFFFAOYSA-N 216.324 4.359 30 1 BIEF C=C1CC[C@](C)(c2ccc(CC(C)=O)cc2)[C@@H]1C 2356584033 RBJCZCSTKCAHJC-PBHICJAKSA-N 242.362 4.062 30 1 BIEF C=C1[C@@H]2CC[C@]23C[C@H](C(C)C)CC[C@@]13C 2356631613 IIKQEMDGVJYMGN-QPSCCSFWSA-N 204.357 4.415 30 1 BIEF CC=CC#CC#CCC=CCCCCC 2356753472 ARGYHLZVOXAFDW-UHFFFAOYSA-N 200.325 4.096 30 1 BIEF C=C[C@@]1(C)CCCC(C)(C)[C@@H]1CCC(C)=O 14693917 JIDIEEMOEVEUCA-ZFWWWQNUSA-N 222.372 4.374 30 1 BIEF biogenic C=C(C)[C@@H]1CC[C@@](C)(OC)[C@H]2CC[C@H](C)[C@@H]2C1 39121121 OFGCDEUJOOZBRL-XFIYOXNOSA-N 236.399 4.430 30 1 BIEF CCCC#CC#CC=CC=CCCC(=O)CCC 2356472514 ZSSHJLKMBRGDGM-UHFFFAOYSA-N 242.362 4.055 30 1 BIEF CC(C)=CC(=O)C/C(C)=C\CCc1ccoc1 195758049 UFGQHNWFUWHNSS-ACAGNQJTSA-N 232.323 4.084 30 1 BIEF C/C(=N\[C@@H]1C[C@H]2CC[C@@H]1C2)Nc1ccccc1C 26188385 UXGVBEZDJTXWGO-SQWLQELKSA-N 242.366 4.014 30 1 BIEF CCCCCCC[C@@H](C)CC[C@@H](C)C(=O)O 85642737 ABQDDNHUZOOWMZ-CHWSQXEVSA-N 228.376 4.484 30 1 BIEF C=C1CC[C@@]23[C@H](C)CC[C@H](C(C)C)[C@@H]2[C@H]13 100202655 FSRZGYRCMPZNJF-QMIVOQANSA-N 204.357 4.271 30 1 BIEF in-vitro CCCCC[C@H](C)[C@]1(C)SC(O)=C(C)C1=O 101032655 KTIDVKONMNLGRG-ZANVPECISA-N 242.384 4.067 30 1 BIEF C=CC[C@@H](Nc1ccccc1)c1ccsc1 29058215 RFGXXMVJINSMBC-CQSZACIVSA-N 229.348 4.477 30 1 BIEF C/C1=C/CC[C@]2(C)O[C@H]2CC(C)(C)/C=C/C1 238785682 RKQDKXOBRXTSFS-MQTWWMRFSA-N 220.356 4.247 30 1 BIEF C=CCCCC/C=C/C=C/C#C/C=C/C(=O)C=C 238745174 JGTUTFWHNIOOOC-UIYSQPCTSA-N 240.346 4.160 30 1 BIEF CC/C=C/C=C/C=C/C=C\CCCCC=O 238745388 ZSDGTOPNWLXOHV-DMIMTURISA-N 218.340 4.381 30 1 BIEF CC(C)=CC(=O)CC(C)=CCCc1ccoc1 2356512015 UFGQHNWFUWHNSS-UHFFFAOYSA-N 232.323 4.084 30 1 BIEF C=C1CC/C=C(/C)C/C=C\C(C)(C)C[C@H]1O 14441783 NMGJCQNNUTYSJJ-WRKUNCLDSA-N 220.356 4.006 30 1 BIEF endogenous,in-man C=N[C@]1(C)CC[C@@H](C(C)C)[C@@H]2C=C(C)CC[C@@H]21 238772174 MOJQTEHOASVXMY-YHUYYLMFSA-N 233.399 4.484 30 1 BIEF Cc1ccc(C=C2C(=O)[C@H]3CC[C@H]2C3(C)C)cc1 1857626927 VFTURGJPQCAITG-HUUCEWRRSA-N 240.346 4.014 30 1 BIEF C=CC(=O)C#CC#CC/C=C/CCCCCCC 1531109 UQEBOJRXTNLPKZ-ZHACJKMWSA-N 242.362 4.055 30 1 BIEF endogenous,in-man C=C[C@@](C)(O)CC[C@@H]1C(=C)CCCC1(C)C 14609781 AGPMIYKLQKQYMC-UKRRQHHQSA-N 222.372 4.086 30 1 BIEF biogenic CC(CS)=C1[C@H]2[C@H](CC[C@H]2C)[C@@]2(C)CC[C@@H]12 2356424288 MOLPJMOYBINZPO-WEVZDULTSA-N 236.424 4.325 30 1 BIEF C=C[C@](C)(CCC=C(C)C)CC(=O)/C=C(/C)O 238741502 YRLJSBXZSSZANV-VSKPTYQZSA-N 236.355 4.346 30 1 BIEF C=C1[C@@H]2CC[C@H]3[C@@H]2[C@H](C(C)C)CC[C@@]13C 238761715 VOBBUADSYROGAT-LXFSFDBISA-N 204.357 4.271 30 1 BIEF CC(C)=CC(=O)C[C@@H](C)C1=CC[C@H](C)CC1 2356333644 VHCBXKYNMTVEAT-QWHCGFSZSA-N 220.356 4.294 30 1 BIEF CCC(=O)C=C[C@H]1C(C)=CC[C@H](C)C1(C)C 2356571923 JJCHHEFOILUZAW-JSGCOSHPSA-N 220.356 4.150 30 1 BIEF C=C1CCC=C(C)CC[C@@H]2[C@@H]([C@H]1OC)C2(C)C 2356690619 FBVPCRFFPHHGLA-ILXRZTDVSA-N 234.383 4.350 30 1 BIEF C=C1CC[C@H]2[C@@H]([C@@H]3[C@H](C)CC[C@@H]13)C2(C)C 59778496 ITYNGVSTWVVPIC-HTOAHKCRSA-N 204.357 4.271 30 1 BIEF biogenic,in-man C=C(C)CCC[C@@H](C)[C@]1(O)CC=C(C)CC1 13377394 UZUXPANAZFDWJO-CABCVRRESA-N 222.372 4.230 30 1 BIEF biogenic C=C1C=C2c3c(C)coc3C[C@@H](C)[C@@H]2CC1 15153808 FWAMSVJFINPKEF-PWSUYJOCSA-N 214.308 4.130 30 1 BIEF biogenic Cc1ccc(/C=N/c2ccccc2)c(C)c1 34067570 QMOJTDZIUPBGHI-LFIBNONCSA-N 209.292 4.054 30 1 BIEF CCCCCCC[C@H]1CC[C@@H]2CC[C@@H](C)N12 85835648 HDOOWYGBFWMHAV-ILXRZTDVSA-N 223.404 4.362 30 1 BIEF C=N[C@@H]1[C@@H](C(C)C)CC[C@H](C)[C@]12C=C(C)CC2 238776034 UIFMZXIMBFQLQN-JJXSEGSLSA-N 233.399 4.484 30 1 BIEF C=C1[C@@H]2CC[C@]23C[C@@H](C(C)C)CC[C@]13C 2356631614 IIKQEMDGVJYMGN-XQLPTFJDSA-N 204.357 4.415 30 1 BIEF C=C(C)C=CCC(C)=CCCC(C)=CC(=O)OC 2356666571 CIUAVLQXCZTUGX-UHFFFAOYSA-N 248.366 4.355 30 1 BIEF CC1=C(CC[C@@H](C=O)C(C)C)CCC[C@@H]1C 14772472 MRKIRDULLMOOLF-WFASDCNBSA-N 222.372 4.374 30 1 BIEF biogenic CCCCCCCCC[C@H]1CCCOC1=O 85925018 XLKRUURGHWUVNG-ZDUSSCGKSA-N 226.360 4.080 30 1 BIEF endogenous,in-man C/C1=C/CC[C@@]2(C)O[C@H]2CC(C)(C)/C=C/C1 195786019 RKQDKXOBRXTSFS-QFYQZKOTSA-N 220.356 4.247 30 1 BIEF C=C(C)[C@H](CO)CC=C(C)CCC=C(C)C 2356328849 JTSPVWIYQLSMER-HNNXBMFYSA-N 222.372 4.254 30 1 BIEF CC1=CC(=O)C[C@]2(C)CCC(=C(C)C)C[C@@H]12 15207403 SVQMAXHCMOZBSF-GJZGRUSLSA-N 218.340 4.048 30 1 BIEF endogenous,in-man C=CC(=C)CCC=C(C)CC[C@@H]1OC1(C)C 2356523529 VLCSIBCFYWQTOS-AWEZNQCLSA-N 220.356 4.413 30 1 BIEF C/C1=C\CC(C)(C)[C@H]2O[C@@H]2C/C(C)=C/CC1 33831638 WSIKWSKUPSHZMF-DWTDZOANSA-N 220.356 4.247 30 1 BIEF biogenic,in-vitro C/C1=C\CC(C)(C)[C@H](C#N)CC(=O)/C(C)=C/CC1 64491726 GFOSUVFAUICCJZ-OZYJHPDRSA-N 245.366 4.188 30 1 BIEF C=CCc1cccc2nc([C@@H]3C[C@]3(C)CC)[nH]c12 586890190 NNVKPQTUIQKDDW-LRDDRELGSA-N 240.350 4.195 30 1 BIEF C=C(C)[C@@H]1CCC(=O)C(C)=C2CC[C@H](C)[C@H]2C1 2356351600 AXHSUILLDJSUJT-NJZAAPMLSA-N 232.367 4.294 30 1 BIEF C=C1C[C@@]23CC[C@@H]1C(C)(C)[C@@H]2CC[C@H]3C 231212503 SODGFMASLAAZRW-UKTARXLSSA-N 204.357 4.415 30 1 BIEF CCO/N=C(C)/C=C/[C@H]1C(C)=CCCC1(C)C 103202194 PCAIXNIDNXEXFI-FPQJDQHHSA-N 235.371 4.338 30 1 BIEF C=N[C@@H]1[C@H](C(C)C)CC[C@@H](C)[C@@]12C=C(C)CC2 2356569971 UIFMZXIMBFQLQN-QKPAOTATSA-N 233.399 4.484 30 1 BIEF C=C1C=CC(C)(C)[C@H](O)CCC(C)=CCC1 2356496537 XACGTPWWRCAUMO-CQSZACIVSA-N 220.356 4.006 30 1 BIEF CC1=CC[C@@H](/C(C)=C/C(=O)CC(C)C)CC1 238744547 BLAZWOWQAGJDIR-JWAFFJSPSA-N 220.356 4.294 30 1 BIEF C=C1[C@@H]2[C@H]3CC[C@@H]1[C@@]3(C)CCCC2(C)C 103559346 OYBHJKDJMRMSLX-KYEXWDHISA-N 204.357 4.415 30 1 BIEF biogenic,in-vitro C=CCC(C)(C)c1nc2cccc(Cl)c2[nH]1 587954326 OWUBUELIMRBPOX-UHFFFAOYSA-N 234.730 4.070 30 1 BIEF C=C[C@]1(C)CC[C@]2(O1)C(C)=CC[C@@H](C)[C@H]2C 13431238 CVZXLAAMZXBCMM-NGFQHRJXSA-N 220.356 4.103 30 1 BIEF biogenic C=C1[C@@H]2CC[C@@]3(C2)[C@H](CC[C@H]3C)C1(C)C 87528071 RFSYBMDOYOBTCL-OPQSFPLASA-N 204.357 4.415 30 1 BIEF in-vitro C=CC(=C)CC/C=C(\C)CC[C@@H]1OC1(C)C 15160374 VLCSIBCFYWQTOS-SSUFTNFISA-N 220.356 4.413 30 1 BIEF C=C1CC[C@H]2[C@@H]1[C@H]1[C@H](C(C)C)CC[C@@]21C 136651817 YIRAHEODBQONHI-AHDPXTMNSA-N 204.357 4.271 30 1 BIEF biogenic CC(=O)C=CC(C)=C(C)c1c[nH]c2ccccc12 2356748140 XYPNIPPMKPLGOZ-UHFFFAOYSA-N 239.318 4.107 30 1 BIEF C=C1CC[C@@H]2[C@H](CC2(C)C)C(=C)CCC1=NO 2356697658 LAVOESILOACOFW-CHWSQXEVSA-N 233.355 4.165 30 1 BIEF C=C(C)[C@@H](CO)CC=C(C)CCC=C(C)C 2356328850 JTSPVWIYQLSMER-OAHLLOKOSA-N 222.372 4.254 30 1 BIEF C=C(CC[C@@H]1OC1(C)C)[C@H]1CC=C(C)CC1 13377520 MGENYQSHSWSTRW-KBPBESRZSA-N 220.356 4.247 30 1 BIEF biogenic C=C(CC/C(C)=C/CCC(C)=O)C(C)C 15120109 GVHYGHSXSIDTDI-KPKJPENVSA-N 208.345 4.294 30 1 BIEF endogenous,in-man C=C1CC[C@H]([C@H](C)CCC=C(C)C)C[C@H]1O 238773788 SKAUBXZIXVGASZ-VHDGCEQUSA-N 222.372 4.086 30 1 BIEF C=C1CC[C@@H]2[C@@H](CC2(C)C)C(=C)CC/C1=N/O 3978558 LAVOESILOACOFW-XKJOCENUSA-N 233.355 4.165 30 1 BIEF in-vitro C=C[C@H]1CC(=O)O[C@@H]1CCCCCCCCC 1772639866 OMTITDXJXZNMTH-UONOGXRCSA-N 238.371 4.245 30 1 BIEF C=N[C@]1(C)CC[C@H](C(C)C)[C@H]2C=C(C)CC[C@H]21 2356564370 MOJQTEHOASVXMY-KLHDSHLOSA-N 233.399 4.484 30 1 BIEF C=C(C)[C@@H]1[C@@H]2[C@H](C)CC[C@@H]3[C@@H](C)CC[C@@]123 257786802 ZNVSGENNKBLLJB-RUDNTAQLSA-N 204.357 4.271 30 1 BIEF endogenous,in-man C=C1CC[C@H]2[C@@H]1[C@@H]1[C@H](C(C)C)CC[C@]21C 1565154 YIRAHEODBQONHI-SBJFKYEJSA-N 204.357 4.271 30 1 BIEF Cc1ccc(/N=C/C2=C(O)CCCC2)c(C)c1 101856264 WDSWKOQBNNPOOZ-MHWRWJLKSA-N 229.323 4.392 30 1 BIEF C=C1CC[C@]23[C@H]1[C@@H]2[C@H](C(C)C)CC[C@H]3C 103538030 