smiles zinc_id inchikey mwt logp reactive purchasable tranche_name features C=C(C)[C@H]1CC[C@@H](C)[C@]12CC(=C(C)C)C(=O)O2 13412541 KHOTZHZBHNDKOB-UXIGCNINSA-N 234.339 3.631 30 1 BHEF endogenous,in-man C=C[C@](C)(O)C[C@@H]1C=C(C)CC[C@@H]1C(=C)C 14560019 KPDSVTXZHWEKOQ-ZNMIVQPWSA-N 220.356 3.862 30 1 BHEF biogenic C=C(C)[C@H]1CC[C@@](C)(c2ccc(C)o2)O1 14723369 CCGNVBQNOBXWAI-YPMHNXCESA-N 206.285 3.558 30 1 BHEF biogenic CC1=CC2=C(C)C(=O)C[C@@H]2[C@@H](C)CC[C@@H]1C 95910832 CQXXASZOSSOFRW-OUJBWJOFSA-N 218.340 3.904 30 1 BHEF C=CCOc1ccccc1OCCC(C)C 103284925 VFXTZHHMKODRFR-UHFFFAOYSA-N 220.312 3.676 30 1 BHEF CC1=CC[C@@]2([C@@H](C)CC[C@H]3OC3(C)C)C[C@@H]12 238755162 MAJHBVOOMZYAJX-XPCVCDNBSA-N 220.356 3.936 30 1 BHEF C=C[C@]1(O)CC[C@@]2(C)[C@@H](C)CC[C@@]2(C)[C@H]1C 238766892 TUCSIUBDOHTKKQ-AICCOOGYSA-N 222.372 3.776 30 1 BHEF N#Cc1sc2ccccc2c1-c1cccnc1 28816755 IWQDJUPKFGMRRI-UHFFFAOYSA-N 236.299 3.835 30 1 BHEF C=C1CC[C@H](C(C)C)[C@@H]2C[C@@H](C)C(=O)C[C@@H]12 2356459037 YXYPLDHJBJSHKO-MQYQWHSLSA-N 220.356 3.840 30 1 BHEF CC(C)=C1C[C@@H]2O[C@]2(C)CCC[C@H](C)CC1=O 2356529449 HNWLYWCHTWWEOA-TUKIKUTGSA-N 236.355 3.650 30 1 BHEF C=CCCCC/C=C\C=C\C#CC#CC#CC 85507985 LEQCZKIMKYGCIQ-OBJKYRPYSA-N 222.331 3.875 30 1 BHEF biogenic,in-vitro C=C1[C@H]2C[C@H]2[C@]2(C)Cc3occ(C)c3C[C@@H]12 211382643 LSDFTLVXLBHDLA-QVHKTLOISA-N 214.308 3.515 30 1 BHEF C=CCC(C)(C)c1nc2c(C)cnc(Cl)c2[nH]1 587954435 UZPRDKWSXKPVAN-UHFFFAOYSA-N 249.745 3.773 30 1 BHEF O=C1C=C(Nc2cc(Cl)ccc2F)CCC1 1163454116 KGXBYYKUSRFDQV-UHFFFAOYSA-N 239.677 3.528 30 1 BHEF CC(C)[C@@H]1CC[C@H]2C=CC(=O)CC[C@]21C 2356405514 VRUKHLDBKYKEEU-KWCYVHTRSA-N 206.329 3.594 30 1 BHEF C=C[C@@](C)(O)CCC[C@@H](C)CC(=O)C=C(C)C 14452681 VQLQYAMTNKORFK-UKRRQHHQSA-N 238.371 3.655 30 1 BHEF biogenic,in-vitro C=C(C)[C@H]1CC[C@H](C)[C@]2(O)CCC(C)=C[C@H]12 238782402 PWEFVGUEHRMHKN-GBJTYRQASA-N 220.356 3.696 30 1 BHEF C=C[C@]1(C)CC[C@H](C(C)C)[C@H](O)[C@@H]1C(=C)C 257608667 WOULTTPZJDSDEI-CBBWQLFWSA-N 222.372 3.798 30 1 BHEF endogenous,in-man O=C1C(=Cc2ccco2)CCC1=Cc1ccco1 1857623138 UIVKNNAQRINTRE-UHFFFAOYSA-N 240.258 3.703 30 1 BHEF C=C1CCC[C@@H]2O[C@]2(C)C[C@@H]2[C@@H]1CC2(C)C 2356505719 MOYYYOOVDGFOGG-GUIRCDHDSA-N 220.356 3.936 30 1 BHEF C=C[C@@]1(C)CC[C@@H](C(C)C)[C@@H](O)[C@H]1C(=C)C 85664074 WOULTTPZJDSDEI-YJNKXOJESA-N 222.372 3.798 30 1 BHEF endogenous,in-man Cc1ccc2nc(-c3ccc(C)c(C#N)c3)[nH]c2c1 587187793 KTAHSSZGTQIJEZ-UHFFFAOYSA-N 247.301 3.718 30 1 BHEF CC[C@@H](C)C(=O)c1coc2cc(C#N)ccc12 587279617 YDBSTBGHNPAWEB-SECBINFHSA-N 227.263 3.533 30 1 BHEF C=C(CO)[C@@H]1CC[C@@]2(C)CCCC(C)=C2C1 15206949 ITRHZWKEZJYJQO-UKRRQHHQSA-N 220.356 3.842 30 1 BHEF biogenic C=C(C)[C@@H]1CC[C@@H](C)[C@]23CC[C@H](C)[C@@]2(C1)O3 85826889 RGRYQUWGSJPMMK-XLWJZTARSA-N 220.356 3.936 30 1 BHEF in-man CC[C@@H](CC[C@H]1OC1(C)C)c1ccccc1O 95576769 IXAAFWIAQVXXFS-SMDDNHRTSA-N 234.339 3.843 30 1 BHEF C/C=C/C(=O)c1coc2ccc(Cl)cc12 587276435 OWYPLHNZEZUPMY-NSCUHMNNSA-N 220.655 3.845 30 1 BHEF C=C1CC[C@@H]2O[C@@H]1[C@@H]1[C@H](C(C)C)CC[C@]21C 104374436 BITBXAWCPCNKKN-YYFQZIEXSA-N 220.356 3.792 30 1 BHEF in-man C=C1C(=O)O[C@H]2CC(C)=CCC=C(C)CC[C@@H]12 2356418244 CUGKULNFZMNVQI-KBPBESRZSA-N 232.323 3.551 30 1 BHEF C=CCCCCCC=CCC#C[C@@H](O)C=C 2356729903 QZLDIWJZTTVYKZ-HNNXBMFYSA-N 218.340 3.620 30 1 BHEF Cc1cccc([C@H](C#N)c2ccc(Cl)cc2)n1 95872992 NWAHFQRWYRPRCS-CYBMUJFWSA-N 242.709 3.699 30 1 BHEF CC(C)=CC(=O)C[C@H](C)c1ccc(C=O)cc1 137530026 JTOZFRBWEGDOGE-LBPRGKRZSA-N 230.307 3.528 30 1 BHEF C=C[C@@]1(C)CC[C@H]([C@H](C)c2ccc(C)o2)O1 238761471 RZQBBGYIEUNQIV-BNOWGMLFSA-N 220.312 3.815 30 1 BHEF CC1=C2C[C@@H](C)c3cc(C)ccc3N2CCC1=O 13813859 VJNBCORATKDAPO-LLVKDONJSA-N 241.334 3.555 30 1 BHEF CC1=C2C(=O)[C@@H]3CC[C@@H](C)[C@@]2(CC1)C3(C)C 14637873 JAWSHISYWRRQQQ-JRPNMDOOSA-N 218.340 3.738 