FSRZGYRCMPZNJF-SEBNEYGDSA-N 204.357 4.271 30 1 BIEF biogenic,in-vitro C=C[C@]1(C)CCCC(C)(C)[C@@H]1CCC(C)=O 14693913 JIDIEEMOEVEUCA-DZGCQCFKSA-N 222.372 4.374 30 1 BIEF biogenic C=C[C@@H](O)C#CC#CCCCCCCCCCC 70455599 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30 1 BIEF endogenous,in-man C=C[C@H](O)/C=C/C#CC/C=C\CCCCCCC 238751543 AZYMFOSYSFSUMW-XVRWSSMWSA-N 246.394 4.400 30 1 BIEF CCCCC/C(=N/O)c1c(C)[nH]c2ccccc12 102604099 JVWNBEWQLPWZLC-VKAVYKQESA-N 244.338 4.235 30 1 BIEF C=C[C@]1(C)CCC=C(C)C(=O)[C@H]1C=C(C)C 238763187 RDFQCGZMVJGWAD-UKRRQHHQSA-N 218.340 4.070 30 1 BIEF C=C1C=C[C@@H](C(C)C)CCC(=C)C(=O)CC1 2356539121 DCXWDHRJJUEDIX-CQSZACIVSA-N 218.340 4.070 30 1 BIEF C=C(CCC=C(C)CO)[C@H]1CC=C(C)CC1 2356542930 HBVOEGGRCJCMLG-HNNXBMFYSA-N 220.356 4.008 30 1 BIEF C=C1CC/C=C(/C)C/C=C\C(C)(C)C[C@@H]1O 14441781 NMGJCQNNUTYSJJ-GGBFPCDMSA-N 220.356 4.006 30 1 BIEF endogenous,in-man C=C1CC[C@H](C)[C@]2(C)CC[C@H]([C@@H](O)C(C)C)[C@@H]12 2356630927 KJYGASCDMVYJAW-QMHWVQJVSA-N 236.399 4.022 30 1 BIEF CCC=CC#CCCCCCCCCCCO 2356762285 MUVIYYKFZAILBT-UHFFFAOYSA-N 236.399 4.459 30 1 BIEF C=C[C@@](C)(O)CC=C[C@H](C)CC=CC(=C)C 2356657705 QQTBOCIWZDVCSA-HUUCEWRRSA-N 220.356 4.028 30 1 BIEF CCCC/C=C\CCC/C=C/CCC=O 59173321 SKBKGBGBUQMBNN-GWZUCBFCSA-N 208.345 4.438 30 1 BIEF C=C[C@@]1(C)CC[C@H](C(C)=CCC=C(C)C)O1 2356449624 SADCLHOFZYXXAL-CABCVRRESA-N 220.356 4.413 30 1 BIEF CC1=CC[C@]2(C)C(=C(C)C(=O)C[C@H]2C)CC1 14649708 FXFLAINPZQUHOA-ABAIWWIYSA-N 218.340 4.048 30 1 BIEF biogenic C=C1CC[C@H]2[C@H]1[C@H]1[C@H](C(C)C)CC[C@]21C 59064314 YIRAHEODBQONHI-BTFPBAQTSA-N 204.357 4.271 30 1 BIEF biogenic,in-vitro C=CCCCC/C=C/C=C/C#CC#C/C=C\C 85831832 ZJZNMXVJKYOSGJ-RBBHKJGASA-N 224.347 4.428 30 1 BIEF C=C1CC[C@@H]2C(C)(C)[C@@H]3C[C@]12CC[C@H]3C 2356764561 QQKZQCZZXKSVPR-BPGGGUHBSA-N 204.357 4.415 30 1 BIEF CC(C)CC(=O)C1=C(c2ccoc2)CC[C@@H]1C 14611746 IMIDUSPPISKIMX-NSHDSACASA-N 232.323 4.078 30 1 BIEF biogenic C=C1CC[C@@H]2[C@H]1[C@H]1[C@H](C(C)C)CC[C@@]21C 59778978 YIRAHEODBQONHI-ZQNQSHIBSA-N 204.357 4.271 30 1 BIEF endogenous,in-man C=C1CC[C@@H]2[C@@H]3[C@H]1[C@@]2(C)CCCC3(C)C 59066472 DQOVXHMHLOWECL-COMQUAJESA-N 204.357 4.415 30 1 BIEF in-vitro C=CCCCCCCC=CCCCCO 2356414127 PDVOQGIVYBGHCJ-UHFFFAOYSA-N 210.361 4.232 30 1 BIEF C=CC(=C)CCC=C(C)CC[C@H](O)C(=C)C 2356499258 ZUBJVKZEJBWGRE-HNNXBMFYSA-N 220.356 4.172 30 1 BIEF C=CCN(C)[C@@H](C#CCCCC)c1ccccc1 205716514 UGJNWVZMZLTFNP-KRWDZBQOSA-N 241.378 4.039 30 3 BIEF N#Cc1cc2ccc(F)cc2c2ccsc12 1857601598 SUXWEVASUCWAHN-UHFFFAOYSA-N 227.263 4.065 30 1 BIEF C=C(C)[C@H]1CC[C@@]2(C)CCC(=O)C[C@]2(C)C1 5081097 VESUMYPXHVXDJI-QEJZJMRPSA-N 220.356 4.128 30 1 BIEF in-man C/C=C\C#CC#CC/C=C/CCCCCCC=O 15269292 SGSOBSVIWVCZSE-TWCXWQTESA-N 242.362 4.055 30 1 BIEF C=C[C@](C)(O)CCC=C(C)CCCC(=C)C 2356616437 XCQMKMYPKNZRCW-HNNXBMFYSA-N 222.372 4.396 30 1 BIEF C=C[C@@](C)(CCC=C(C)C)CC(=O)C=C(C)O 2356553413 YRLJSBXZSSZANV-HNNXBMFYSA-N 236.355 4.346 30 1 BIEF C=CCCCCCCCC=C(Cl)CO 2356455824 JHQNGVFZTHPLMQ-UHFFFAOYSA-N 216.752 4.018 30 1 BIEF C=CCCCCCC=CC(=O)C#CC#CCCC 2356696925 ZVPOCLFFKKSPRA-UHFFFAOYSA-N 242.362 4.055 30 1 BIEF CC1=C[C@]2(CC=O)CCCC(C)(C)[C@@H]2CC1 14557455 KBOSOCFVHDLFBV-DZGCQCFKSA-N 220.356 4.128 30 1 BIEF biogenic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biogenic C=C1CC[C@H]2[C@@H]([C@@H]3C(C)=CC[C@@H]13)C2(C)C 85739018 HDUMORZKKNOYSS-FQUUOJAGSA-N 202.341 4.191 30 1 BIEF in-man C#CCN(C)[C@@H](C)CCCCCCCCCC 34801127 VAFDRBJZVFFWNL-INIZCTEOSA-N 237.431 4.471 30 1 BIEF C=C1CC[C@H]2[C@@H]([C@H]3[C@@H]1CC[C@H]3C)C2(C)C 49757399 ITYNGVSTWVVPIC-RGDJUOJXSA-N 204.357 4.271 30 1 BIEF biogenic,in-man C=CCN(C)[C@H](C#CCCCC)c1ccccc1 205716528 UGJNWVZMZLTFNP-QGZVFWFLSA-N 241.378 4.039 30 3 BIEF C=C1C=C[C@@]23[C@H]1C[C@@H](CC[C@H]2C)C3(C)C 95910287 KZABVHBACHSSNR-CXTNEJHOSA-N 202.341 4.191 30 1 BIEF biogenic,in-vitro C=C1C[C@H]2C=C[C@@]3(C[C@H](C)C[C@H]13)[C@H]1[C@@H]2C1(C)C 2356515864 DOHWJOOELSKDKQ-ZTUHZDJASA-N 228.379 4.437 30 1 BIEF C=C[C@]1(C)C[C@H]2C=C(C)CC[C@@H]2C(C)(C)O1 231179327 NIGRJVWIKNICMW-VNHYZAJKSA-N 220.356 4.103 30 1 BIEF C=C1CC[C@H]2C[C@]3([C@@H](C)CC[C@H]13)C2(C)C 231403550 HOMAFFTYQJEIDP-RMRHIDDWSA-N 204.357 4.415 30 1 BIEF C=C1CC(C)(C)CC2=C1C1(CC1)[C@H](C)C2 238737754 ZTUVSEYJITYTLE-LLVKDONJSA-N 202.341 4.479 30 1 BIEF CCCCCCC/C=C\CC#CC#C[C@@H](O)CC 96085901 PROIGOAKZLZHQV-MQNTZWLQSA-N 246.394 4.071 30 1 BIEF C=C[C@]1(C)CC[C@H](C(C)=CCC=C(C)C)O1 2356449626 SADCLHOFZYXXAL-HUUCEWRRSA-N 220.356 4.413 30 1 BIEF C=C(C)[C@@H]1[C@@H]2CC[C@]2(C)[C@H]2CC[C@H](C)[C@@H]12 44387763 UEHKTJFOLYEULK-PKCACUDHSA-N 204.357 4.271 30 1 BIEF Cc1cc(Cl)cc2c(C#N)c([C@@H]3C[C@@H]3C)[nH]c12 587624403 JKZFDAYOIOWVQM-OIBJUYFYSA-N 244.725 4.125 30 1 BIEF N#Cc1cccc(-c2ccc3cccccc2-3)c1 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30 1 BIEF C=C(CC(=O)CC(C)C)[C@@H]1CC=C(C)CC1 2356785191 RXDBFFKBQQIDPB-CQSZACIVSA-N 220.356 4.294 30 1 BIEF C=C1C=C[C@@H]2[C@@H]3[C@@H](C(C)C)CC[C@]2(C)[C@H]13 100781009 ADVJSMBYHNLAGK-QMIVOQANSA-N 202.341 4.047 30 1 BIEF endogenous,in-man C=C(C)[C@H]1CCC(C)=CCCC(=C)[C@H](O)C1 2356737792 FCDRTOJMUHXAJJ-LSDHHAIUSA-N 220.356 4.006 30 1 BIEF Cc1ccccc1N/N=C(\Cl)c1ccccc1 27622306 FILJYOXHZYRSBU-VKAVYKQESA-N 244.725 4.008 30 1 BIEF C=C1C[C@H]2C=C[C@]3(C[C@@H](C)C[C@H]13)[C@H]1[C@@H]2C1(C)C 85545054 DOHWJOOELSKDKQ-XNHQIMOCSA-N 228.379 4.437 30 1 BIEF biogenic,in-vitro C/C=C\C#CC#CC/C=C\CCCCCCC=O 221230408 SGSOBSVIWVCZSE-KUCYNYLMSA-N 242.362 4.055 30 1 BIEF C=CCC(C)(C)c1nc2cc(C)cc(C)c2[nH]1 587954328 OYAKBXIYXLCMLY-UHFFFAOYSA-N 228.339 4.033 30 1 BIEF C=C(CCC=C(C)C)[C@@H]1CC[C@@]2(C)O[C@H]2C1 33495740 GCCYGVVSKKTGJQ-QLFBSQMISA-N 220.356 4.247 30 1 BIEF biogenic,in-vitro C=C1C=C[C@@H]2[C@H]3[C@H](C(C)C)CC[C@]2(C)[C@@H]13 238762356 ADVJSMBYHNLAGK-QRTUWBSPSA-N 202.341 4.047 30 1 BIEF C=C1CC[C@@H]2O[C@]2(C)C[C@@H]2CCC[C@]3(C)C[C@H]1[C@H]23 2356668462 QKNQNUADXBWQBX-RHJCGQNESA-N 246.394 4.327 30 1 BIEF C=C1CC[C@@H]2[C@H]([C@@H]3C[C@H](C)C[C@H]13)C2(C)C 2356368505 LMBFQYDLTPDCPT-FZGMBXNASA-N 204.357 4.271 30 1 BIEF CC(C)=CCC/C(C)=C1\CC[C@@]2(C)O[C@H]2C1 13377510 UFBLHNHPWIIREM-LTNMDHOVSA-N 220.356 4.391 30 1 BIEF C=C1CC/C=C(C)\C=C\c2c(C)coc2C1 34326826 RYMNYQJCUJGMFN-HKCZQACCSA-N 214.308 4.440 30 1 BIEF C=C1CC[C@@](C)([C@H]2C[C@@H]3C(C)=C[C@@H]32)[C@H]1C 238770061 WHGLQEZJYTZGDZ-AIEDFZFUSA-N 202.341 4.191 30 1 BIEF CCCCCCC[C@@H]1CC[C@H]2CC[C@H](C)N12 43504483 HDOOWYGBFWMHAV-RRFJBIMHSA-N 223.404 4.362 30 1 BIEF C=C1CC[C@@H]2[C@H](CC[C@]3(C)[C@H](O)CC[C@H]23)C1(C)C 169312402 HKMSOXFYCYBRLW-YCCFLXJFSA-N 248.410 4.166 30 1 BIEF C=C(C)[C@@H]1CCC[C@@H](C)[C@H]2CC(=O)C(C)=C2C1 2356340181 IXPUBQZANWHZIX-MRVWCRGKSA-N 232.367 4.294 30 1 BIEF C=C[C@]1(C)CCC[C@H](C)C(=O)[C@@H]1C=C(C)C 2356599566 FCBUZHIFBNFXDJ-KCQAQPDRSA-N 220.356 4.150 30 1 BIEF CCCCCCCCCC=CC=CC(=O)OC 2356648990 WBVDAGWICYRIQQ-UHFFFAOYSA-N 238.371 4.413 30 1 BIEF CC1=CCC[C@@H]2[C@]1(C)CC[C@@H](C)[C@]2(C)CC=O 14764904 MPWIIQYWQOBNKS-FPCVCCKLSA-N 234.383 4.374 30 1 BIEF biogenic C=C(C)C(=O)CC[C@@H](C)c1ccc(C)cc1 13377496 JVRYIUOXNFDSNU-CYBMUJFWSA-N 216.324 4.024 30 1 BIEF endogenous,in-man CCCCCCCC/N=C/c1ccc(O)cc1 653788002 GWHRSIKNOAVNTG-DTQAZKPQSA-N 233.355 4.172 30 1 BIEF C=C1CC[C@H](O)C(C)=CCCC(C)(C)CC1 2356668410 PAGSXLWQSGUSAH-AWEZNQCLSA-N 222.372 4.230 30 1 BIEF C=C1CCC[C@]1(C)[C@]1(C)CC=C(C)C(=O)C1 14619015 WIHJPPIUATXOOD-CABCVRRESA-N 218.340 4.048 30 1 BIEF biogenic CCCCCCCCCCCN(C)N=O 40454291 TZBWQIWBMMBFBF-UHFFFAOYSA-N 214.353 4.130 30 1 BIEF C=CCc1cccc2nc([C@H]3C[C@]3(C)CC)[nH]c12 586890196 NNVKPQTUIQKDDW-WBMJQRKESA-N 240.350 4.195 30 1 BIEF C=C1CC[C@H]2[C@@H]3[C@H]1[C@]2(C)CCCC3(C)C 100197504 DQOVXHMHLOWECL-RMRHIDDWSA-N 204.357 4.415 30 1 BIEF in-vitro C=C1CC[C@@H](C(=C)C)CC=C(C)CCC1=O 2356462408 QMEZKUJMSSOSEF-AWEZNQCLSA-N 218.340 4.214 30 1 BIEF C=C1CC[C@@]23[C@H](C)CC[C@@H](C(C)C)[C@@H]2[C@H]13 100202657 FSRZGYRCMPZNJF-FQKPHLNHSA-N 204.357 4.271 30 1 BIEF in-vitro C=C(C)[C@@H]1[C@@H]2CC[C@]2(C)[C@H]2CC[C@@H](C)[C@@H]12 44093797 UEHKTJFOLYEULK-YXJLRHLOSA-N 204.357 4.271 30 1 BIEF C=N[C@]1(C)CC[C@@H](C(C)C)[C@@H]2C=C(C)CC[C@H]21 238755364 MOJQTEHOASVXMY-CAOSSQGBSA-N 233.399 4.484 30 1 BIEF C=CCCCC/C=C/C=C/C#CC#C/C=C/C 95911868 ZJZNMXVJKYOSGJ-GORQMSRHSA-N 224.347 4.428 30 1 BIEF biogenic,in-vitro CCO/N=C(C)\C=C\[C@@H]1C(C)=CCCC1(C)C 103215414 PCAIXNIDNXEXFI-PRHDSSLMSA-N 235.371 4.338 30 1 BIEF C=C1CC[C@H](C)C(C)(C)[C@H]1C=CC(=O)CC 2356588920 MIRFZFVOZQLFTF-JSGCOSHPSA-N 220.356 4.150 30 1 BIEF CC1(C)CC(O)=C/C(=N/c2ccccc2)C1 101896432 YUNGYLAQDUQIMV-QINSGFPZSA-N 215.296 4.021 30 1 BIEF C=C1CC[C@@]23C[C@@H]1C(C)(C)[C@H]2CC[C@H]3C 104853394 DYLPEFGBWGEFBB-COMQUAJESA-N 204.357 4.415 30 1 BIEF CC1=C[C@@H]2O[C@@H]2C(C)=CCC(C)(C)C=CC1 2356330935 CURDSHVMYFYNIX-UONOGXRCSA-N 218.340 4.023 30 1 BIEF C=CCCCCCCCCCC(=O)C=C 1583540 ALXCRKQLOWBSOZ-UHFFFAOYSA-N 208.345 4.438 30 1 BIEF biogenic C=C1CC[C@H]2[C@@H]3[C@H](C(C)C)CC[C@@]2(C)[C@@H]13 100202756 UPVZPMJSRSWJHQ-YYFQZIEXSA-N 204.357 4.271 30 1 BIEF in-vitro C=C[C@H](O)CCC/C=C/C=C/C#C/C=C/CCC 15269690 CKGCFBGECZAJPP-JJIFIRSISA-N 244.378 4.176 30 1 BIEF CCCCCCC[C@@H](O)/C=C/c1ccc(O)cc1 653707801 SRGPMOAVEYUMCN-KUCQQTCKSA-N 248.366 4.127 30 1 BIEF C=N[C@]1(C)CC[C@H](C(C)C)[C@@H]2C=C(C)CC[C@H]21 2356564372 MOJQTEHOASVXMY-QKPAOTATSA-N 233.399 4.484 30 1 BIEF C=C[C@@](C)(O)CCC=CCCC=C(C)C 2356753763 BLWFGFXUISFSJL-CQSZACIVSA-N 208.345 4.006 30 1 BIEF CCCC#CC#C[C@@H](O)/C=C/CCCCCCC 85832084 KIWXXCLBXNHHQU-FYPAKXHLSA-N 246.394 4.071 30 1 BIEF C=C1CC/C=C(/C)CC[C@H](C(=C)C)C[C@@H]1O 238738213 FCDRTOJMUHXAJJ-JAHBZWGTSA-N 220.356 4.006 30 1 BIEF C=C[C@@]1(C)CC[C@@H](C(C)=CCC=C(C)C)O1 2356449625 SADCLHOFZYXXAL-GJZGRUSLSA-N 220.356 4.413 30 1 BIEF C=C(C)[C@@H]1CC[C@@H](C)c2ccc(C)nc2C1 15265300 RVJOTNIWFWVNRS-DGCLKSJQSA-N 215.340 4.022 30 1 BIEF biogenic,in-vitro N#C[C@@H](F)c1ccc(-c2ccc(F)cc2)c(F)c1 71329417 RWRSKDMTLJJNPT-CQSZACIVSA-N 247.219 4.166 30 1 BIEF C=C[C@](C)(O)CC[C@@H]1C(C)=CCC(C)=C1C 14593867 SUODWVXBHOBXFQ-CABCVRRESA-N 220.356 4.006 30 1 BIEF biogenic C=C1CC[C@@H]2[C@H]1[C@H]1[C@H](C(C)C)CC[C@]21C 100826372 YIRAHEODBQONHI-XPABHHOTSA-N 204.357 4.271 30 1 BIEF endogenous,in-man C=C1C/C=C/C(C)(C)C/C=C(\C)CC[C@@H]1O 230092367 ZHCPVYWHSOILQL-IGORNAHMSA-N 220.356 4.006 30 1 BIEF CC1=CCC[C@H]2O[C@@]2(C)CC=CC(C)(C)C1 2356469352 JXRRJAPYKWLLHV-HIFRSBDPSA-N 220.356 4.247 30 1 BIEF C=C1[C@H]2CCC(C)(C)[C@H]1CCc1ccoc12 2356792174 JLFMTRDUJPQQMD-OLZOCXBDSA-N 216.324 4.302 30 1 BIEF C=CCc1cccc2nc([C@H]3C[C@@]3(C)CC)[nH]c12 586890193 NNVKPQTUIQKDDW-MLGOLLRUSA-N 240.350 4.195 30 1 BIEF C=C1C[C@@H]2CC[C@H](C)[C@]23CC(C)(C)C[C@@H]13 2356530404 CPNKKZQGNNFQGD-PWNZVWSESA-N 204.357 4.415 30 1 BIEF C=C1CCC=C(C)CC[C@H](C(=C)C)C[C@@H]1O 2356737790 FCDRTOJMUHXAJJ-GJZGRUSLSA-N 220.356 4.006 30 1 BIEF C=C(C)[C@@H]1CC[C@](C)([C@@H]2CC=C(C)CC2)O1 238785441 AKAQULCXJUDSBA-QLFBSQMISA-N 220.356 4.247 30 1 BIEF CC(C)=C1CC/C(C)=C\C/C=C(/C)CC1=O 238779872 VFQUTODDWOXXJK-QXFGSWAMSA-N 218.340 4.359 30 1 BIEF Cc1ccc2ccc(-c3ccc(C#N)cc3)cc2n1 28823064 XQWKMYLBQFMOAC-UHFFFAOYSA-N 244.297 4.082 30 1 BIEF C=C(CC[C@H]1OC1(C)C)[C@@H]1CC=C(C)CC1 13377519 MGENYQSHSWSTRW-ZIAGYGMSSA-N 220.356 4.247 30 1 BIEF biogenic CCC[C@@H](C)c1[nH]c2cc(F)ccc2c1C#N 587635754 QYXAZOWLZAGVKX-SECBINFHSA-N 230.286 4.082 30 1 BIEF C=C1[C@H]2CC[C@H]([C@@H]2OC)[C@]1(C)C1CCCCC1 85546667 HRBNCGSOQFTBBJ-FPCVCCKLSA-N 234.383 4.184 30 1 BIEF biogenic,in-vitro C=C[C@]1(C)C[C@@H]2C=C(C)CC[C@H]2C(C)(C)O1 13380905 NIGRJVWIKNICMW-GZBFAFLISA-N 220.356 4.103 30 1 BIEF biogenic CCCCCCCCCC[C@H](C)OC(C)=O 85659572 XLJMENIXMPTZGN-ZDUSSCGKSA-N 228.376 4.469 30 1 BIEF C=N[C@]1(C)CCC(C(C)C)=C[C@@H]2[C@H](C)CC[C@H]21 2356534239 HUHDWKHAQNMWGU-DTZQCDIJSA-N 233.399 4.484 30 1 BIEF C=C1CC[C@@](C)(c2ccc(CC(C)=O)cc2)[C@@H]1C 2356584034 RBJCZCSTKCAHJC-RHSMWYFYSA-N 242.362 4.062 30 1 BIEF C=C1CC[C@H]2[C@H]1[C@@H]1[C@@H](C(C)C)CC[C@@]21C 104359103 YIRAHEODBQONHI-QTVXIADOSA-N 204.357 4.271 30 1 BIEF in-man CC1=C2C=C(C(=O)C(C)C)C[C@]2(C)CCC1 14677329 AUHXWVNWVPJIJR-HNNXBMFYSA-N 218.340 4.048 30 1 BIEF biogenic C=N[C@]1(C)C[C@@H]2[C@H](C(C)C)C[C@@]3(C)C[C@H]1C[C@@H]23 2356560038 RDTNXQLRWUWQGC-ZTYXSZCMSA-N 233.399 4.174 30 1 BIEF C/C=C\C=C\C#C/C=C\C=C/CCCCCC=O 221228056 LIRHSECKYIWWMK-MYUBABPZSA-N 242.362 4.384 30 1 BIEF CCCCCCCCC=CC=C[C@H](C)N 2356604262 WCUPLXASCCDKJN-AWEZNQCLSA-N 209.377 4.197 30 1 BIEF C=C[C@](C)(O)CC[C@H]1C(C)=CCC(C)=C1C 14593866 SUODWVXBHOBXFQ-GJZGRUSLSA-N 220.356 4.006 30 1 BIEF biogenic C=C1CC[C@@H]2[C@@H]1CC(C)(C)C[C@H]1C[C@]12C 140264252 WXGMXZIDGRJJPK-KYEXWDHISA-N 204.357 4.415 30 1 BIEF C#CC(C)(C)Oc1cccc(-c2ccccc2)c1 28873417 HDUUGDNXXXGKJJ-UHFFFAOYSA-N 236.314 4.144 30 1 BIEF C=C(C)[C@@H]1CCCC(C(=O)O)=C2CC[C@H](C)[C@@H]2C1 59589179 TUBOXLVGLLONIH-ZOWXZIJZSA-N 248.366 4.180 30 1 BIEF biogenic,in-vitro C=C[C@@](C)(O)C[C@@H]1CC(C)=CCC1=C(C)C 32141985 LCXFGBNEANUFOH-DZGCQCFKSA-N 220.356 4.006 30 1 BIEF CCCCCCCCC/C=C(\Cl)CO 85887674 XKUWSNNZFUIIGO-BENRWUELSA-N 218.768 4.242 30 1 BIEF C/C1=C/CC(C)(C)[C@@H](C#N)CC(=O)/C(C)=C\CC1 169370273 GFOSUVFAUICCJZ-HHBURTLHSA-N 245.366 4.188 30 1 BIEF C=CCCCCC/C=C\C=C\CCCO 238786135 BMUOQNDSVXIXIV-QNRZBPGKSA-N 208.345 4.008 30 1 BIEF C=C1C=C[C@H]([C@](C)(O)CCC=C(C)C)CC1 13377577 RDSMIFXZAITLNM-LSDHHAIUSA-N 220.356 4.006 30 1 BIEF biogenic COc1ccccc1/N=C1/C=C(O)CC(C)(C)C1 103520912 PGRLQBBLVKTKMI-WJDWOHSUSA-N 245.322 4.030 30 1 BIEF C=C[C@]1(C)CCC[C@@H](C)C(=O)[C@H]1C=C(C)C 238781151 FCBUZHIFBNFXDJ-UMVBOHGHSA-N 220.356 4.150 30 1 BIEF C=C(CC/C=C(/C)CO)[C@@H]1CC=C(C)CC1 13377603 HBVOEGGRCJCMLG-KSKAUBAUSA-N 220.356 4.008 30 1 BIEF CC(C)=CCC=C(C)[C@@H]1CC[C@@]2(C)O[C@H]2C1 2356372316 BOWJPMUUGHPAAF-QLFBSQMISA-N 220.356 4.247 30 1 BIEF C=C1CC[C@@H](C)[C@]2(C)C[C@H]3[C@H]4C[C@@]12C[C@@]34C 263638225 SQNCNPSIELBAFJ-MGVVGCBASA-N 216.368 4.415 30 1 BIEF CCCCCC(=O)/C=C/c1ccc(F)c(F)c1 1911571048 IGYPZJRMFIHSBR-SOFGYWHQSA-N 238.277 4.127 30 1 BIEF C=CCCCCCCCC#CC#CC=CC(C)=O 2356725921 BYMYEOMWXBDPSN-UHFFFAOYSA-N 242.362 4.055 30 1 BIEF C=C1[C@H]2CC[C@H]3[C@@H]2[C@H](C(C)C)CC[C@]13C 100897146 VOBBUADSYROGAT-XPABHHOTSA-N 204.357 4.271 30 1 BIEF in-vitro CC1=CC[C@@]2(CC1=O)C(=C(C)C)CC[C@H]2C 59778845 GCGYSSVLNKVBEK-DOMZBBRYSA-N 218.340 4.048 30 1 BIEF CCCC/N=C1\C[C@H]2CC[C@]1(C)C2(C)C 1772614182 JSLGLIINTIBPOJ-QCKHNATKSA-N 207.361 4.074 30 1 BIEF C=C[C@]1(C)CC[C@H]2C(C)(C)CCC[C@]2(C)O1 13383091 GRDWJTGVDHHNNH-CFVMTHIKSA-N 222.372 4.327 30 1 BIEF biogenic C=CC(C)(C)c1cc2c(cc1O)C=CC(C)(C)O2 28972353 NGIOBTJUOUOZNP-UHFFFAOYSA-N 244.334 4.040 30 1 BIEF C=C[C@]1(C)CC[C@H]2[C@@H]([C@H]1C(=C)C)C2(C)C 85850227 LKQMMFFQYMYQOJ-SFDCQRBFSA-N 204.357 4.437 30 1 BIEF in-man