30 1 BHEF endogenous,in-man C[C@@H]1CC[C@@H]2C[C@@]34O[C@]3(C)CC[C@]14C2(C)C 95911285 ZIEAVLBEUVSHIU-OKNSCYNVSA-N 220.356 3.770 30 1 BHEF biogenic,in-vitro C=C(C)[C@@H]1C=CC[C@@]23O[C@@H]2CC[C@@H](C)[C@]13C 95911342 WOYPMLLJPMHZHB-XLWJZTARSA-N 218.340 3.712 30 1 BHEF biogenic,in-vitro CCCCCCN(CC#N)c1ccccc1 473111362 ARTYBSRPUBBTFI-UHFFFAOYSA-N 216.328 3.597 30 1 BHEF CC1=CCC[C@]2(CO2)[C@H]2CC(C)(C)[C@@H]2CC1 2356588597 AURKDPLYMRHYAY-IPYPFGDCSA-N 220.356 3.938 30 1 BHEF C=C1C(=O)O[C@H]2/C=C(/C)CC/C=C(/C)CC[C@H]12 13831218 HRYLQFBHBWLLLL-HBYQJQKLSA-N 232.323 3.551 30 1 BHEF endogenous,in-man CCCCCCC[C@H](O)CC=CCCC(=O)O 2356447303 ZOHRMFGRPIENQB-ZDUSSCGKSA-N 242.359 3.519 30 1 BHEF C=C1[C@H](CO)C[C@]2(C)CC[C@H](C)[C@H](C)[C@@]12C 2356468380 YXKRFZOMBQXIBR-SIGLWIIPSA-N 222.372 3.633 30 1 BHEF CC1(C)CCC[C@@]2(C)[C@H]1CC[C@@]2(C)C=O 13374725 CNTXEQHESHSVFZ-UBHSHLNASA-N 208.345 3.818 30 1 BHEF C=C1CC/C=C(\C)C(=O)C[C@H]2[C@H]1CC2(C)C 105386678 KXSUIPOSVGSLQP-XBJLJFKASA-N 218.340 3.904 30 1 BHEF C[C@@H]1CCC2=C(C1=O)C(C)(C)C[C@H]1C[C@@]21C 169529076 GGVZJDBDOZDSMR-HFBDOXOYSA-N 218.340 3.738 30 1 BHEF C=C[C@](C)(O)CC[C@@H]1C(=C)[C@@H](C)CC=C1C 14954182 UAQRXAWGZKFMDP-CQDKDKBSSA-N 220.356 3.862 30 1 BHEF biogenic C=C1CCCC(C)=C[C@@H]2OC(=O)[C@H](C)[C@H]2CC1 2356330757 UZVSMYIAXFVOFU-MCIONIFRSA-N 234.339 3.631 30 1 BHEF C=C1CCC(C(C)C)=C[C@H]2[C@@H]1CC[C@]2(C)O 26833110 BUPJOLXWQXEJSQ-ILXRZTDVSA-N 220.356 3.696 30 1 BHEF C=CCCCC1=NCCc2c1[nH]c1ccccc21 43019998 MYXVLTVHLOCFDI-UHFFFAOYSA-N 238.334 3.869 30 1 BHEF CC(C)(C)/C(O)=C/C=N/OCc1ccccc1 100642438 DPRLKWGUZHIDIE-AYMWWVTDSA-N 233.311 3.677 30 1 BHEF C=C(C(=O)O)[C@@H]1CCC2=CCC[C@H](C)[C@@]2(C)C1 85725402 IOHUKXKGHJOVIW-JVLSTEMRSA-N 234.339 3.790 30 1 BHEF Cc1cccc([C@@H](C#N)c2ccc(Cl)cc2)n1 95872991 NWAHFQRWYRPRCS-ZDUSSCGKSA-N 242.709 3.699 30 1 BHEF C=C(C(=O)OC)[C@@H]1C=CC2=CCC[C@@H](C)[C@]2(C)C1 2356504270 JFJZCPCBEGYBHN-KFNAQCHYSA-N 246.350 3.654 30 1 BHEF CC1=C(CCC(C)C)C(=O)c2ccccc2C1=O 27656942 JCSUQQOAHQRPBF-UHFFFAOYSA-N 242.318 3.818 30 1 BHEF C=C(C)CCC/C(C)=C/COC(=O)CC 33954925 NACFFFPZCNALMT-FMIVXFBMSA-N 210.317 3.632 30 1 BHEF C=C(C)C[C@H]1CCC=C2C(=O)CC(C)(C)[C@@H]21 238757369 ZYVOQSKSDNGLKB-BXUZGUMPSA-N 218.340 3.904 30 1 BHEF CC1=C[C@H]2C(=C(C)CC[C@@H]2C(C)C)CC1=O 13381319 IZZYGYDERUCSAO-TZMCWYRMSA-N 218.340 3.904 30 1 BHEF biogenic N#Cc1ccc(-c2ccc(N)cc2F)c(Cl)c1 84653828 AUSFWCYPGUGPQD-UHFFFAOYSA-N 246.672 3.600 30 1 BHEF CC(C)=C1C[C@@H]2O[C@]2(C)CC[C@@H]2C[C@@]2(C)CC1=O 2356421081 YMFOAVNNIBPOJO-IPOQPSJVSA-N 248.366 3.650 30 1 BHEF C=C1CC[C@H]2C(C)(C)CCC[C@]2(C)[C@H]1CO 5762284 ZPTSRWNMMWXEHX-KCQAQPDRSA-N 222.372 3.778 30 1 BHEF C=C1CC[C@@H]2O[C@H]1[C@H]1[C@H](C(C)C)CC[C@]21C 15167003 BITBXAWCPCNKKN-VQJWOFKYSA-N 220.356 3.792 30 1 BHEF endogenous,in-man C/C(=N/c1ccc(Cl)cc1)C1=C(O)OCC1 102236548 OPIZSJZELTURHA-ZSOIEALJSA-N 237.686 3.622 30 1 BHEF C=C1CC[C@@H]2[C@@H](C)CC[C@@H](/C=C(\C)CO)[C@H]12 238774569 KTJOVZDBQRSACR-HYJMUZOOSA-N 220.356 3.554 30 1 BHEF CC1=CCC[C@H](C=O)[C@@H]2CC(C)(C)[C@H]2CC1 2356388857 VLWNRFXSKLVVEB-RDBSUJKOSA-N 220.356 3.984 30 1 BHEF CC(=O)CCC(C)=CCC[C@H]1[C@H](C=O)C1(C)C 2356685755 DFFNANWUVIXRPP-KBPBESRZSA-N 236.355 3.553 30 1 BHEF C=C(C)[C@H]1CC[C@]2(C)CC[C@@H](O)C(C)=C2C1 15206919 APWLDLGOYJHNIK-NWANDNLSSA-N 220.356 3.840 30 1 BHEF endogenous,in-man CC[C@@H](C)/C=C/C=C\C=C/C(O)=C\C(C)=O 100308087 MREIRTWZXYCJLD-JHNMMMAJSA-N 220.312 3.732 30 1 BHEF in-vitro C=C[C@@]1(C)CC[C@H](C(C)=O)C[C@@H]1C(=C)C 137318010 MQPOZMPCFISHSA-MJBXVCDLSA-N 206.329 3.760 30 1 BHEF C=N[C@@]1([C@@H]2CC[C@@]3(C)CCCC(=C)[C@@H]23)OC1(C)C 238743058 WSLOWFIUNUZNEL-CLWVCHIJSA-N 247.382 3.965 30 1 BHEF C=C(C)[C@@H](O)CC[C@@H](C)c1ccc(C)c(O)c1 13377466 CDFYSXHPCPFPAR-RISCZKNCSA-N 234.339 3.521 30 1 BHEF biogenic N#Cc1ccccc1Nc1ccccc1S 