C#CC/C=C\C/C=C\C/C=C\C/C=C\C 238752272 ARCMPTSGGFWPHN-GZDWWAIGSA-N 200.325 4.425 30 1 BIEF CC1=CCC[C@@H]2O[C@@]2(C)CC=CC(C)(C)C1 2356469354 JXRRJAPYKWLLHV-ZFWWWQNUSA-N 220.356 4.247 30 1 BIEF C=C1C[C@@H]2C[C@]2(C)CC[C@@H]2[C@H]1CC2(C)C 2356486684 AGHOGWGDKOQAOS-COMQUAJESA-N 204.357 4.415 30 1 BIEF CC/C=C/C=C/C=C\C=C\CCCCC=O 231932500 ZSDGTOPNWLXOHV-YHKXIBPRSA-N 218.340 4.381 30 1 BIEF CC#Cc1ccc2c(ccc3ccccc32)c1 36088235 HLIAEOKZFZFZNK-UHFFFAOYSA-N 216.283 4.364 30 1 BIEF C=C1CC[C@H]2[C@H]1[C@@H]1[C@@H](C(C)C)CC[C@]21C 59064310 YIRAHEODBQONHI-CAEXGNQWSA-N 204.357 4.271 30 1 BIEF in-man C=CC(C)=CC=C[C@](C)(O)CCCC(=C)C 2356607550 LSUUSRKHODHNSS-OAHLLOKOSA-N 220.356 4.172 30 1 BIEF C=CC(=C)CCC=C(C)CC[C@H]1OC1(C)C 2356523530 VLCSIBCFYWQTOS-CQSZACIVSA-N 220.356 4.413 30 1 BIEF C=CCc1cc(OCCC(C)C)ccc1OCC 103287532 CMSCOBIMZOTSHT-UHFFFAOYSA-N 248.366 4.239 30 1 BIEF COc1ccc(Cl)cc1C#CCC1=CCCC1 587899427 CVDUQCZBXUAQPJ-UHFFFAOYSA-N 246.737 4.201 30 1 BIEF C=C1CC[C@H](C(C)C)c2cc(C)c(O)cc21 13381383 YEWOGJYBUGDKLQ-GFCCVEGCSA-N 216.324 4.247 30 1 BIEF biogenic C=C[C@@H](O)C#CCC=CC=CCCCCCCC 2356686567 KKAHGGJBKUXDNQ-QGZVFWFLSA-N 246.394 4.400 30 1 BIEF C=C1CC[C@@H]2[C@H](C)CC[C@@H]3[C@@H]([C@H]12)C3(C)C 2356713438 IRCZVRWQUNZGSH-FZGMBXNASA-N 204.357 4.271 30 1 BIEF C[C@@H]1CCCC2=C[C@H](C#N)[C@@H]3[C@@H](C3(C)C)[C@]21C 2356626565 CHWSGROQUOSJCE-CXKPUVAFSA-N 229.367 4.165 30 1 BIEF CC(C)=CCCC(C)=C1CC[C@@]2(C)O[C@@H]2C1 2356556935 UFBLHNHPWIIREM-HUUCEWRRSA-N 220.356 4.391 30 1 BIEF C=C1CC[C@@H](C)C(C)(C)[C@H]1C=CC(=O)CC 2356588921 MIRFZFVOZQLFTF-OCCSQVGLSA-N 220.356 4.150 30 1 BIEF C=C1CCC=C(C)CC[C@@H](C(=C)C)C[C@@H]1O 2356737789 FCDRTOJMUHXAJJ-CABCVRRESA-N 220.356 4.006 30 1 BIEF CC1=CC[C@]2(CC1)C(=C(C)C)C(=O)C[C@H]2C 13307502 ZZDZYXINURVBJN-IUODEOHRSA-N 218.340 4.048 30 1 BIEF biogenic Cc1ccc(/C=C2\C(=O)[C@H]3CC[C@H]2C3(C)C)cc1 137873716 VFTURGJPQCAITG-TZNPFNDMSA-N 240.346 4.014 30 1 BIEF C=C1CC[C@@H]2[C@H]([C@@H]3[C@@H]1CC[C@H]3C)C2(C)C 69482261 ITYNGVSTWVVPIC-XGFWRYKXSA-N 204.357 4.271 30 1 BIEF biogenic,in-vitro C=C1CCC=C(C)CC[C@@H]2[C@@H]([C@@H]1OC)C2(C)C 2356690621 FBVPCRFFPHHGLA-QLFBSQMISA-N 234.383 4.350 30 1 BIEF C=CC(=O)C(CC)=C(SCC)c1ccccc1 2356845178 OCEKNORWUKDJPN-UHFFFAOYSA-N 246.375 4.316 30 1 BIEF C=C1CC[C@H]([C@H](C)CCC=C(C)C)C[C@@H]1O 2356437441 SKAUBXZIXVGASZ-SNPRPXQTSA-N 222.372 4.086 30 1 BIEF C=C1C(C)=C[C@]2(C)CC[C@H]3[C@H](C)CC[C@]132 137203793 WBXUOIDEYMLLNE-KJEVXHAQSA-N 202.341 4.335 30 1 BIEF C=C1C[C@@H]2C[C@]2(C)CC[C@H]2[C@@H]1CC2(C)C 2356486685 AGHOGWGDKOQAOS-CXTNEJHOSA-N 204.357 4.415 30 1 BIEF C=N[C@]1(C)CCC(C(C)C)=C[C@@H]2[C@@H](C)CC[C@@H]21 2356534138 HUHDWKHAQNMWGU-DRPJVOAASA-N 233.399 4.484 30 1 BIEF C#CC(C)(C)Oc1ccc(-c2ccccc2)cc1 49808383 WKNBHRQOZITRDV-UHFFFAOYSA-N 236.314 4.144 30 1 BIEF C=CCc1cc(-c2cc(F)cc(F)c2)ccc1O 72142875 WKCZZXJHJJXBOY-UHFFFAOYSA-N 246.256 4.066 30 1 BIEF C/C=C/C=C\C(=O)c1coc2ccc(Cl)cc12 587275666 DHARWHQCLSJJDT-IAROGAJJSA-N 246.693 4.401 30 1 BIEF C=C[C@](C)(O)CCC=C(C)CC=CC(=C)C 2356521360 UNWOAULNQCFIRQ-HNNXBMFYSA-N 220.356 4.172 30 1 BIEF C=C1CCC[C@]2(C)CC[C@@](C)(C(=C)C(=O)O)C[C@@H]12 2356579733 CYEPMWTWHPYWLF-NUEKZKHPSA-N 248.366 4.180 30 1 BIEF C=C1C=C[C@H]([C@H](C)CC(=O)C=C(C)C)CC1 3645387 JIJQKFPGBBEJNF-KGLIPLIRSA-N 218.340 4.070 30 1 BIEF endogenous,in-man C=CCCCC/C=C\C=C/C#CC#C/C=C\C 195765526 ZJZNMXVJKYOSGJ-FZJIAEQOSA-N 224.347 4.428 30 1 BIEF C=C1C=C[C@@H]([C@@](C)(O)CCC=C(C)C)CC1 13377578 RDSMIFXZAITLNM-CABCVRRESA-N 220.356 4.006 30 1 BIEF biogenic C=C1CC[C@H]2[C@@H]1[C@H]1[C@@H](C(C)C)CC[C@@]21C 59588574 YIRAHEODBQONHI-KHMAMNHCSA-N 204.357 4.271 30 1 BIEF biogenic,in-vitro C=C1CC[C@H](C)C(C)(C)[C@@H]1/C=C/C(=O)CC 14592157 MIRFZFVOZQLFTF-JMRXXTBOSA-N 220.356 4.150 30 1 BIEF C/C=C(\C)C(=O)c1coc2ccc(Cl)cc12 587275793 GDAPNZASAAUWKV-FPYGCLRLSA-N 234.682 4.235 30 1 BIEF C=C1CC[C@H]2[C@@H](CC2(C)C)C(=C)CC/C1=N/O 3978556 LAVOESILOACOFW-PDOPJTIDSA-N 233.355 4.165 30 1 BIEF in-vitro C=C1C[C@@H]2C[C@]2(C)CC[C@H]2[C@H]1CC2(C)C 2356486686 AGHOGWGDKOQAOS-OSFYFWSMSA-N 204.357 4.415 30 1 BIEF C=CCCC[C@H]1CCC[C@@H](CCCC=C)N1 15121883 AFBIHOXBWUXQRS-GASCZTMLSA-N 221.388 4.210 30 1 BIEF biogenic C=C(C)[C@@H]1CC[C@]2(C)[C@H](O)C[C@H](C)C(=C)[C@@]2(C)C1 2356470530 DOQBFZAEDKJWNP-IIHMKKKESA-N 248.410 4.332 30 1 BIEF CCCC#CC#CC=CC=CCCCC 2356542002 KEGIXEDOWRUBQR-UHFFFAOYSA-N 200.325 4.096 30 1 BIEF CC1=C[C@@H]2C(C)(C)CCC[C@@]3(C)O[C@@]23CC1 2356330074 FDCRKPAGAMPEAD-YUELXQCFSA-N 220.356 4.081 30 1 BIEF C=C[C@](C)(O)CC=C[C@H](C)CC=CC(=C)C 2356657703 QQTBOCIWZDVCSA-CABCVRRESA-N 220.356 4.028 30 1 BIEF C=C(C)N(O)[C@H](C)c1cccc(OCCCC)c1 29569702 LDZVRZURHACLEX-CYBMUJFWSA-N 249.354 4.151 30 1 BIEF CCCCCCC=CCC#CCCCC(=O)O 2356747793 ZHTKUVBMSJKGAR-UHFFFAOYSA-N 236.355 4.161 30 1 BIEF FC(F)(F)c1ccc(/C=N/c2ccccc2)cc1 36406225 CRXNASHBGWAMAY-VCHYOVAHSA-N 249.235 4.456 30 1 BIEF C=C(C)[C@@H]1CC[C@H](C)c2ccc(C)nc2C1 15265302 RVJOTNIWFWVNRS-WCQYABFASA-N 215.340 4.022 30 1 BIEF biogenic C=C[C@]1(C)CCC=C(C)C(=O)[C@@H]1C=C(C)C 2356500303 RDFQCGZMVJGWAD-DZGCQCFKSA-N 218.340 4.070 30 1 BIEF C=C(CC(=O)C=C(C)C)[C@@H]1CC=C(C)CC1 100826434 LRDZCBICVMXPBB-CQSZACIVSA-N 218.340 4.214 30 1 BIEF endogenous,in-man CCC(=N\O)/C(C)=C/c1ccc(F)c(Cl)c1 140856156 REQRXYTVHDTROQ-QWPOMPHKSA-N 241.693 4.123 30 1 BIEF CCCCCCC=CC[C@H](C)CC(=O)O 2356326068 TWLSFPVFHKAYFT-LBPRGKRZSA-N 212.333 4.014 30 1 BIEF C=C1[C@H]2CC[C@H](C2)[C@H]2C[C@@H](C(C)C)C[C@@H]12 138669152 DFUVGLKCFAASAU-AIEDFZFUSA-N 204.357 4.271 30 1 BIEF C=C(C)[C@H]1[C@@H]2[C@@H](C)CC[C@H]3[C@H](C)CC[C@]321 85916661 ZNVSGENNKBLLJB-HCDMYHGNSA-N 204.357 4.271 30 1 BIEF in-man C=C1CC[C@H]2C[C@@]3([C@H](C)CC[C@H]13)C2(C)C 2356450075 HOMAFFTYQJEIDP-COMQUAJESA-N 204.357 4.415 30 1 BIEF C=N[C@@H]1[C@H](C(C)C)CC[C@@H](C)[C@]12C=C(C)CC2 2356569973 UIFMZXIMBFQLQN-QXSJWSMHSA-N 233.399 4.484 30 1 BIEF C/C(=N\c1ccccc1C)Nc1ccccc1C 1533570 NLJBTNGUZPDXMM-UHFFFAOYSA-N 238.334 4.465 30 1 BIEF C=C1CC[C@H]2[C@@H](C3=C(C)CC[C@@H]13)C2(C)C 85739056 DKAGYTWZAOJITC-OBJOEFQTSA-N 202.341 4.335 30 1 BIEF biogenic,in-vitro C=C[C@@]1(C)CC[C@@]2(O1)C(C)=CC[C@@H](C)[C@H]2C 140214099 CVZXLAAMZXBCMM-REBRKWNGSA-N 220.356 4.103 30 1 BIEF CC/C=C\C(=O)c1coc2ccc(Cl)cc12 587276150 KZAPNXPIQYCPMU-ARJAWSKDSA-N 234.682 4.235 30 1 BIEF C=C1CC[C@H]2[C@@H]([C@@H]3[C@@H](C)CC[C@H]13)C2(C)C 85739456 ITYNGVSTWVVPIC-VJTDZRGJSA-N 204.357 4.271 30 1 BIEF in-man CC(C)=CCC=C(C)[C@@H]1CC[C@]2(C)O[C@@H]2C1 2356372315 BOWJPMUUGHPAAF-KFWWJZLASA-N 220.356 4.247 30 1 BIEF CC(C)=CCCC(C)=C1CC[C@]2(C)O[C@H]2C1 2356556934 UFBLHNHPWIIREM-GJZGRUSLSA-N 220.356 4.391 30 1 BIEF CC1=C2C(=O)[C@H](C(C)C)CC[C@@]2(C)CCC1 111960573 LRSNSCWFOBGPBP-SWLSCSKDSA-N 220.356 4.128 30 1 BIEF C=CCC(C)(C)c1nc2cc(C)c(C)cc2[nH]1 587954085 BNNYRDRLHVDESQ-UHFFFAOYSA-N 228.339 4.033 30 1 BIEF C=CCCC(=O)c1coc2ccc(Cl)cc12 587276109 JPQOPZUUORKZQG-UHFFFAOYSA-N 234.682 4.235 30 1 BIEF CC[C@H](C)c1ccc2[nH]c(C(F)F)c(C#N)c2c1 587643192 SLQRQVHMMHOHIR-QMMMGPOBSA-N 248.276 4.491 30 1 BIEF CCC=CC#CC#CCC=CCCCC 2356641102 DBJLSDLXQCVBSI-UHFFFAOYSA-N 200.325 4.096 30 1 BIEF CCCCCCC[C@H]1OC(=O)c2ccccc21 43589884 PSMIIZNPBOWPKW-CQSZACIVSA-N 232.323 4.259 30 1 BIEF CCCCCCCCCC[n+]1cccc(C)c1 44181994 PWYMFIKRESQIBO-UHFFFAOYSA-N 234.407 4.423 30 1 BIEF C=C1C=CC(C)(C)CCC(=O)C(C)=CCC1 2356411566 STWOXFRHRGEHEV-UHFFFAOYSA-N 218.340 4.214 30 1 BIEF CCCCCCC/C=C\CC#CC#CC(=O)CC 215663062 BMJXFIZZZPHNND-KHPPLWFESA-N 244.378 4.279 30 1 BIEF CC(C)=C1C[C@@]2(C)[C@H](C)CCC[C@@H]2CC1=O 15201134 HMLGXKHWABZSIS-JMSVASOKSA-N 220.356 4.128 30 1 BIEF endogenous,in-man N#Cc1c(C2CCC2)[nH]c2ccc(F)c(Cl)c12 587631020 UVBXGYMHJZKEIK-UHFFFAOYSA-N 248.688 4.100 30 1 BIEF CC/C=C/C=C/C=C\CCCCCC=O 238785494 ABHMXTQMQYXWML-CQXHLCGLSA-N 206.329 4.214 30 1 BIEF CCC[C@H](C)c1[nH]c2cc(F)ccc2c1C#N 587635756 QYXAZOWLZAGVKX-VIFPVBQESA-N 230.286 4.082 30 1 BIEF C=CCC[C@@H](c1ccc(C(=O)O)cc1)C(C)C 15122214 KLVTYTKUZOEOKS-CQSZACIVSA-N 232.323 4.091 30 1 BIEF biogenic C=C(C)[C@@H]1CCCC(C(=O)O)=C2CC[C@@H](C)[C@H]2C1 2356404651 TUBOXLVGLLONIH-LALPHHSUSA-N 248.366 4.180 30 1 BIEF C=C1[C@@H]2[C@@H](C(C)C)CC[C@]3(C)[C@H]1CC[C@H]23 231206568 NPUYQBJGTDYSTJ-XLWJZTARSA-N 204.357 4.271 30 1 BIEF CCCCCCCCCCCc1c[nH]c(N)n1 42920151 NIHSSZCUNFMNGL-UHFFFAOYSA-N 237.391 4.065 30 1 BIEF C=C1C=C[C@H]2[C@H]3[C@H](C(C)C)CC[C@]2(C)[C@@H]13 104371006 ADVJSMBYHNLAGK-RMEBNNNOSA-N 202.341 4.047 30 1 BIEF in-man C=N[C@]1(C(C)C)CC2[C@@]3(C)CC[C@@]2(C)CC1C3 2356487283 VRULTZJTKVBCDC-XJCPWDRGSA-N 233.399 4.318 30 1 BIEF CCC=CC=CC=CCCCCCC=O 2356527247 ABHMXTQMQYXWML-UHFFFAOYSA-N 206.329 4.214 30 1 BIEF C=C1CC[C@H]2[C@H](CC2(C)C)C(=C)CC/C1=N/O 3978557 LAVOESILOACOFW-ZHNYTEGSSA-N 233.355 4.165 30 1 BIEF in-vitro CC1=CCC[C@]2(C)CC(=O)C(=C(C)C)C[C@@H]12 15207419 LLUFBBLIDQULSW-DZGCQCFKSA-N 218.340 4.048 30 1 BIEF biogenic,in-vitro C=CC(=O)C#C/C=C/C=C/C=C/CCCCCC 59201833 DTNFWVVBWUHBOW-OFYUHDMGSA-N 242.362 4.384 30 1 BIEF C=C1CC[C@H]2C(C)=Cc3occ(C)c3C[C@@H]12 60247538 OBTNEYCNZNYGEG-STQMWFEESA-N 214.308 4.130 30 1 BIEF CC1=CC[C@@]2(C)CCC(C)(C)CC2=CC1=O 14718208 OZPMXIYTJXWCBY-HNNXBMFYSA-N 218.340 4.048 30 1 BIEF biogenic C=C[C@H](OCCC)c1ccc(OCCC)cc1 28334229 VAYPBPFEUHBKMI-HNNXBMFYSA-N 234.339 4.129 30 1 BIEF Cc1cc(Cl)cc2c(C(C)C)c(CC#N)[nH]c12 587623918 AJMRUZUEVBYIHX-UHFFFAOYSA-N 246.741 4.319 30 1 BIEF CCCCCCCCCC(=O)[C@@H](S)CC 73156101 JBRKLUJOQYHLTP-ZDUSSCGKSA-N 230.417 4.405 30 1 BIEF C/C1=C/C(=O)[C@H](C(C)C)CC/C(C)=C\CC1 100781851 RESNWHKKMVJDFA-AWOVNWSUSA-N 220.356 4.294 30 1 BIEF endogenous,in-man C[C@H]1[C@H](/N=C/c2ccccc2)C[C@@H]2C[C@H]1C2(C)C 66103528 MTHYXCZXIZDHPM-MUSIEBNYSA-N 241.378 4.176 30 1 BIEF C[C@H]1CCCC2=C[C@H](C#N)[C@H]3[C@H](C3(C)C)[C@@]21C 40861874 CHWSGROQUOSJCE-OYCUPVHPSA-N 229.367 4.165 30 1 BIEF C=CC(C)(C)c1ccc2c(c1)CCC(C)(C)O2 15120939 UOAFENNMVGLPQQ-UHFFFAOYSA-N 230.351 4.254 30 1 BIEF biogenic C#C/C=C\C/C=C\C/C=C\C/C=C\CC 137283846 UXCPLHLHLSGSJK-MEIICLQDSA-N 200.325 4.425 30 1 BIEF C=C1CC[C@H](C)C(C)(C)[C@@H]1C=CC(=O)CC 2356588919 MIRFZFVOZQLFTF-GXTWGEPZSA-N 220.356 4.150 30 1 BIEF CC1(C)CC(=O)C=C(/C=C/c2ccccc2)C1 36389294 DSEMSHBPVBACRO-CMDGGOBGSA-N 226.319 4.015 30 3 BIEF C=C1C[C@H]2C=C[C@@]3(C[C@H](C)C[C@H]13)[C@H]1[C@H]2C1(C)C 2356515862 DOHWJOOELSKDKQ-QFCZPAJMSA-N 228.379 4.437 30 1 BIEF C=CCCCC[C@@H]1CC[C@H](CCCCC)N1 13437555 OIWAVEMUOWGFIX-LSDHHAIUSA-N 223.404 4.434 30 1 BIEF biogenic C=C1[C@H]2CC[C@]3(C)[C@H](C2)[C@H](C)CC[C@@]13C 103542751 QQWUXXGYAQMTAT-MYBUGEPTSA-N 204.357 4.415 30 1 BIEF biogenic,in-vitro CCCCCCCCCCC[N+](C)(C)C 38158615 QDUATGYYXKDLEI-UHFFFAOYSA-N 214.417 4.223 30 1 BIEF Cc1cccnc1/N=C/c1cccc2ccccc12 103274991 PZSYCMPVRVNJOI-XDHOZWIPSA-N 246.313 4.294 30 1 BIEF C=C(CCC=C(C)C)[C@@H]1CC[C@]2(C)O[C@@H]2C1 13377516 GCCYGVVSKKTGJQ-KFWWJZLASA-N 220.356 4.247 30 1 BIEF biogenic C=C(C)c1cc2c(C)cc(C)cc2nc1CC 653856967 AVAYUBPNMNLKJG-UHFFFAOYSA-N 225.335 4.447 30 1 BIEF C=C[C@@](C)(O)CC=C[C@@H](C)CC=CC(=C)C 2356657706 QQTBOCIWZDVCSA-LSDHHAIUSA-N 220.356 4.028 30 1 BIEF C/C=C/C(=O)OCCCCCCCCCC 100312076 YANIUXGLDWVFLW-UUILKARUSA-N 226.360 4.246 30 1 BIEF C=C(C)[C@@H]1CC[C@@]2(C)CCC(=O)C[C@]2(C)C1 5081096 VESUMYPXHVXDJI-SNPRPXQTSA-N 220.356 4.128 30 1 BIEF endogenous,in-man CSc1ccc(-c2ccc(F)cc2)cc1C#N 28359770 DKQJKBALXKRCSC-UHFFFAOYSA-N 243.306 4.086 30 1 BIEF CC(C)=CC(=O)/C=C(\C)CCCc1ccoc1 164947990 KPYPPWAWICYALB-JLHYYAGUSA-N 232.323 4.084 30 1 BIEF C=CCCCC/C=C\C=C\C#CC#C/C=C/C 195765534 ZJZNMXVJKYOSGJ-MRDNXZFNSA-N 224.347 4.428 30 1 BIEF CC1=CCC[C@@H]2[C@@](C)(CC=O)[C@H](C)CC[C@@]12C 38254864 MPWIIQYWQOBNKS-UGUYLWEFSA-N 234.383 4.374 30 1 BIEF CCCCCCCCCCCNc1ncccn1 66111477 VQCWXVIYGXSTTA-UHFFFAOYSA-N 249.402 4.419 30 1 BIEF C=C[C@]1(C)CC[C@@H]2[C@@H]([C@@H]1C(=C)C)C2(C)C 100826397 LKQMMFFQYMYQOJ-UKTARXLSSA-N 204.357 4.437 30 1 BIEF endogenous,in-man C=C1CC[C@@H]2[C@H](CC2(C)C)C(=C)CC/C1=N/O 3978559 LAVOESILOACOFW-ZJWOPCONSA-N 233.355 4.165 30 1 BIEF in-vitro C=C1CC[C@H]2[C@H]3[C@@H]1[C@]2(C)CC[C@@H]3C(C)C 59206468 UPVZPMJSRSWJHQ-GZBLMMOJSA-N 204.357 4.271 30 1 BIEF biogenic,in-vitro C/C=C/C=C/C#C/C=C/C=C/CCCC 238751205 CJWIXKFZAOSKKE-RXYQNJLSSA-N 200.325 4.425 30 1 BIEF CC[C@H](C)c1ccc2[nH]c(C)c(CCC#N)c2c1 587643411 UDSQKCRVMRHQEW-NSHDSACASA-N 240.350 4.446 30 1 BIEF N#Cc1cc2ccc(F)cc2c2ccccc12 1857555294 WKUMSMIMSXBSRE-UHFFFAOYSA-N 221.234 4.004 30 1 BIEF C=C1C=C[C@H]([C@@](C)(O)CCC=C(C)C)CC1 13377576 RDSMIFXZAITLNM-GJZGRUSLSA-N 220.356 4.006 30 1 BIEF biogenic C=CC#Cc1ccc(-c2ccc(C)s2)s1 13380421 OZUJLEZCMIGWSN-UHFFFAOYSA-N 230.357 4.323 30 1 BIEF biogenic CCc1c(CC#N)[nH]c2ccc([C@H](C)CC)cc12 587639856 AABASQMHQPSJFX-LLVKDONJSA-N 240.350 4.310 30 1 BIEF C=C1CC[C@H]2C[C@@H]3[C@H](C)CC[C@@]13C2(C)C 85618483 SLTLKLCDQWGISZ-CQROYNQRSA-N 204.357 4.415 30 1 BIEF in-vitro C=C1CC[C@H]2[C@@H]([C@@H]3C(C)=CC[C@H]13)C2(C)C 85739023 HDUMORZKKNOYSS-RQJABVFESA-N 202.341 4.191 30 1 BIEF in-man C=C1C=C[C@H]([C@H](C)CC[C@H]2OC2(C)C)CC1 13377502 KUMXAXTZJVESSY-HZSPNIEDSA-N 220.356 4.103 30 1 BIEF biogenic C=C1C=C(Cc2ccoc2)[C@H](C(C)C)CC1 14638701 KRTIKWUQGOJDNI-HNNXBMFYSA-N 216.324 4.371 30 1 BIEF biogenic CCCCCCCC[C@H](C)C[C@H](C)C(=O)O 102181058 LLUSAGIILYQJOM-STQMWFEESA-N 228.376 4.484 30 1 BIEF C=C1C=C[C@H]2[C@H]3[C@H](C(C)C)CC[C@@]2(C)[C@@H]13 104371002 ADVJSMBYHNLAGK-SBJFKYEJSA-N 202.341 4.047 30 1 BIEF endogenous,in-man CC(C)=CCC[C@H](C)[C@H]1CC=C(C)C(=O)C1 2356352372 RXQJYYWBIOOIKD-JSGCOSHPSA-N 220.356 4.294 30 1 BIEF C=C1CC[C@](C)([C@@H]2C[C@@H]3C(C)=C[C@H]32)[C@H]1C 2356378777 WHGLQEZJYTZGDZ-JARUQAPTSA-N 202.341 4.191 30 1 BIEF C=C1CC[C@@H]2[C@@H](CC[C@@]3(C)[C@@H](O)CC[C@H]23)C1(C)C 29477899 HKMSOXFYCYBRLW-WVCIDPQESA-N 248.410 4.166 30 1 BIEF CCCCCCC[C@H](O)/C=C/c1ccc(O)cc1 653707807 SRGPMOAVEYUMCN-SHQCLWGWSA-N 248.366 4.127 30 1 BIEF Cc1cc(Cl)cc2c(C#N)c([C@H]3C[C@H]3C)[nH]c12 587624438 JKZFDAYOIOWVQM-XCBNKYQSSA-N 244.725 4.125 30 1 BIEF CCCCCCCCC=C=CC=CC(=O)OC 2356486930 JHJVZZKILRZRKO-UHFFFAOYSA-N 236.355 4.178 30 1 BIEF C=C1CC[C@@H]2[C@@H]([C@@H]3C(C)=CC[C@@H]13)C2(C)C 100780028 HDUMORZKKNOYSS-DGAVXFQQSA-N 202.341 4.191 30 1 BIEF endogenous,in-man CCCCCCCC/C=C/CCOC(C)=O 3161415 NLVAHXQJCLXFGL-ZHACJKMWSA-N 226.360 4.246 30 1 BIEF C=C[C@@](C)(O)C=CC=C(C)CCC=C(C)C 2356532688 UIMSQVVHHIUQOZ-OAHLLOKOSA-N 220.356 4.172 30 1 BIEF CCCCCCCC/C=C\C=C/CCO 137520726 GWWPQBNGOIHGBF-BASFJDSNSA-N 210.361 4.232 30 1 BIEF C/C=C\C=C/C#C/C=C\C=C/CCCCCC=O 221227935 LIRHSECKYIWWMK-XYPBADGASA-N 242.362 4.384 30 1 BIEF CC[C@@H](C)c1ccc2[nH]c(C(F)F)c(C#N)c2c1 587643177 SLQRQVHMMHOHIR-MRVPVSSYSA-N 248.276 4.491 30 1 BIEF C=C1C=C[C@H]([C@@H](C)CC[C@@H]2OC2(C)C)CC1 13377503 KUMXAXTZJVESSY-IHRRRGAJSA-N 220.356 4.103 30 1 BIEF biogenic