31829993 DANJNCZFHIQPFN-UHFFFAOYSA-N 226.304 3.591 30 1 BHEF CC1=C2C(=O)[C@H]3CC[C@@H](C)[C@@]2(CC1)C3(C)C 100779124 JAWSHISYWRRQQQ-UEKVPHQBSA-N 218.340 3.738 30 1 BHEF endogenous,in-man C=CCN1CCC[C@]2(c3ccccc3)CC[C@@H]1C2 100790097 HMWVGMFZKWHIJH-SJORKVTESA-N 241.378 3.759 30 1 BHEF C=C(C)C(=O)CC[C@H](C)c1ccc(C)cc1O 2356792533 JVEQAAHOYLCOQE-LBPRGKRZSA-N 232.323 3.730 30 1 BHEF CC(C)=CC(=O)C[C@@H](C)CCC(=O)c1ccoc1 14611753 TXLOBTVRMBXIAI-LBPRGKRZSA-N 248.322 3.804 30 1 BHEF biogenic C=C(C)c1cc2c(=O)oc3cccc(C)c3c2o1 14682660 VQUALAOMJNCAIH-UHFFFAOYSA-N 240.258 3.881 30 1 BHEF biogenic CC1=C2C(=O)c3c(C)coc3C[C@@]2(C)CCC1 15221652 NKPGPFRAHOCSPY-OAHLLOKOSA-N 230.307 3.834 30 1 BHEF biogenic,in-vitro C=C(C)[C@@H]1CCC(=C)[C@]2(O)CC[C@H](C)[C@@H]2C1 36405358 AAKQHTLAXTYKFW-PMOUVXMZSA-N 220.356 3.696 30 1 BHEF biogenic,in-vitro CCCCCC/C=C/C=C/C#CC#C/C=C\CO 139368702 MNRSGFGJPZSJIX-ZVHWMEOJSA-N 242.362 3.625 30 1 BHEF C=C(C)C=C[C@]12O[C@]1(C)CC(C)(C)[C@H]1C[C@@H]12 2356328829 JEWBTTPLZBTNTA-DDHJSBNISA-N 218.340 3.712 30 1 BHEF CC1=CC[C@@]23C[C@H]1[C@](C)(C=O)[C@H]2CC[C@@H]3C 2356472013 IIRSXUDXJJMDJP-QRTUWBSPSA-N 218.340 3.594 30 1 BHEF Cc1ccc2nc(/N=C/c3cccs3)[nH]c2c1 71296007 FPLNGWPCKUXXIU-RIYZIHGNSA-N 241.319 3.683 30 1 BHEF CC(C)=C1C=CC2=CC(=O)C[C@H](C)[C@]2(C)C1 2356599329 UVFKNVNRLTXQTO-NHYWBVRUSA-N 216.324 3.824 30 1 BHEF C=C1C(=O)O[C@@H]2C=C(C)CCCC(C)=CC[C@H]12 2356785909 YASQWKKSUDWLGB-ZIAGYGMSSA-N 232.323 3.551 30 1 BHEF C=C(CO)[C@H]1CC[C@]2(C)CCCC(=C)[C@@H]2C1 15206878 FKWGZOFNSIESOX-KKUMJFAQSA-N 220.356 3.698 30 1 BHEF C=C(C)[C@H]1CC[C@](C)(O)[C@@H]2CC[C@@H](C)[C@H]2C1 38351164 VYOZKWKETGHHDW-KHMAMNHCSA-N 222.372 3.776 30 1 BHEF biogenic,in-vitro C=C(C)[C@@H]1CC[C@@]2(C1)C(C)=C[C@H](O)C[C@H]2C 95635705 QRPWLSKPROEDAH-APIJFGDWSA-N 220.356 3.696 30 1 BHEF in-vitro C/C=C/C#CC#C[C@@H](O)/C=C/CCCCCCC 164913732 VYFQRHHQNNXVTJ-IHQVWJBYSA-N 244.378 3.847 30 1 BHEF C=C(CCC[C@H](C)CC)C[C@H](O)C[C@H](C)CO 257561627 VBYQXYSSKALZIL-SNPRPXQTSA-N 242.403 3.529 30 1 BHEF endogenous,in-man C=CC(C)(C)c1nc2cc(Cl)c(F)cc2[nH]1 587954370 RABYXDUULYJBEY-UHFFFAOYSA-N 238.693 3.819 30 1 BHEF CC1=C[C@@H]2[C@H](CCC(C)=CCC1)[C@@]2(C)C=O 2356449519 PLERVCQIUZNKMR-RRFJBIMHSA-N 218.340 3.904 30 1 BHEF C=CCN[C@]12CCCC[C@H]1CCc1ccccc12 13831969 WDUANPFUTATVQW-DOTOQJQBSA-N 241.378 3.794 30 1 BHEF C=C1CC[C@@H]2C[C@]3(OC2(C)C)C(C)=CC[C@H]13 15160843 MGSOIRWVRUQEDG-NFAWXSAZSA-N 218.340 3.857 30 1 BHEF C=CCCCCC/C=C/[C@H](O)C#CC#C/C=C\C 15270001 BVVCAUWTOOENBU-DRMIUQBLSA-N 242.362 3.623 30 1 BHEF endogenous,in-man C=C1/C=C/[C@H](C(=C)C)CCC(=C)[C@@H](O)CC1 238765631 ZUGVZVDNBZYDHU-QKNOVVFDSA-N 218.340 3.782 30 1 BHEF C=C1CCC=C(C)C(=O)c2occ(C)c2C(=O)C1 299806676 KELZYRMOEAISJM-UHFFFAOYSA-N 244.290 3.640 30 1 BHEF C=C1CCC[C@]2(C)CC[C@@H](C(C)C)[C@H](O)[C@@H]12 33986117 MSJJKJCIFIGTJY-LJISPDSOSA-N 222.372 3.776 30 1 BHEF biogenic,in-vitro C=CCCCCC/C=C\[C@H](O)C#CC#C/C=C/C 40379385 BVVCAUWTOOENBU-AGTQTVRUSA-N 242.362 3.623 30 1 BHEF CC(C)=C1C[C@@H]2O[C@]2(C)CCC[C@@H](C)CC1=O 2356529447 HNWLYWCHTWWEOA-BYCMXARLSA-N 236.355 3.650 30 1 BHEF C=C(CCC=C(C)C)[C@@H]1C[C@@H](CO)C1(C)C 13414526 FYGXEWITUKAOJO-KBPBESRZSA-N 222.372 3.944 30 1 BHEF biogenic C=C(C)[C@H]1CC[C@]2(C)CC=C(CO)CC[C@@H]12 14956129 AUASPLXQOHHJLG-ILXRZTDVSA-N 220.356 3.698 30 1 BHEF biogenic,in-vitro CC(C)=CC(=O)C[C@]1(C)OC2(C)CCC1CC2 15273895 DTLTZCCHHHRSOU-ZALBZXLWSA-N 236.355 3.650 30 1 BHEF biogenic Cn1cc(/C=N/Cc2ccccc2)c2ccccc21 84709613 VBBKFBHSRGSRHY-LDADJPATSA-N 248.329 3.797 30 1 BHEF C=C1CCC[C@]2(C)CC[C@@](O)(C(C)C)C[C@H]12 238736466 CAROBQKXUGHYBD-KFWWJZLASA-N 222.372 3.920 30 1 BHEF CC(=Nc1ccc(Cl)c(Cl)c1)N(C)C 299807825 UXZSKGRFAGMCIR-UHFFFAOYSA-N 231.126 3.605 30 1 BHEF C=C1C(=O)C[C@@H]2[C@@H]1CC[C@]1(C)CCCC(=C)[C@@H]21 2356475096 