C=C1CC[C@H]2C(=C)CC[C@H]3[C@@H]([C@@H]12)C3(C)C 85739068 JNXBLAGJPYZBMG-XUXIUFHCSA-N 202.341 4.191 30 1 BIEF biogenic,in-vitro CCC(=O)C(C)=CC=CC=Cc1ccccc1 2356581340 SKODEUFDEDHSSM-UHFFFAOYSA-N 226.319 4.181 30 1 BIEF C=C(C)[C@@H]1CC[C@@]2(C)[C@H](O)C[C@H](C)C(=C)[C@]2(C)C1 238786383 DOQBFZAEDKJWNP-WFKFIOEPSA-N 248.410 4.332 30 1 BIEF C=C1CCCC(C)(C)[C@@]12CC=C(C(=O)OC)CC2 2356618366 OVQHWFHZIYQFDO-MRXNPFEDSA-N 248.366 4.022 30 1 BIEF C=C1CC[C@@H]2[C@H]3[C@H](C(C)C)CC[C@]2(C)[C@@H]13 59206334 UPVZPMJSRSWJHQ-QRTUWBSPSA-N 204.357 4.271 30 1 BIEF in-vitro C=C1CC/C=C(\C)C/C=C/C(C)(C)C[C@H]1O 70455183 NMGJCQNNUTYSJJ-CELRUTASSA-N 220.356 4.006 30 1 BIEF biogenic,in-vitro C=C[C@](C)(O)CC[C@@H]1C(=C)CCCC1(C)C 14609777 AGPMIYKLQKQYMC-HIFRSBDPSA-N 222.372 4.086 30 1 BIEF biogenic C=CCc1cccc(OCCCC)c1OCCC 103284794 GKNRNNGIVWFMFJ-UHFFFAOYSA-N 248.366 4.383 30 1 BIEF Cc1ccncc1-c1ccc2cc(C#N)ccc2c1 40976978 BVEDDOVOLJETRX-UHFFFAOYSA-N 244.297 4.082 30 1 BIEF in-vivo C=N[C@H]1C[C@@H]2[C@@H]3C[C@@]1(C)C[C@@]2(C)C[C@H]3C(C)C 238754362 IAXXENPNKIEPSX-FBRBKTQXSA-N 233.399 4.174 30 1 BIEF CCCCCCC/C=C\CC#CC#C/C=C\O 238756261 ZGBDZNJITKGHDP-APAMCJOLSA-N 230.351 4.372 30 1 BIEF C=C[C@@](C)(O)CC[C@]1(C)C(C)=CCC[C@H]1C 85898400 QDCZYOGIXLTGNL-RBSFLKMASA-N 222.372 4.086 30 1 BIEF C=C1CC[C@H]2[C@@H](CC2(C)C)C(=C)CCC1=NO 2356697664 LAVOESILOACOFW-STQMWFEESA-N 233.355 4.165 30 1 BIEF C=CCc1cccc2nc(/C=C\CCCC)[nH]c12 587966827 YGDQVDGEOYSRSF-GHXNOFRVSA-N 240.350 4.495 30 1 BIEF C=C1C[C@H](C=C(C)C)O[C@]12CC=C(C)CC2 2356707003 DMWIBWPAOJKKQP-GJZGRUSLSA-N 218.340 4.167 30 1 BIEF C=C(C(=O)c1cccs1)c1ccc(Cl)cc1 29318739 JHTIFWKXTUMGIY-UHFFFAOYSA-N 248.734 4.298 30 1 BIEF C=C(C)c1sc(-c2ccccc2)nc1C 12725958 CCOZJAPKKKJLFJ-UHFFFAOYSA-N 215.321 4.152 30 3 BIEF C=N[C@@H]1C[C@@H]2[C@@H]3C[C@@]1(C)C[C@@]2(C)C[C@H]3C(C)C 238779267 IAXXENPNKIEPSX-JTAWPXLSSA-N 233.399 4.174 30 1 BIEF C=C(c1ccccc1)[C@H](C#N)C1CCCC1 206036258 QQRCXEBATMYAMD-HNNXBMFYSA-N 211.308 4.030 30 3 BIEF C/C1=C/CC[C@@]2(C)O[C@@H]2CC(C)(C)/C=C/C1 12153510 RKQDKXOBRXTSFS-FTFIOASISA-N 220.356 4.247 30 1 BIEF C=C(C)[C@@H]1[C@@H]2[C@H](C)CC[C@@H]3[C@@H](C)CC[C@]123 257786804 ZNVSGENNKBLLJB-ZYIYBEKCSA-N 204.357 4.271 30 1 BIEF endogenous,in-man C=C[C@@](C)(O)C/C=C/C(=C)CCC=C(C)C 238784897 QYOAJBZJIIFSBC-KUCQQTCKSA-N 220.356 4.172 30 1 BIEF C=C1CCC=C(C)CC[C@@H]2[C@H]([C@H]1OC)C2(C)C 2356690620 FBVPCRFFPHHGLA-KFWWJZLASA-N 234.383 4.350 30 1 BIEF C=C1CCC2=C(C)CC[C@H](C(C)C)[C@]2(C)[C@H]1O 84154596 UYPQLBYLQLEOIU-KBMXLJTQSA-N 234.383 4.086 30 1 BIEF biogenic,in-vitro CCCCC(=N\O)/C(C)=C/c1ccc(F)cc1 116360570 ALEGZXFLOSZQFJ-OIPGSKEASA-N 235.302 4.249 30 1 BIEF C=C[C@@](C)(O)CC[C@H]1C(=C)CCCC1(C)C 14609779 AGPMIYKLQKQYMC-DZGCQCFKSA-N 222.372 4.086 30 1 BIEF biogenic C=C1CC[C@H]2[C@H]1CC(C)(C)C[C@@H]1C[C@]21C 238778560 WXGMXZIDGRJJPK-OSFYFWSMSA-N 204.357 4.415 30 1 BIEF CCCCCCCCCC=C=CCC(=O)O 102181750 PPGZINTUQYPGJL-UHFFFAOYSA-N 224.344 4.313 30 1 BIEF CCCCCCCCC(C(C)=O)=C(C)O 2356705683 ZURBKLVBMRSBLE-UHFFFAOYSA-N 212.333 4.158 30 1 BIEF C=C1[C@H]2CC[C@@H]([C@@H]2OC)[C@]1(C)C1CCCCC1 2356498050 HRBNCGSOQFTBBJ-QXSJWSMHSA-N 234.383 4.184 30 1 BIEF CCc1ccccc1/C=C/C(=O)c1ccccc1 40952324 JYCJZMGAMVXYDE-OUKQBFOZSA-N 236.314 4.145 30 1 BIEF CCCCCCC/C=C\CCCCCO 85922476 MVQIAKPRNQLLOQ-HJWRWDBZSA-N 212.377 4.456 30 1 BIEF C=CCc1cccc2nc(C(C)(C)CC=C)[nH]c12 587954310 OHLQDQGFRICVPN-UHFFFAOYSA-N 240.350 4.145 30 1 BIEF C=C1/C=C/C(C)(C)CCC(=O)/C(C)=C/CC1 238772189 STWOXFRHRGEHEV-YJDDGFGUSA-N 218.340 4.214 30 1 BIEF CC(C)=CCCC(C)=C1CC[C@@]2(C)O[C@H]2C1 2356556936 UFBLHNHPWIIREM-LSDHHAIUSA-N 220.356 4.391 30 1 BIEF C=C1C/C=C\C(C)(C)C/C=C(/C)CC[C@@H]1O 14441777 ZHCPVYWHSOILQL-ILKSWMJDSA-N 220.356 4.006 30 1 BIEF endogenous,in-man C=C[C@@]1(C)CC[C@H](C(C)C)C(=O)[C@H]1C(=C)C 15150048 GWHRSRIPLDHJHR-NFAWXSAZSA-N 220.356 4.006 30 1 BIEF in-man CCCCCC[C@]1(C)SC(O)=C(CC)C1=O 101029097 KDQAMJNBEXOCBF-ZDUSSCGKSA-N 242.384 4.211 30 1 BIEF CCc1[nH]c2ccc([C@@H](C)CC)cc2c1C#N 587640387 CQFRIKNBYBZBTE-JTQLQIEISA-N 226.323 4.115 30 1 BIEF C#CC=CCCCCCCCCC=CC#C 2356468205 UMWPLZIRFJHHGK-UHFFFAOYSA-N 214.352 4.486 30 1 BIEF CC(C)=C1CC2=C(C)CC[C@H]2[C@@H](C)CC1=O 15264607 KOBSLTSXWKEUCB-RYUDHWBXSA-N 218.340 4.048 30 1 BIEF endogenous,in-man C=CCOC/C=C/CCCCCCCC 238756366 XOGRIOGKVYWODE-VAWYXSNFSA-N 210.361 4.496 30 1 BIEF C=C1[C@H]2CC[C@@H](C2)[C@@H]2C[C@H](C(C)C)C[C@H]12 2356582209 DFUVGLKCFAASAU-AHDPXTMNSA-N 204.357 4.271 30 1 BIEF C=N[C@]1(C)[C@H]2C[C@H]3C[C@@](C)(C2)[C@H]1C[C@H]3C(C)C 2356431610 WXLVKPBZRJHHII-WGGGBPLMSA-N 233.399 4.174 30 1 BIEF C=CC(C)=CC(=O)C[C@H](C)CCC=C(C)C 2356491738 PWAJZVGEZYELLR-CQSZACIVSA-N 220.356 4.460 30 1 BIEF CCCCCCCC[C@H](C)C[C@@H](C)C(=O)O 102181048 LLUSAGIILYQJOM-QWHCGFSZSA-N 228.376 4.484 30 1 BIEF C=C(C)[C@@H]1[C@H]2[C@@H](C)CC[C@H]2[C@]2(C)CC[C@H]12 141595244 UEHKTJFOLYEULK-RHTUOURWSA-N 204.357 4.271 30 1 BIEF COc1ccc(Cl)cc1C#CC1=CCCCC1 587912610 SWAJIIAUYHQBNE-UHFFFAOYSA-N 246.737 4.201 30 1 BIEF C=CC1=C2C[C@H](C(=C)C)CC[C@@]2(C)C[C@H](O)C1 2356657616 ODLUJUIUQUTYMQ-FMKPAKJESA-N 232.367 4.006 30 1 BIEF C=CC1=C2C[C@H](C(=C)C)CC[C@]2(C)C[C@@H](O)C1 2356657618 ODLUJUIUQUTYMQ-IJEWVQPXSA-N 232.367 4.006 30 1 BIEF C=CCCC[C@@H]1CCC[C@H](CCCCC)N1 15121886 PUPRMDZKLKQJOS-CABCVRRESA-N 223.404 4.434 30 1 BIEF biogenic CCCCCCCCC/C(C)=C\C(=O)OC 169622340 JZLCLHMKXWJMOR-SEYXRHQNSA-N 226.360 4.246 30 1 BIEF C=N[C@]1(C)[C@H]2C[C@H]3C[C@@](C)(C2)[C@H]1C[C@@H]3C(C)C 2356431609 WXLVKPBZRJHHII-UGYDUONOSA-N 233.399 4.174 30 1 BIEF C=CCCCC/C=C\C=C/C#CC#C/C=C/C 195765529 ZJZNMXVJKYOSGJ-NLBXNPPRSA-N 224.347 4.428 30 1 BIEF C=C1CC[C@@H]2[C@H]([C@@H]3C[C@@H](C)C[C@@H]13)C2(C)C 2356368506 LMBFQYDLTPDCPT-RORMEEMCSA-N 204.357 4.271 30 1 BIEF CC/C=C\C=C\C=C/C=C\CCCCC=O 217903425 ZSDGTOPNWLXOHV-SDOBVRSVSA-N 218.340 4.381 30 1 BIEF C/C1=C\CC(C)(C)/C=C/C[C@]2(C)O[C@@H]2CC1 13298599 QTGAEXCCAPTGLB-QDVCDFMTSA-N 220.356 4.247 30 1 BIEF in-vitro CC1(C)CC(O)=C/C(=N/c2ccccc2F)C1 104103713 AQGBWOMOWFNYGZ-YBEGLDIGSA-N 233.286 4.160 30 1 BIEF C=C1[C@H]2CC[C@@H]3[C@@H]2C(C)(C)CCC[C@@]13C 100043236 PDSNLYSELAIEBU-BHPKHCPMSA-N 204.357 4.415 30 1 BIEF C=C(CCC=C(C)C)[C@@H]1CC[C@@](C)(O)[C@@H]1C 13386873 RJXMRBKKBWFPSU-QLFBSQMISA-N 222.372 4.086 30 1 BIEF biogenic C=C1CC[C@H]2[C@H](CC2(C)C)C(=C)CCC1=NO 2356697660 LAVOESILOACOFW-OLZOCXBDSA-N 233.355 4.165 30 1 BIEF C=C[C@@](C)(O)CC/C=C(\C)C/C=C/C(=C)C 140403075 UNWOAULNQCFIRQ-ARUOWJMMSA-N 220.356 4.172 30 1 BIEF CC(C)=CC(=O)C[C@@H](C)C1=CC[C@@H](C)CC1 2356333642 VHCBXKYNMTVEAT-CHWSQXEVSA-N 220.356 4.294 30 1 BIEF C=C1CC[C@@H]2[C@@H]([C@@H]3[C@@H](C)CC[C@@H]13)C2(C)C 100780038 ITYNGVSTWVVPIC-QNSTZXKLSA-N 204.357 4.271 30 1 BIEF endogenous,in-man C=N[C@@H]1C[C@H]2[C@H]3C[C@@]1(C)C[C@@]2(C)C[C@@H]3C(C)C 2356709511 IAXXENPNKIEPSX-JOWFITRBSA-N 233.399 4.174 30 1 BIEF Cc1cc(Cl)cc2c(C#N)c([C@@H]3C[C@H]3C)[nH]c12 587624402 JKZFDAYOIOWVQM-GMSGAONNSA-N 244.725 4.125 30 1 BIEF C=CCC(C)(C)c1nc2ccc(C)c(C)c2[nH]1 587954503 XWFUCJVLCWJDSE-UHFFFAOYSA-N 228.339 4.033 30 1 BIEF O=[P+](Cc1ccccc1)Cc1ccccc1 61854997 FMUCRQUNKQURRJ-UHFFFAOYSA-N 229.239 4.214 30 3 BIEF CC=CC#CC#CCC=CCCCCCCC=O 2356503772 SGSOBSVIWVCZSE-UHFFFAOYSA-N 242.362 4.055 30 1 BIEF C=C(CC[C@@H]1OC1(C)C)[C@@H]1CC=C(C)CC1 13377521 MGENYQSHSWSTRW-KGLIPLIRSA-N 220.356 4.247 30 1 BIEF biogenic CC(CS)=C1[C@H]2CC[C@]2(C)[C@H]2CC[C@@H](C)[C@@H]12 2356424286 MOLPJMOYBINZPO-DJEPCVJESA-N 236.424 4.325 30 1 BIEF CCCCCCCC[C@@H](C)C[C@@H](C)C(=O)O 102181043 LLUSAGIILYQJOM-CHWSQXEVSA-N 228.376 4.484 30 1 BIEF C=C(C)N(O)[C@@H](C)c1cccc(OCCCC)c1 29569705 LDZVRZURHACLEX-ZDUSSCGKSA-N 249.354 4.151 30 1 BIEF CC(C)=CC(=O)C=C(C)CCCc1ccoc1 2356447955 KPYPPWAWICYALB-UHFFFAOYSA-N 232.323 4.084 30 1 BIEF C=C1CCCC(C)(C)[C@@H]1CCC(C)=CC(=O)O 2356866589 WGEZRSYMRXPKPN-CYBMUJFWSA-N 236.355 4.180 30 1 BIEF CCC(=O)/C=C/[C@@H]1C(C)=CC[C@H](C)C1(C)C 14592153 JJCHHEFOILUZAW-JMRXXTBOSA-N 220.356 4.150 30 1 BIEF CCCCCCCCn1cc[n+](C2CCCC2)c1 72106527 ZBSKFYHNIQHRDL-UHFFFAOYSA-N 249.422 4.251 30 1 BIEF C=C1CC[C@H]([C@@H](C)CCC=C(C)C)C[C@H]1O 2356437439 SKAUBXZIXVGASZ-AEGPPILISA-N 222.372 4.086 30 1 BIEF CCCCCCC[n+]1c(C)sc2ccccc21 96928480 BFSIQUBKRYTLCH-UHFFFAOYSA-N 248.415 4.468 30 1 BIEF C=CC(=C)CC[C@@]1(C)[C@@H](C)CCC(=O)[C@@H]1C 14717426 VUUNGTQYCBZQDW-YDHLFZDLSA-N 220.356 4.150 30 1 BIEF CCCCCCCCC[C@H](C)CC(=O)OC 238739243 DQZFMUMNBXBWKT-ZDUSSCGKSA-N 228.376 4.326 30 1 BIEF C=C[C@@](C)(O)CC/C=C/CCC=C(C)C 238731609 BLWFGFXUISFSJL-IZPAUZPXSA-N 208.345 4.006 30 1 BIEF C=C1[C@H]2CC[C@@H]3[C@H]2[C@@H](C(C)C)CC[C@@]13C 100196865 VOBBUADSYROGAT-ZSAUSMIDSA-N 204.357 4.271 30 1 BIEF in-vitro CC(C)=CC/C=C(/C)[C@H]1CC[C@@]2(C)O[C@@H]2C1 100220439 BOWJPMUUGHPAAF-HHBAYHCQSA-N 220.356 4.247 30 1 BIEF biogenic,in-vitro C=C1CC[C@H]2C[C@]3(C)CCC(C)(C)[C@H]3[C@H]12 238770201 YZTNUNFLAAHBMK-JLNYLFASSA-N 204.357 4.415 30 1 BIEF CC1=CCC(=C(C)C)C(=O)C=C(C)CCC1 2356328978 NOWZBRLFRHWZOY-UHFFFAOYSA-N 218.340 4.359 30 1 BIEF C/C(=N\[C@H]1C[C@@H]2CC[C@@H]1C2)Nc1ccccc1C 100814815 UXGVBEZDJTXWGO-FMKPAKJESA-N 242.366 4.014 30 1 BIEF C=C1CCC[C@H](C)C=C[C@H](C(=C)C)C(=O)C1 2356793653 HJXPPNYEHQHFNM-GXTWGEPZSA-N 218.340 4.070 30 1 BIEF C=C(C)[C@@H]1[C@@H]2[C@H](C)CC[C@@H]3[C@H](C)CC[C@@]123 257786797 ZNVSGENNKBLLJB-LWGJEFJTSA-N 204.357 4.271 30 1 BIEF endogenous,in-man C=C1CC[C@H]2C[C@@]3([C@@H](C)CC[C@@H]13)C2(C)C 2356450074 HOMAFFTYQJEIDP-ABHRYQDASA-N 204.357 4.415 30 1 BIEF C=C[C@]1(C)CC[C@H]2[C@H]([C@H]1C(=C)C)C2(C)C 104374601 LKQMMFFQYMYQOJ-KYEXWDHISA-N 204.357 4.437 30 1 BIEF in-man C=C[C@@](C)(O)CCC[C@H](C)CCC=C(C)C 13538760 NZWVRMHQZPQHLI-HUUCEWRRSA-N 224.388 4.476 30 1 BIEF biogenic CCCCCCCC=CCC#CC#CC(=O)CC 2356426490 BMJXFIZZZPHNND-UHFFFAOYSA-N 244.378 4.279 30 1 BIEF CC=CC#CC#CC=CCCCCC(=O)CCC 2356675129 IIFDEYOLAIRRBS-UHFFFAOYSA-N 242.362 4.055 30 1 BIEF CCCCCCCC/C=C\C=C/CC(=O)O 62238050 YRUMHTHCEZRHTN-BASFJDSNSA-N 224.344 4.324 30 1 BIEF CC(C)=CC(=O)C=C(C)[C@H]1CC=C(C)CC1 2356654887 OJEFBZMKKJTKKK-AWEZNQCLSA-N 218.340 4.214 30 1 BIEF CCCCCCC[C@H](CCCCC)NC(C)=O 86002266 RMTOFKWPCZJSGD-HNNXBMFYSA-N 241.419 4.432 30 1 BIEF CC(C)CCC=C1C(=O)[C@@]2(C)CC[C@H]1C2(C)C 2356304768 DTJZROOJTHRHMV-CZUORRHYSA-N 234.383 4.374 30 1 BIEF CCC(=O)C=C[C@@H]1C(C)=CC[C@H](C)C1(C)C 2356571922 JJCHHEFOILUZAW-GXTWGEPZSA-N 220.356 4.150 30 1 BIEF C=C1C[C@]2(C)CC[C@@H]1C[C@H]1[C@@H]2CC[C@H]1C 102945437 NPHFULIVCUBDDN-OLOXDWRXSA-N 204.357 4.415 30 1 BIEF C=C1[C@@H]2CC[C@H](C)[C@@]23CC[C@H](C3)C1(C)C 136744746 VBZRHXLPRWBPEH-QJZXMWHDSA-N 204.357 4.415 30 1 BIEF C=C1CC=CC(C)(C)CC=C(C)CC[C@@H]1O 2356635472 ZHCPVYWHSOILQL-AWEZNQCLSA-N 220.356 4.006 30 1 BIEF CC(C)=C1CC2=C(CC[C@H]2C)[C@H](C)CC1=O 15264549 WJQUHMZHLUTNPJ-GHMZBOCLSA-N 218.340 4.048 30 1 BIEF endogenous,in-man C=C(C)[C@@H]1CCC[C@H](C)C2=C(C1)[C@@H](C)CC2=O 59587440 SABXRZFPMOIAHR-RWMBFGLXSA-N 232.367 4.294 30 1 BIEF biogenic,in-vitro C=C[C@@](C)(O)CC/C=C(\C)CCCC(=C)C 147197411 XCQMKMYPKNZRCW-ATGUSINASA-N 222.372 4.396 30 1 BIEF C=C1CCC2=C(C)CC[C@@H]3[C@H]([C@H]12)C3(C)C 231207259 OBPKUBNSEKJPHY-MGPQQGTHSA-N 202.341 4.335 30 1 BIEF C=C[C@@H](O)[C@H]1[C@H]2CC[C@@H]3[C@H]2C(C)(C)CCC[C@]13C 28645668 UETSWYUUVWBKJB-YXJUNQHRSA-N 248.410 4.022 30 1 BIEF CCCCCCC/C=C\CC#CC#CCCCO 43888855 TXNKJZICGHLGKD-HJWRWDBZSA-N 246.394 4.073 30 1 BIEF CCCCCCCCCCCC(=O)CC=O 59725527 XLYLQUQHYUOPIW-UHFFFAOYSA-N 226.360 4.065 30 1 BIEF endogenous,in-man C=C1CC[C@@H]2[C@@H]3[C@H]1[C@]2(C)CCCC3(C)C 100197511 DQOVXHMHLOWECL-QVHKTLOISA-N 204.357 4.415 30 1 BIEF in-vitro C=C1C/C=C/C(C)(C)C/C=C(/C)CCC1=O 33831636 ZZYRTNAABNHZCH-UDKPHDTFSA-N 218.340 4.214 30 1 BIEF biogenic,in-vitro C=C1C=C[C@@H]2[C@@H]3[C@H](C(C)C)CC[C@]2(C)[C@H]13 100781006 ADVJSMBYHNLAGK-ZQNQSHIBSA-N 202.341 4.047 30 1 BIEF endogenous,in-man CC/C=C\C=C/C=C\C=C/CCCCC=O 217903296 ZSDGTOPNWLXOHV-WKSFOPBCSA-N 218.340 4.381 30 1 BIEF C=CCCCCCC(=O)CCC#CC#C/C=C\C 15269390 XADNQMILXIIQET-HYXAFXHYSA-N 242.362 4.055 30 1 BIEF C=C1CC[C@]23C[C@H]1C(C)(C)[C@H]2CC[C@@H]3C 85599056 DYLPEFGBWGEFBB-KYEXWDHISA-N 204.357 4.415 30 1 BIEF C=C1[C@H]2CC[C@]3(C2)[C@@H](C)CC[C@@H]3C1(C)C 139395322 RFSYBMDOYOBTCL-DNVSUFBTSA-N 204.357 4.415 30 1 BIEF C=C1CC[C@@H]2O[C@@]23CCC[C@@H](C3)[C@@H]2[C@@H]1CC2(C)C 85547360 KQMYIFYTDKKQMM-LVNYTYFRSA-N 246.394 4.327 30 1 BIEF biogenic,in-vitro C=C[C@]1(C)CCCC(C)(C)[C@H]1CCC(C)=O 14693911 JIDIEEMOEVEUCA-UKRRQHHQSA-N 222.372 4.374 30 1 BIEF biogenic CCCCCCCCCC=C(Cl)CO 2356586385 XKUWSNNZFUIIGO-UHFFFAOYSA-N 218.768 4.242 30 1 BIEF C=CC(C)(C)c1nc2ccc(C(C)(C)C)cc2[nH]1 587954281 MWQPYTLHPCDTLI-UHFFFAOYSA-N 242.366 4.324 30 1 BIEF CC(=O)/C=C(\O)C(CC=C(C)C)CC=C(C)C 14618763 TVNMOCBBNOUQNC-GDNBJRDFSA-N 236.355 4.346 30 1 BIEF C=CCC(C)(C)c1nc2cc(C)c(Cl)cc2[nH]1 587954543 ZLLHYCBADMLRME-UHFFFAOYSA-N 248.757 4.378 30 1 BIEF CCCCCCC[n+]1ccc(C)c2ccccc21 72139398 FQQRAXHRMSOPFT-UHFFFAOYSA-N 242.386 4.406 30 1 BIEF C=C1CCC[C@@H]2CCC[C@H]3[C@@H]([C@@H]12)C3(C)C 238765534 DWDYZEGXLHAWQJ-RFGFWPKPSA-N 204.357 4.415 30 1 BIEF C[C@@H]1CC[C@]2(C#N)[C@H](C)CC[C@@H]3[C@@H]([C@@H]12)C3(C)C 2356560516 TZTAUYZWUIVIIT-DIBLEFCOSA-N 231.383 4.245 30 1 BIEF CCCCCCCC[N+](C)(C)Cc1ccc[cH-]1 100441112 UBHITOBIKLOWLE-UHFFFAOYSA-N 235.415 4.342 30 1 BIEF N#Cc1c(-c2ccccc2)sc2ccccc12 28816856 GVXALBKXNVOBIY-UHFFFAOYSA-N 235.311 4.440 30 1 BIEF CCCCCCCC/C=C\CCOC(C)=O 59725092 NLVAHXQJCLXFGL-KHPPLWFESA-N 226.360 4.246 30 1 BIEF Cc1ccc(C(=O)C=CC=Cc2ccccc2)cc1 1857741946 RZQJWYNOZJISEX-UHFFFAOYSA-N 248.325 4.447 30 1 BIEF C=C1CC[C@@H]2O[C@]2(C)C[C@H]2CCC[C@@]3(C)C[C@H]1[C@@H]23 85547343 QKNQNUADXBWQBX-RGGMIXCSSA-N 246.394 4.327 30 1 BIEF biogenic,in-vitro C=C1C=Cc2c(C)coc2CC(C)=CCC1 2356673925 RUCGLEIOAIGXFL-UHFFFAOYSA-N 214.308 4.440 30 1 BIEF C=C(C)[C@@H]1CCC[C@]2(C)O[C@]23CC[C@@H](C)[C@H]3C1 2356364655 ZOSBJLACINPYIM-SUJAAXHWSA-N 234.383 4.327 30 1 BIEF C=C1CC[C@@H]2O[C@]2(C)CC[C@@]2(C)[C@@H]1CC2(C)C 2356646172 RSYBQKUNBFFNDO-BFJAYTPKSA-N 234.383 4.327 30 1 BIEF O=C(/C(Cl)=C/c1ccccc1)c1ccccc1 6001819 QVJBOBWETDUBFS-KAMYIIQDSA-N 242.705 4.149 30 1 BIEF C=C1C[C@@H](C=C(C)C)O[C@]12CC=C(C)CC2 238789760 DMWIBWPAOJKKQP-CABCVRRESA-N 218.340 4.167 30 1 BIEF C=C1CC[C@H]([C@@H](C)CCC=C(C)C)C[C@@H]1O 2356437440 SKAUBXZIXVGASZ-QEJZJMRPSA-N 222.372 4.086 30 1 BIEF C=C1CCC2=C(C)CC[C@H](C(C)C)[C@@]2(C)[C@@H]1O 2356759504 UYPQLBYLQLEOIU-FVQBIDKESA-N 234.383 4.086 30 1 BIEF C=N[C@]1(C)CC[C@@H]2C(C)=CC[C@@H](C(C)C)[C@@H]2C1 2356463791 NCFGNZFSMBNYFG-XUWVNRHRSA-N 233.399 4.484 30 1 BIEF C=C1[C@H]2[C@H]3CC[C@@H]1[C@@]3(C)CCCC2(C)C 59778768 OYBHJKDJMRMSLX-SFDCQRBFSA-N 204.357 4.415 30 1 BIEF C=C(C)[C@H]1[C@@H]2CC[C@]2(C)[C@H]2CC[C@@H](C)[C@H]21 44387766 UEHKTJFOLYEULK-MNQBEEPXSA-N 204.357 4.271 30 1 BIEF