OINFTKHXNVCYLH-VDERGJSUSA-N 230.351 3.904 30 1 BHEF C[C@@H]1CC[C@H]2C(C)(C)[C@H]3C[C@]21C[C@@H]1O[C@@]13C 1588272 HZRFVTRTTXBHSE-RIMRTXSHSA-N 220.356 3.626 30 1 BHEF C=C(C(=O)c1cccs1)c1ccccc1 29252678 SYULNVQABCAECY-UHFFFAOYSA-N 214.289 3.644 30 1 BHEF CCO/N=C/CCOc1ccc(CC(C)C)cc1 103183630 ZGVKFTJPNGNDNQ-MHWRWJLKSA-N 249.354 3.676 30 1 BHEF C=C1C(=O)C[C@]2(C)C[C@H]1[C@]1(C)CCC[C@]21C 231253947 AQEVLQOUEXYZOS-UQOMUDLDSA-N 218.340 3.738 30 1 BHEF CCCCCCC=CC(=O)CCSC(C)=O 2356511975 SKXRMIIWKQXYIT-UHFFFAOYSA-N 242.384 3.752 30 1 BHEF C=C[C@](C)(O)CC[C@@H]1C(=C)[C@H](C)CC=C1C 14954178 UAQRXAWGZKFMDP-UGFHNGPFSA-N 220.356 3.862 30 1 BHEF biogenic C=C[C@]1(C)CC[C@H](O)[C@](C)(CCC=C(C)C)O1 15160369 QHQOBRMEKGKJNF-ZNMIVQPWSA-N 238.371 3.608 30 1 BHEF biogenic CCCCCCC/C=C/C(=O)SC 56871190 DBQBCCHJYFLTRK-MDZDMXLPSA-N 200.347 3.793 30 1 BHEF C=C(C)Cc1c(C)nc2cccc3c2c1CC3 587212459 ALOCZUOQTWLWKH-UHFFFAOYSA-N 223.319 3.760 30 1 BHEF O=C1C=CC=C/C1=C\Nc1cccc2ccccc12 100613187 HHTVOXWPZSGVIT-WYMLVPIESA-N 247.297 3.831 30 3 BHEF CC(=O)CC/C(=C\C1=C(C)CCC1=O)C(C)C 38589995 OHMUFLMVZOSQEE-UKTHLTGXSA-N 234.339 3.617 30 1 BHEF C=C(C)[C@H]1CCC2=CC(=O)C[C@H](C)[C@]2(C)C1 2105958 WTOYNNBCKUYIKC-HUBLWGQQSA-N 218.340 3.904 30 1 BHEF endogenous,in-vitro C=C1C(=O)O[C@@H]2C/C(C)=C/CC/C(C)=C/C[C@@H]12 33831931 BBMLTTOFEBDQIR-IKBILXSJSA-N 232.323 3.551 30 1 BHEF C=C(C)[C@@H]1CC[C@H](C)[C@@]23CC[C@@H](C)[C@]2(C1)O3 100778976 RGRYQUWGSJPMMK-QRTUWBSPSA-N 220.356 3.936 30 1 BHEF endogenous,in-man C=C1CC[C@H](C(C)C)[C@@H]2C(=CC)C(=O)C[C@@H]12 2356517647 PXEXQPYJEJLXLA-IPYPFGDCSA-N 218.340 3.760 30 1 BHEF C=C1C=C[C@]2(C[C@@H]1O)[C@H](C)CC[C@@H]2C(C)C 13307484 QLUSLBMNADHHII-KBXIAJHMSA-N 220.356 3.552 30 1 BHEF biogenic C=CCc1ccc(OCC=C(C)C)cc1 14680287 UCSGFTQHJDOIND-UHFFFAOYSA-N 202.297 3.760 30 1 BHEF endogenous,in-man C=C(C)[C@H]1CCC[C@@]2(C)CCC[C@@](C)(NC=O)[C@H]12 140475832 JBJCEWWBNURZRA-LVQVYYBASA-N 249.398 3.674 30 1 BHEF C=C(C)[C@@H]1C=CC2=CC(=O)C[C@@H](C)[C@]2(C)C1 204355738 PHRADXUJOZKVDN-JMSVASOKSA-N 216.324 3.680 30 1 BHEF C=C(C)C1=CC(=O)[C@H](C)[C@H]2CCC(C)=C[C@H]12 2356504238 IOWYPXJMCFZBEY-BZPMIXESSA-N 216.324 3.680 30 1 BHEF C=C1CC[C@@H]2[C@H](C(=C)C)CC[C@@]2(C)C[C@H]1O 13432056 KNGFBLYDZOXQMM-YJNKXOJESA-N 220.356 3.696 30 1 BHEF biogenic CC1=CC=C[C@@]2(C)CC(=O)C(=C(C)C)C[C@@H]12 15208084 DVGWOFUZNUYQPS-ZFWWWQNUSA-N 216.324 3.824 30 1 BHEF endogenous,in-man CCC/C=C\C(=O)c1coc2cc(C#N)ccc12 587278117 DIHUZDRNPCQHRT-PLNGDYQASA-N 239.274 3.843 30 1 BHEF C=C1CC[C@@H](C)C(=C)[C@]12CC=C(C)C(=O)C2 13299386 HKEVEORRDSCJDT-BMIGLBTASA-N 216.324 3.824 30 1 BHEF biogenic CC(=O)CC[C@H]1CCC(=C(C)C)C(=O)C=C1C 14884882 XXFPSLVWNRANRW-ZDUSSCGKSA-N 234.339 3.617 30 1 BHEF biogenic O=C(C=Cc1ccco1)c1cc(Cl)ccc1O 1857623251 WUUQATKGYNLGLM-UHFFFAOYSA-N 248.665 3.535 30 1 BHEF C=C(CO)[C@@H]1CC[C@H](C)[C@@H]2CCC(C)=C[C@H]21 14918124 CZSSHKCZSDDOAH-CYUUQNCZSA-N 220.356 3.554 30 1 BHEF biogenic C=C(C)[C@]12CC[C@@]3(C1)[C@H](C)CC=C[C@]3(C)O2 15195232 RJDKCAMBNKUPIB-BARDWOONSA-N 218.340 3.857 30 1 BHEF C=C1C[C@](C)(C=O)CC[C@@H]2[C@@H]1CC2(C)C 13377173 KHGAHZYLXXABTK-YRGRVCCFSA-N 206.329 3.594 30 1 BHEF biogenic CCCCCCC#CCCCCC#CCC(=O)O 102182223 FMOJTNMSVADPTA-UHFFFAOYSA-N 248.366 3.999 30 1 BHEF CCCCCCCCC#CC(=O)C(F)(F)F 103188409 KVRIETRXMCEVCU-UHFFFAOYSA-N 234.261 3.872 30 1 BHEF Cc1c([C@@H](C)S)nc2cccc3c2c1CC3 587216798 MTPNJIJGSQRXLM-SECBINFHSA-N 229.348 3.633 30 1 BHEF C=C[C@@]1(C)C=C2OC(=O)C(C)=C2C[C@H]1C(=C)C 2356794784 LKYACQYLIXCXCR-WFASDCNBSA-N 230.307 3.532 30 1 BHEF C=C(C(=O)O)[C@@H]1CC[C@@]2(C)C=CC=C(C)[C@@H]2C1 15207974 WUAXEEZNSBQKSA-VNHYZAJKSA-N 232.323 3.566 30 1 BHEF endogenous,in-man C=C1CCC=C(C)CC[C@@H]2[C@H]1OC(=O)C2(C)C 2356511436 BNBYFIXJHNFSPY-OLZOCXBDSA-N 234.339 3.631 30 1 BHEF C=C1C[C@H](O)[C@@H](C(C)C)[C@@H]2C=C(C)CC[C@@H]12 238749302 UHPAOJOYWJZLCG-XGUBFFRZSA-N 220.356 3.552 30 1 BHEF C=C(C(=O)OC)[C@@H]1CC[C@@H](C)[C@H]2CCC(C)=C2C1 2356341498 QOMUQZTZDWFQPT-LERXQTSPSA-N 248.366 3.878 30 1 BHEF C=C1CC[C@@H](C(C)(C)O)C[C@@H]2C(C)=CC[C@@H]12 39150032 KOMASUWOXAIAJL-HZSPNIEDSA-N 220.356 3.696 30 1 BHEF C=C1CC[C@@H](C(C)C)[C@@H](O)[C@@H]2[C@H](C)CC[C@@H]12 238749782 QVZYHISQRYCOFW-GZBLMMOJSA-N 222.372 3.632 30 1 BHEF C=CC1=C2C=C(C(=C)C)CC[C@]2(C)C[C@H](O)C1 2356704618 ATDCMONBZOSPNV-GDBMZVCRSA-N 230.351 3.926 30 1 BHEF C/C1=C/CC[C@@]2(CO2)[C@H]2CC(C)(C)[C@@H]2CC1 13383726 AURKDPLYMRHYAY-UUIQKQLESA-N 220.356 3.938 30 1 BHEF endogenous,in-man C=C1CC[C@@H]2C(C)(C)CCC[C@@]2(C)[C@@H]1CO 34519355 ZPTSRWNMMWXEHX-NFAWXSAZSA-N 222.372 3.778 30 1 BHEF C=C[C@]1(C)CC[C@@H](O)[C@](C)(CCC=C(C)C)O1 85691878 QHQOBRMEKGKJNF-KFWWJZLASA-N 238.371 3.608 30 1 BHEF C=C(C)C[C@H](O)C[C@@H](C)c1ccc(C)cc1O 2356521867 OVDFVUUIIKUOSJ-OLZOCXBDSA-N 234.339 3.521 30 1 BHEF C=C(C)[C@@H]1CC[C@@]2(C)CCC=C(C)[C@@]2(O)C1 15206806 PWKUFWSNBDVOCV-KFWWJZLASA-N 220.356 3.840 30 1 BHEF biogenic,in-vitro C=C1CC[C@H](C(C)C)[C@H]2C=C(C)[C@H](O)C[C@H]12 28540935 JZVCCTGSDKAMAW-KBUPBQIOSA-N 220.356 3.552 30 1 BHEF CCCC#CCSc1ccccc1OC(C)=O 13782090 MMWWBFVDWFUERO-UHFFFAOYSA-N 248.347 3.508 30 1 BHEF in-vivo C=C1CCC[C@@H]2CC[C@H](C(C)(C)O)C[C@]12C 15201075 RSXHKEPXFZWLQK-VNHYZAJKSA-N 222.372 3.920 30 1 BHEF biogenic C=C1CCC=C(C)CC[C@H]2[C@@H]1OC(=O)C2(C)C 2356511439 BNBYFIXJHNFSPY-QWHCGFSZSA-N 234.339 3.631 30 1 BHEF C=C1CC[C@H](C(C)C)[C@]12CC=C(CO)CC2 13307458 KRFRPUONKQFTDH-CABCVRRESA-N 220.356 3.698 30 1 BHEF biogenic C=C(C)[C@H]1CC[C@@H]2C(=O)CC[C@@H](C)[C@]2(C)C1 100826310 YHPOLTFUARNADB-COMQUAJESA-N 220.356 3.984 30 1 BHEF endogenous,in-man CC(=C\c1ccc(F)cc1)/C(=N\O)C(C)C 140855978 KHBHURZBJBAUPN-MBBMFPOLSA-N 221.275 3.715 30 1 BHEF C[C@@H]1CC[C@@H]2C[C@]3(C)O[C@H]3CC(C)(C)C=C12 2356847950 PAZDNVMMYDTDQZ-ZSEWYUTFSA-N 220.356 3.936 30 1 BHEF C=CCC(C)(C)c1nc2cccc(F)c2[nH]1 587954114 CZMMFQVVPFQVHS-UHFFFAOYSA-N 218.275 3.556 30 1 BHEF C[C@@H]1CCCC2=CC(=O)[C@H]3[C@H](C3(C)C)[C@@]21C 95913976 UGVIZCBJCSXBCJ-MSELDCQNSA-N 218.340 3.594 30 1 BHEF biogenic,in-vitro C=C1C[C@@H](O)[C@@H](C(C)C)[C@@H]2C=C(C)CC[C@@H]12 238769671 UHPAOJOYWJZLCG-YJNKXOJESA-N 220.356 3.552 30 1 BHEF C=C1C[C@@H]2C(=C)Cc3occ(C)c3C[C@H]2C1 2356307238 PXXJFFAUJYCTFW-CHWSQXEVSA-N 214.308 3.825 30 1 BHEF C=C1CCC[C@]2(C)CCC[C@@H](C(C)(C)O)[C@H]12 2356402679 NAHDKZAHVIXVBA-VNHYZAJKSA-N 222.372 3.920 30 1 BHEF C=C1CCC=C(COC)C(=O)C[C@H]2[C@@H]1CC2(C)C 2356419125 HTWOQGPDBJPHIA-KGLIPLIRSA-N 248.366 3.531 30 1 BHEF C=C1CCC[C@]2(C)CC[C@H](C(C)C)[C@@H]2C1=O 14559430 XWNLLHLOYWVRDK-UMVBOHGHSA-N 220.356 3.984 30 1 BHEF biogenic C=C1CCC[C@@]2(C)CC[C@@H](C(C)(C)O)C[C@@H]12 15209561 BOPIMTNSYWYZOC-IPYPFGDCSA-N 222.372 3.920 30 1 BHEF biogenic,in-vitro C=C[C@@]1(C)CC[C@H](C(C)(C)O)C[C@@H]1C(=C)C 34623614 GFJIQNADMLPFOW-GUTXKFCHSA-N 222.372 3.942 30 1 BHEF CC1=CC[C@H]2C(C)(C)CCC[C@]2(C)[C@H]1C=O 138104511 TUWKAEMGKORGLZ-KCQAQPDRSA-N 220.356 3.984 30 1 BHEF O=N[C@H](c1ccccc1)[C@H]1O[C@H]1c1ccccc1 221252107 OMGAPFGTLVUQBM-QLFBSQMISA-N 239.274 3.634 30 1 BHEF CCCCCCCOC(=O)CCC(C)C 141619303 PYWFXRLLPBEWEM-UHFFFAOYSA-N 214.349 3.936 30 1 BHEF C=C1C(=O)O[C@@H](c2ccccc2)[C@@H]1CCCC 196379154 BXTPVEMKSUYEKK-KGLIPLIRSA-N 230.307 3.647 30 1 BHEF C=C(C)[C@@H]1CC[C@@](C)(O)[C@@H]2CC=C(C)[C@@H]2C1 238732680 QKHYXKLHIXEAGP-LXTVHRRPSA-N 220.356 3.696 30 1 BHEF CC(=O)C=C[C@@H]1C(C)=CC[C@@H](C)C1(C)C 2356446441 JZQOJFLIJNRDHK-DGCLKSJQSA-N 206.329 3.760 30 1 BHEF C=CC(C)=C[C@@]1(CC)SC(O)=C(CC)C1=O 2356594864 KDRQPAVHKKVXSL-CYBMUJFWSA-N 238.352 3.763 30 1 BHEF CC(C)=CC(=O)C[C@@]1(C)[C@@H]2C[C@H]3[C@@H](C2)[C@]31C 238744316 IFTSMWIUBFZANQ-WCDYYPSBSA-N 218.340 3.594 30 1 BHEF