C=C(C)[C@H]1[C@@H]2[C@H](C)CC[C@@H]3[C@H](C)CC[C@]213 85916635 ZNVSGENNKBLLJB-PMXAPFLYSA-N 204.357 4.271 30 1 BIEF in-man CCCCCCCC[C@H](C)CCC#CC#CCO 86051479 XIPKJBRKFFRDDS-KRWDZBQOSA-N 248.410 4.152 30 1 BIEF C=C(CC(=O)C=C(C)C)[C@H]1CC=C(C)CC1 100826432 LRDZCBICVMXPBB-AWEZNQCLSA-N 218.340 4.214 30 1 BIEF endogenous,in-man Cc1ccc(/C=C2/C(=O)[C@H]3CC[C@H]2C3(C)C)cc1 113443564 VFTURGJPQCAITG-RTZSPXFWSA-N 240.346 4.014 30 1 BIEF CC[C@H](C)c1ccc2[nH]c(CC#N)c(C)c2c1 587640953 HLSASSONUYFDIG-JTQLQIEISA-N 226.323 4.056 30 1 BIEF C=C(C)[C@H]1[C@H]2[C@@H](C)CC[C@H]3[C@@H](C)CC[C@@]312 100825787 ZNVSGENNKBLLJB-GXYBRJDSSA-N 204.357 4.271 30 1 BIEF endogenous,in-man CC/C=C/C=C/C=C\C=C/CCCCC=O 217903513 ZSDGTOPNWLXOHV-BEGPLMEHSA-N 218.340 4.381 30 1 BIEF C=CC[C@@H]1CCCc2c1nc1cccc3c1c2CC3 587215544 QCYNQYYRFWPVJB-CYBMUJFWSA-N 249.357 4.329 30 1 BIEF C=C1CC[C@@H]2O[C@]2(C)CC[C@]2(C)[C@@H]1CC2(C)C 2356646174 RSYBQKUNBFFNDO-OCVGTWLNSA-N 234.383 4.327 30 1 BIEF C=C[C@](C)(O)CC=CC(C)=CCCC(=C)C 2356423811 KXWFKKHUJPRJDG-HNNXBMFYSA-N 220.356 4.172 30 1 BIEF CC1(C)CC(O)=C/C(=N/c2cccc(F)c2)C1 102819156 LKPTXYDSBDZYLY-VBKFSLOCSA-N 233.286 4.160 30 1 BIEF C=C1[C@H]2CC[C@@](C=O)(C2)[C@@]1(C)C1CCCCC1 2356681872 JCRWOQXUQIVJIW-IMJJTQAJSA-N 232.367 4.128 30 1 BIEF C/C=C/C#CC#CC/C=C/CCCCCCC=O 221230523 SGSOBSVIWVCZSE-SCIPBJTFSA-N 242.362 4.055 30 1 BIEF CCCCCCC=CC[C@@H](C)CC(=O)O 2356326067 TWLSFPVFHKAYFT-GFCCVEGCSA-N 212.333 4.014 30 1 BIEF C=C1CC[C@@H](O)C(C)=CCCC(C)(C)CC1 2356668411 PAGSXLWQSGUSAH-CQSZACIVSA-N 222.372 4.230 30 1 BIEF C=C[C@]1(C)CC[C@]2(O1)C(C)=CC[C@H](C)[C@H]2C 13431239 CVZXLAAMZXBCMM-MYPMTAMASA-N 220.356 4.103 30 1 BIEF biogenic CC(C)=C1C[C@]2(C)[C@@H](CCC[C@H]2C)CC1=O 15201137 HMLGXKHWABZSIS-XUJVJEKNSA-N 220.356 4.128 30 1 BIEF endogenous,in-man C=CC[C@@H](Nc1ccccc1)c1cccs1 29058334 OCGSQXWJDWBJNR-CYBMUJFWSA-N 229.348 4.477 30 1 BIEF C/C1=C\CC(C)(C)/C=C\C[C@@]2(C)O[C@@H]2CC1 136520789 QTGAEXCCAPTGLB-FNFCFPHGSA-N 220.356 4.247 30 1 BIEF biogenic CCCCCCCCC/C(C)=C/C(=O)OC 137574558 JZLCLHMKXWJMOR-OUKQBFOZSA-N 226.360 4.246 30 1 BIEF CCC/C=C/C#C/C=C/C=C/CCC/C=C\CO 15269695 QXEADSLKXWHOJZ-VRHPQXBFSA-N 244.378 4.177 30 1 BIEF CCCCCCCCc1nccnc1SC 43300410 WRMWXTXUDAAVIW-UHFFFAOYSA-N 238.400 4.102 30 1 BIEF CCC(=O)C=C[C@H]1C(C)=CC[C@@H](C)C1(C)C 2356571924 JJCHHEFOILUZAW-OCCSQVGLSA-N 220.356 4.150 30 1 BIEF CCCCCCC[C@H](O)C[C@@H](O)CCCCC 43380029 XASHDJKQKGFGOI-GJZGRUSLSA-N 244.419 4.039 30 1 BIEF C=C(C)[C@@H]1CCC[C@@]2(C)O[C@]23CC[C@H](C)[C@@H]3C1 59588476 ZOSBJLACINPYIM-NPJQDHAYSA-N 234.383 4.327 30 1 BIEF biogenic,in-vitro CC1=CCC(C)(C)C=CC(=O)[C@@H](C)CCC1 2356471837 AVAUYZGSANWIET-ZDUSSCGKSA-N 220.356 4.294 30 1 BIEF C=CC(=C)CCC=C(C)CC[C@@H](O)C(=C)C 2356499259 ZUBJVKZEJBWGRE-OAHLLOKOSA-N 220.356 4.172 30 1 BIEF CC(C)=C1C(=O)CC[C@H](C)[C@H]2CCC(C)=C12 14887592 OONKKRRSPIDEBA-CMPLNLGQSA-N 218.340 4.048 30 1 BIEF biogenic C[C@@H]1CC[C@@]2(C#N)[C@@H]1[C@@H]1[C@@H](CC[C@H]2C)C1(C)C 2356560517 TZTAUYZWUIVIIT-UNVMTRKTSA-N 231.383 4.245 30 1 BIEF Cc1cc(Cl)cc2c(C#N)c(C3CCC3)[nH]c12 587624817 SZDNAEVJDLSLLW-UHFFFAOYSA-N 244.725 4.269 30 1 BIEF CC(CS)=C1[C@H]2[C@H](CC[C@H]2C)[C@]2(C)CC[C@@H]12 2356424289 MOLPJMOYBINZPO-XTYGHYOUSA-N 236.424 4.325 30 1 BIEF C=N[C@]1(C)CC[C@@H]2[C@H]([C@@H]3[C@@H](C)CC[C@H]31)C2(C)C 2356558726 KCJUCYNJJYJRCR-RYQQKAPKSA-N 233.399 4.174 30 1 BIEF C[C@@H]1CC[C@]2(C#N)[C@H](C)CC[C@@H]3[C@H]([C@@H]12)C3(C)C 2356560519 TZTAUYZWUIVIIT-XFBSOKCSSA-N 231.383 4.245 30 1 BIEF CCCCCCCC=CCC#CC#CC=CO 2356593856 ZGBDZNJITKGHDP-UHFFFAOYSA-N 230.351 4.372 30 1 BIEF C=C1[C@H]2CC[C@]3(C2)[C@H](CC[C@H]3C)C1(C)C 79275190 RFSYBMDOYOBTCL-CQROYNQRSA-N 204.357 4.415 30 1 BIEF CC(C)=CC(=O)C[C@H](C)C1=CC[C@H](C)CC1 2356333645 VHCBXKYNMTVEAT-STQMWFEESA-N 220.356 4.294 30 1 BIEF C=C(CC/C=C(\C)CO)[C@H]1CC=C(C)CC1 13377604 HBVOEGGRCJCMLG-WQPBDQAGSA-N 220.356 4.008 30 1 BIEF C=C(C)[C@@H]1CC[C@@]2(C)CC(CNC)=CC(C)=C2C1 85550201 LEMNXGGNIKMILQ-WBVHZDCISA-N 245.410 4.235 30 1 BIEF biogenic,in-vitro C=C1C[C@@H]2CC[C@H](C)[C@@]23CC(C)(C)C[C@H]13 2356530405 CPNKKZQGNNFQGD-XPCVCDNBSA-N 204.357 4.415 30 1 BIEF C=CCCC[C@@H]1CCC[C@@H](CCCCC)N1 15121885 PUPRMDZKLKQJOS-HUUCEWRRSA-N 223.404 4.434 30 1 BIEF biogenic C/C1=C/CC(C)(C)[C@@H](C#N)CC(=O)/C(C)=C/CC1 169370274 GFOSUVFAUICCJZ-ZTFYJHKQSA-N 245.366 4.188 30 1 BIEF C=C(CC/C=C(/C)CO)[C@H]1CC=C(C)CC1 13377602 HBVOEGGRCJCMLG-XNISGLLXSA-N 220.356 4.008 30 1 BIEF biogenic,in-vitro CC(C)=CC(=O)C[C@H](C)C1=CC[C@@H](C)CC1 2356333643 VHCBXKYNMTVEAT-OLZOCXBDSA-N 220.356 4.294 30 1 BIEF C=C1[C@H]2CC[C@@H]([C@@H]2OC)[C@@]1(C)C1CCCCC1 2356498049 HRBNCGSOQFTBBJ-QKPAOTATSA-N 234.383 4.184 30 1 BIEF C=N[C@]1(C)[C@H]2C[C@@H]3C[C@](C)(C2)[C@H]1C[C@H]3C(C)C 238774045 WXLVKPBZRJHHII-HIFUNWJGSA-N 233.399 4.174 30 1 BIEF C=C1CCC[C@]2(C)C[C@H](O)[C@@H](C(C)(C)C)C[C@H]12 2356430806 RDBMNHJYYPKUNW-ORIJERBGSA-N 236.399 4.166 30 1 BIEF CCO/N=C(C)\C=C\[C@H]1C(C)=CCCC1(C)C 103215416 PCAIXNIDNXEXFI-DCVVSJLWSA-N 235.371 4.338 30 1 BIEF C=N[C@@]1(C)CCC(C(C)C)=C[C@H]2[C@@H]1CC[C@H]2C 238777022 HUHDWKHAQNMWGU-OJLVUWQFSA-N 233.399 4.484 30 1 BIEF N#Cc1ccccc1-c1cc2ccccc2s1 6864889 PVNAFCFCFUGKCD-UHFFFAOYSA-N 235.311 4.440 30 1 BIEF CC(C)=C1CC2=C(C)CCC[C@@]2(C)CC1=O 15206905 NNSAURXTYJMJBI-HNNXBMFYSA-N 218.340 4.192 30 1 BIEF biogenic C=CCCCCC/C=C\C(=O)C#CC#CCCC 238753246 ZVPOCLFFKKSPRA-PEZBUJJGSA-N 242.362 4.055 30 1 BIEF C=C(C)CCC[C@]1(C)O[C@@]12CC=C(C)CC2 13377514 CXUNYWSOIZUEAV-LSDHHAIUSA-N 220.356 4.391 30 1 BIEF biogenic C=CCCCCCC/C=C/CCCCO 14722265 PDVOQGIVYBGHCJ-MDZDMXLPSA-N 210.361 4.232 30 1 BIEF C=C/C(C)=C/C(=O)C[C@H](C)CCC=C(C)C 15214185 PWAJZVGEZYELLR-JWAFFJSPSA-N 220.356 4.460 30 1 BIEF CCCCCCCC1=C[C@@H](O)c2ccccc2N1 100190538 POWHEIUYDWIFET-MRXNPFEDSA-N 245.366 4.390 30 1 BIEF in-vitro C=N[C@]1(C)CC[C@@H]2C(C)=CC[C@H](C(C)C)[C@@H]2C1 238749824 NCFGNZFSMBNYFG-LVQVYYBASA-N 233.399 4.484 30 1 BIEF C=C1CC[C@H]2[C@H]1CC(C)(C)C[C@H]1C[C@]12C 238767857 WXGMXZIDGRJJPK-PWNZVWSESA-N 204.357 4.415 30 1 BIEF CCCCCC/C=C/C=C/CCOC(C)=O 85659392 ZKUWHODMAHRIFM-BNFZFUHLSA-N 224.344 4.022 30 1 BIEF CC1(C)CC(O)=C/C(=N\C2CCCCC2)C1 103341456 HDOHMNSIIBJFLB-NTCAYCPXSA-N 221.344 4.022 30 1 BIEF CCCCCCCCCCC=CCCO 2356657391 DQELOVNSWGCVQZ-UHFFFAOYSA-N 212.377 4.456 30 1 BIEF C=C(C)[C@@H]1CC[C@@]2(C)CCC(=O)C[C@@]2(C)C1 16927596 VESUMYPXHVXDJI-VHDGCEQUSA-N 220.356 4.128 30 1 BIEF endogenous,in-man CC1=C2C(=O)[C@@H](C(C)C)CC[C@@]2(C)CCC1 15209692 LRSNSCWFOBGPBP-IUODEOHRSA-N 220.356 4.128 30 1 BIEF biogenic,in-vitro CCCCCCCC/C=C/C(=O)C(F)(F)F 103188407 MKNFAGQTRLXRAV-MDZDMXLPSA-N 236.277 4.425 30 1 BIEF C=C(C)[C@H]1CC=C(C)CCC=C(C)CC1=O 2356689170 ZVSZHMFUICOVPY-CQSZACIVSA-N 218.340 4.214 30 1 BIEF C=C1C=C[C@@H]([C@@H](C)CC[C@@H]2OC2(C)C)CC1 238746675 KUMXAXTZJVESSY-MJBXVCDLSA-N 220.356 4.103 30 1 BIEF CC1=C[C@@H]2O[C@H]2C(C)=CCC(C)(C)C=CC1 2356330931 CURDSHVMYFYNIX-KBPBESRZSA-N 218.340 4.023 30 1 BIEF C=C1CC[C@@H]2[C@H]([C@@H]3C[C@H](C)C[C@@H]13)C2(C)C 2356368507 LMBFQYDLTPDCPT-WJUUCBRBSA-N 204.357 4.271 30 1 BIEF CC(C)=CC(=O)C[C@H](C)C1CCC(C)CC1 59586226 QAKCVGRJXONNPI-MOKVOYLWSA-N 222.372 4.374 30 1 BIEF biogenic,in-vitro CCC=CC=CCCCCCCCC=O 2356377805 MDQSKCQQGXJOMN-UHFFFAOYSA-N 208.345 4.438 30 1 BIEF C=C1CC[C@@H]2[C@@H]1[C@@H]1[C@@H](C(C)C)CC[C@]12C 105366329 YIRAHEODBQONHI-ZSAUSMIDSA-N 204.357 4.271 30 1 BIEF endogenous,in-man