C=C1CCC=C(C)CC[C@@H]2[C@@H]1OC(=O)C2(C)C 2356511433 BNBYFIXJHNFSPY-CHWSQXEVSA-N 234.339 3.631 30 1 BHEF C=CCCCCC[C@@H](O)/C=C/C#CC#C/C=C\C 15269930 DDWUABWPXPSLAB-IJCLIOIBSA-N 242.362 3.623 30 1 BHEF CCCCCCCCOc1cccc(C(N)=O)c1 44387774 AVXRLGFVTNUKEW-UHFFFAOYSA-N 249.354 3.525 30 1 BHEF C=C1CCC[C@]2(C)CC[C@@H]([C@H](C)C(=O)O)C[C@H]12 238730708 QXRKIZKJLNNMNC-KYEXWDHISA-N 236.355 3.870 30 1 BHEF C=C(C)[C@@H]1CC[C@]2(C)O[C@]23CC[C@@H](C)[C@@H]3C1 15160989 OQZCYVPJJHEMSP-MRLBHPIUSA-N 220.356 3.936 30 1 BHEF biogenic C=CCN1CCC[C@H](/C=C/c2ccccc2)C1 29323425 LFYDIFWLHBZMPF-SIFUEBAJSA-N 227.351 3.598 30 1 BHEF [N-]=[N+]=Nc1ccc(NC(=O)c2ccccc2)cc1 95807877 KBEQMPDUMDOHRU-UHFFFAOYSA-N 238.250 3.881 30 1 BHEF C=C1[C@@]2(C)CCCC(C)(C)[C@@H]2CC[C@@]1(C)O 15148116 SAJLLZGTTHMQBE-NWANDNLSSA-N 222.372 3.920 30 1 BHEF biogenic C=C(C)/C=C\c1c(O)nc2ccccc2c1OC 263637105 KOFVUVJGUULEKJ-HJWRWDBZSA-N 241.290 3.538 30 1 BHEF C=C1CC[C@@H]2[C@H](C)CC[C@H](C=C(C)CO)[C@H]12 2356395090 KTJOVZDBQRSACR-NGFQHRJXSA-N 220.356 3.554 30 1 BHEF C=C1CCC[C@]2(C)CC[C@H]([C@@H](NC=O)C(C)C)[C@H]12 14858428 SEAGBPMCOQAENU-YHUYYLMFSA-N 249.398 3.530 30 1 BHEF biogenic CCCCCCSCC/C(C)=N\OC 31871549 CXMWHEIBSHXAQB-QXMHVHEDSA-N 217.378 3.712 30 1 BHEF C=C(C)[C@@H]1CC=C2CC(=O)C[C@@H](C)[C@@]2(C)C1 2356517156 ZCIAZFSKBUFPBI-LALPHHSUSA-N 218.340 3.904 30 1 BHEF C=C[C@@](C)(O)CCCC(C)=CC(=O)C=C(C)C 2356664281 OTRVEZNVCKAIQL-OAHLLOKOSA-N 236.355 3.575 30 1 BHEF C=C1CC[C@H](C(C)C)[C@@H]2C[C@H](C)[C@@H](O)C[C@H]12 2356697054 HMNKVQOCUYFAGU-QRTUWBSPSA-N 222.372 3.632 30 1 BHEF C=C1[C@H]2CC=C(C)[C@H]2C[C@@H]2C[C@H]1OC2(C)C 15160846 UCHRRMWFDLTRHF-AAVRWANBSA-N 218.340 3.712 30 1 BHEF biogenic CCCCCCC[C@]1(C)SC(=O)[C@H](C)C1=O 53685029 JESYAZYDCUETJK-MFKMUULPSA-N 242.384 3.584 30 1 BHEF C=CCCCC/C=C/C=C/C#CC#CC#CC 85831958 LEQCZKIMKYGCIQ-TZSXFDEBSA-N 222.331 3.875 30 1 BHEF endogenous,in-man CC1=CC(=O)c2c1cc(C(C)C)c(C=O)c2C 238787392 JMBXORIGOBWDJL-UHFFFAOYSA-N 228.291 3.531 30 1 BHEF C/C=C(\C)C(=O)c1coc2ccccc12 587280687 RTCZJSDTLBBPQD-YCRREMRBSA-N 200.237 3.582 30 1 BHEF C=C(C)[C@@H]1CC[C@@](C)(O)[C@H]2CC[C@H](C)[C@@H]2C1 40393034 VYOZKWKETGHHDW-AIEDFZFUSA-N 222.372 3.776 30 1 BHEF CC1=CC(=O)[C@@]2(C)CCCC(C)(C)[C@]23C[C@H]13 85998793 DUBQOEOGAJJVNF-KCPJHIHWSA-N 218.340 3.738 30 1 BHEF biogenic,in-vitro CC1=C(O)S[C@@](C)([C@H](C)c2ccccc2)C1=O 101036082 GMPLTSVOQHFAEV-YGRLFVJLSA-N 248.347 3.654 30 1 BHEF C/C=C/C=C\C#C/C=C\C=C/CCCC=O 221227375 YRJCRFXFMYBQRP-GEXZYJCXSA-N 214.308 3.604 30 1 BHEF C=C1CC[C@H]2O[C@@H]1[C@H]1[C@H](C(C)C)CC[C@]12C 231152753 BITBXAWCPCNKKN-QRTUWBSPSA-N 220.356 3.792 30 1 BHEF O=C(/C=C/C(F)(F)F)c1coc2ccccc12 587281132 XMSFOYPSSFMVTL-AATRIKPKSA-N 240.180 3.734 30 1 BHEF C[C@@H]1CCC=C2CC[C@@H]3[C@@H]([C@]3(C)C=O)[C@]21C 38763282 IQBWPZYQOFAABM-LFHLZQBKSA-N 218.340 3.594 30 1 BHEF C=C[C@]1(C)CC[C@@H]([C@@H](C)C(=O)C=CC(C)C)O1 2356541774 NMSXSGMHOUHHGP-AEGPPILISA-N 236.355 3.528 30 1 BHEF C=C1CC[C@H](C(C)C)C[C@@H]2C(C)=CC[C@]12O 2356717838 FUIREXPFHXOXGQ-ZNMIVQPWSA-N 220.356 3.696 30 1 BHEF N#Cc1c2ccccc2cn1-c1ccc(F)cc1 1633620 AHBXKDRAAPZAMR-UHFFFAOYSA-N 236.249 3.641 30 1 BHEF C=C1C(=O)C[C@@H]2C[C@]3(C)CCCC(=C)[C@H]3C[C@H]12 2356604284 WPNCTPSHEONZCO-KQTLUZQSSA-N 230.351 3.904 30 1 BHEF C=C1CCC[C@@]2(C)CC=C([C@@H](C)CO)C[C@H]12 33950733 RQWRGJGCTMAFBS-CFVMTHIKSA-N 220.356 3.698 30 1 BHEF CO[C@]1(C)C[C@@H]2C(=CC1=O)C(C)=CC[C@H]2C(C)C 238742301 WNVGXIGDSODCRK-DUVNUKRYSA-N 248.366 3.529 30 1 BHEF CC(C)=CC(=O)C[C@]1(C)C2C[C@H]3[C@@H](C2)C31C 14690786 IFTSMWIUBFZANQ-JQFGNSRWSA-N 218.340 3.594 30 1 BHEF biogenic C=C1CCC[C@]2(C)CC[C@H](C(C)C)[C@@H](O)[C@@H]12 15209485 MSJJKJCIFIGTJY-KBUPBQIOSA-N 222.372 3.776 30 1 BHEF endogenous,in-man C=C(C)[C@@H]1CC[C@]2(C)C(=CC(=O)C[C@@H]2C)C1 98081922 QGBYEZJHICXAMA-ZOWXZIJZSA-N 218.340 3.904 30 1 BHEF C=C1[C@H]2CC[C@H](C2)[C@]1(C)CC/C=C(\C)C(=O)O 196826233 PMCPDNGTLRPFQQ-KQEJHUTCSA-N 234.339 3.790 30 1 BHEF C=C(C)[C@H]1C=C[C@@](C)(O)[C@H]2CC[C@@H](C)C[C@@H]21 238733132 NQKWUNQUPNPCCJ-ARILJUKYSA-N 220.356 3.552 30 1 BHEF C=C[C@@]1(C)CC[C@@H]([C@@H](C)C(=O)c2cc(C)co2)O1 238740749 DJFSWRNRUGTHCI-XUJVJEKNSA-N 248.322 3.531 30 1 BHEF C=C1C=C[C@H]([C@@H](C)C[C@@H](O)C=C(C)C)CC1 13377582 KRPZTCZJBVPGEM-KKUMJFAQSA-N 220.356 3.862 30 1 BHEF endogenous,in-man C=C1CC[C@H](C(C)C)[C@H]2C=C(C(=O)O)CC[C@@H]12 13381125 DTPZSZZVUKXNSJ-HZSPNIEDSA-N 234.339 3.646 30 1 BHEF biogenic C=C1CC2(CCCCCCCCC2)OC1=O 25986310 CUTWHOILGASKQR-UHFFFAOYSA-N 222.328 3.753 30 1 BHEF C=C(C)[C@@H]1CC=C2[C@H](O)CC[C@@H](C)[C@@]2(C)C1 59065539 NJWPLFBOSCSZFA-QHSBEEBCSA-N 220.356 3.696 30 1 BHEF in-vitro CC1=CC[C@H](C2=CC[C@@]3(CC2)CO3)C1(C)C 64624735 SRNBAOJKZYTEEY-UKRRQHHQSA-N 218.340 3.858 30 1 BHEF in-vitro CC(=O)C=C[C@@H]1C(C)=CC[C@H](C)C1(C)C 2356446442 JZQOJFLIJNRDHK-WCQYABFASA-N 206.329 3.760 30 1 BHEF C=C1CC[C@@H](C)C(C)(C)[C@H]1C=CC(C)=O 2356534568 MVPDTCQYNRKWJA-YPMHNXCESA-N 206.329 3.760 30 1 BHEF C[C@]1(/C=C2/C=CCCCC2)SC(=O)C=C1O 102231778 OYPGKGVZFWZXLZ-ASCRHOAZSA-N 236.336 3.517 30 1 BHEF C=C[C@](C)(O)CCC/C(C)=C/C(=O)C=C(C)C 103586998 OTRVEZNVCKAIQL-FQNOHDAGSA-N 236.355 3.575 30 1 BHEF biogenic,in-vitro C=CCCCCC/C=C\C#CC#CC(=C)O 238761237 JBTDJZUDBLPALT-KTKRTIGZSA-N 214.308 3.758 30 1 BHEF C#CC=CC[C@@H]1CCC[C@@H]2N[C@H](CC=C)CC[C@H]12 2356538626 LNNCEICYEONULV-VQHPVUNQSA-N 243.394 3.679 30 1 BHEF C[C@H]1C(=O)C=C2[C@H]1CC(C)(C)C[C@@H]1C[C@]21C 13308869 NJTKXUKZKQTHNI-OZWUEAAUSA-N 218.340 3.594 30 1 BHEF CC1=CC(=O)[C@H]2CC[C@H](C(C)C)[C@@]2(C)CC1 84707006 YJMPMKVSGMSRFT-UMVBOHGHSA-N 220.356 3.984 30 1 BHEF C=CCC(C)(C)c1nc2cc(OC)c(C)cc2[nH]1 587954068 AQQAWRCOEICWSU-UHFFFAOYSA-N 244.338 3.734 30 1 BHEF C=C(C)[C@@H]1CC/C(C)=C/CCC2=C[C@@H]1OC2=O 33807704 FGWWKPRDQNGBKN-ZKZSOYRCSA-N 232.323 3.551 30 1 BHEF biogenic,in-vitro CC[C@@H](C)c1[nH]c2cccc(F)c2c1C#N 587634780 FBUKFMZKJLOXPV-MRVPVSSYSA-N 216.259 3.692 30 1 BHEF CC(=CNc1ccccc1)C(=O)c1ccccc1 2356304381 DDPZTXHMCRWQCK-UHFFFAOYSA-N 237.302 3.885 30 1 BHEF C=C(C)[C@@H]1CC[C@]2(C=C(C)[C@@H](O)C[C@@H]2C)C1 2356465208 KEJDOISIOSPWEF-XGUBFFRZSA-N 220.356 3.696 30 1 BHEF CC(C)(C)O[C@H]1[C@H](C#Cc2ccccc2)C1(C)C 1089479 UNPREQGPSDDNAV-GJZGRUSLSA-N 242.362 3.878 30 1 BHEF C=C1C=C[C@H]([C@@]2(C)CCCC2(C)C)C[C@@H]1O 13412281 SDHORTCDXPFLAK-KCQAQPDRSA-N 220.356 3.696 30 1 BHEF biogenic COC(=O)CCCCCCCCCCCC=O 14620337 QQPFEUUPMQPRCT-UHFFFAOYSA-N 242.359 3.649 30 1 BHEF biogenic C=C[C@]1(C)C[C@H](O)[C@@H](C(=C)C)C[C@@H]1C(C)C 15150032 SNRRJYWOCWXKHG-APIJFGDWSA-N 222.372 3.798 30 1 BHEF biogenic C=C1C[C@@]23CC[C@@H]1[C@@]2(C)CCC[C@@]3(C)CO 34827673 NHYQMLCUEBFCEJ-BYNSBNAKSA-N 220.356 3.532 30 1 BHEF C=CC(C)(C)C(=O)[C@H](C)[C@H]1CC[C@@](C)(C=C)O1 13373093 GJHJZCGMDGIUKC-LALPHHSUSA-N 236.355 3.528 30 1 BHEF biogenic C=C(C)[C@@H]1C=C[C@@](C)(O)[C@@H]2CC[C@H](C)C[C@@H]12 13381293 NQKWUNQUPNPCCJ-BTFPBAQTSA-N 220.356 3.552 30 1 BHEF C=C(C)c1cc2cc([C@H](C)O)c(OC)cc2o1 15217079 UOMSNMCDUWFHEF-VIFPVBQESA-N 232.279 3.528 30 1 BHEF biogenic C=C1C[C@H]2C=C[C@@H](C[C@@H]3[C@@H]1CC3(C)C)[C@@]1(C)O[C@@H]21 85547363 VGYMECICNDNREG-XHOLNKINSA-N 244.378 3.958 30 1 BHEF biogenic,in-vitro C=CCc1cc(OCC)ccc1OCCCC 103287446 OVSGMYQYBSKUTJ-UHFFFAOYSA-N 234.339 3.993 30 1 BHEF CC(C)[C@@H]1CC[C@](C)(C#N)[C@@H]2CC[C@@](C)(O)C=C12 2356387713 DZOJEAIEMYKNFO-LCGIIJARSA-N 247.382 3.670 30 1 BHEF C=C1[C@H]2CC[C@@H]([C@H]2OC)[C@@]1(C)C1CCCC1 2356546525 MRWBLGJMKSZDFI-CBBWQLFWSA-N 220.356 3.794 30 1 BHEF C=C(C)[C@]1(O)CC[C@H](C)[C@H]2CCC(C)=C[C@@H]21 2356615385 CUVJTROTJRHROZ-LJISPDSOSA-N 220.356 3.696 30 1 BHEF C=C(C)[C@@H]1CC=C2[C@H](O)CC[C@H](C)[C@]2(C)C1 2356725893 NJWPLFBOSCSZFA-MXYBEHONSA-N 220.356 3.696 30 1 BHEF C=C[C@@]1(C)CC[C@@H](CO)C(C)(C)[C@H]1C(=C)C 238770287 OUHIEGFKRWELJI-GUTXKFCHSA-N 222.372 3.800 30 1 BHEF C=C[C@]1(CO)CC[C@H](C(=C)C)C[C@@H]1C(=C)C 2356747838 BEWDWUSHVLODOB-RRFJBIMHSA-N 220.356 3.720 30 1 BHEF CCCC/C=C/C=C/C=C\C#CC#CCCCO 5819752 OGSBOMXZSBQDPF-WPOADVJFSA-N 242.362 3.625 30 1 BHEF CC1=CC(=O)C=C2C=C[C@@H](C(C)C)C[C@]12C 33832926 YKYFDKNMHUSVIH-IUODEOHRSA-N 216.324 3.680 30 1 BHEF CC[C@@H](C)/C=C\C=C\C=C/C(O)=C\C(C)=O 100308092 MREIRTWZXYCJLD-WCWVFIBPSA-N 220.312 3.732 30 1 BHEF in-vitro C=CCCCCC/C=C\CC#CC#C/C=C/CO 206584503 YIVFXIIHTUAIBW-ZHEVCFECSA-N 242.362 3.625 30 1 BHEF C=C1CCC(=O)[C@@H](C)CC[C@@H]2[C@H]1CC2(C)C 3978616 GWBJPNAWYMBRLQ-RWMBFGLXSA-N 220.356 3.984 30 1 BHEF in-vitro C=C[C@]1(C)CC[C@@H](C(C)=O)C[C@H]1C(=C)C 14614803 MQPOZMPCFISHSA-HZSPNIEDSA-N 206.329 3.760 30 1 BHEF biogenic C=N[C@]1([C@@H]2CC[C@@]3(C)CCCC(=C)[C@@H]23)OC1(C)C 2356632990 WSLOWFIUNUZNEL-OCVGTWLNSA-N 247.382 3.965 30 1 BHEF CCCCCCCCCCSCCC(N)=O 139415643 CZTMDSBUHWDUHW-UHFFFAOYSA-N 245.432 3.736 30 1 BHEF C[C@@H]1CC=CC[C@H]1c1nc2cccc(C#N)c2[nH]1 587968242 XFZPYWQVLUHINN-ZYHUDNBSSA-N 237.306 3.504 30 1 BHEF CC1=C2[C@@H](CC1=O)[C@H](C)CC[C@H]1[C@@H]2C1(C)C 14856558 ZEEUIOBUKGZKPS-ORMVGFHCSA-N 218.340 3.594 30 1 BHEF CCCC#CCCCCCCCCC(=O)O 33822233 WNKCFMWRUNCITP-UHFFFAOYSA-N 224.344 3.995 30 1 BHEF CC[P+]1(c2ccccc2)CCCCC1 73257546 SWLWBMIASOSTKX-UHFFFAOYSA-N 207.277 3.533 30 1 BHEF C=CCCCC/C=C/CC#CC#C[C@@H](O)CC=C 523041990 YQBYRJITKVRBCW-FVNWOWOISA-N 242.362 3.623 30 1 BHEF biogenic N#Cc1ccc2cc(C#N)c3sccc3c2c1 1857616744 AEMQIAYZNAVXMA-UHFFFAOYSA-N 234.283 3.798 30 1 BHEF C=C(C)[C@H]1CC[C@H](C)C12CCC(CO)CC2 2356693926 RDTHDRJVLMGJAD-FGZQJIAISA-N 222.372 3.778 30 1 BHEF C=C(C)[C@@H]1CC[C@]2(C)CC=C(C(=O)O)CC[C@@H]12 14956154 XGIXSMYBMGPSNO-YDHLFZDLSA-N 234.339 3.790 30 1 BHEF biogenic COc1cc(C#N)ccc1Oc1ccc(C)cc1 40874050 YKRUICLEGSVULK-UHFFFAOYSA-N 239.274 3.668 30 1 BHEF in-vivo C[C@]12C=CC3=CC(=O)c4ccccc4[C@@]3(CC1)C2 26745337 YKDDMHRLYMKNNB-IRXDYDNUSA-N 236.314 3.807 30 1 BHEF C=CCc1c(OCC)cccc1OCCC 98085361 RGUNQBKOKMYJOC-UHFFFAOYSA-N 220.312 3.603 30 1 BHEF C=C[C@@](C)(O)CCC/C(C)=C/C(=O)C=C(C)C 111966807 OTRVEZNVCKAIQL-HFBDAHEESA-N 236.355 3.575 30 1 BHEF C=C(C(=O)OC)[C@@H]1C=CC2=CCC[C@H](C)[C@@]2(C)C1 238743992 JFJZCPCBEGYBHN-NORZTCDRSA-N 246.350 3.654 30 1 BHEF C=C1CC[C@H](C(C)C)[C@H](O)[C@@H]2[C@@H](C)CC[C@H]12 2356670514 QVZYHISQRYCOFW-JARUQAPTSA-N 222.372 3.632 30 1 BHEF C=CCCCCC=CC=CC#CC#CC#CC 2356553783 LEQCZKIMKYGCIQ-UHFFFAOYSA-N 222.331 3.875 30 1 BHEF N#Cc1cc2cc3ccccc3cc2cc1C#N 64624940 ZDOLIEFMOFUAHC-UHFFFAOYSA-N 228.254 3.736 30 1 BHEF in-vitro CCCCCCCC#CCCCCC(=O)O 102182450 ZLVZZNAVHZNAEK-UHFFFAOYSA-N 224.344 3.995 30 1 BHEF C=C(C)[C@]1(O)CC[C@]2(C)CC=C(C)CC[C@@H]12 13432034 LUWBRNPYIXNQTG-QLFBSQMISA-N 220.356 3.840 30 1 BHEF biogenic C=C[C@@](C)(CC[C@H](O)C(=C)C)c1ccc(O)cc1 14714507 JIROVCDWAHREJH-HOTGVXAUSA-N 246.350 3.553 30 1 BHEF biogenic C=C1CC[C@H](C(C)C)[C@@H]2C=C(C)C[C@H](O)[C@@H]12 14918093 WFHKESPONQXPGD-QPSCCSFWSA-N 220.356 3.552 30 1 BHEF biogenic C=CC(C)(C)c1nc2ccc(SC)cc2[nH]1 587954636 CRZIITFJGROSAZ-UHFFFAOYSA-N 232.352 3.748 30 1 BHEF C[C@@H]1CC(=O)C=C(Nc2ccc(Cl)cc2)C1 34218176 YPHPEIMMVSEBTK-VIFPVBQESA-N 235.714 3.635 30 1 BHEF C=C[C@@](C)(O)CCC1=C(C)[C@@H]2C[C@@H]2C1(C)C 13376899 WFLJLXHLEAJNDE-CORIIIEPSA-N 220.356 3.696 30 1 BHEF C=C1CC[C@@H]2C(C)(C)CCC[C@]2(C)[C@H]1CO 34300355 ZPTSRWNMMWXEHX-GZBFAFLISA-N 222.372 3.778 30 1 BHEF CCCCCCC/C=C/CC#CC#C/C=C/CO 205757336 KJUXJIQGIJBGRT-IZCPETMFSA-N 244.378 3.849 30 1 BHEF C=C1CC[C@@H](C)C(=C)[C@@]12CC=C(C)C(=O)C2 13299382 HKEVEORRDSCJDT-MEBBXXQBSA-N 216.324 3.824 30 1 BHEF biogenic C=C1C=C[C@H]([C@H](C)CCC=C(C)C)C[C@@H]1O 13377629 UNSGLJWOHGSVLW-SNPRPXQTSA-N 220.356 3.862 30 1 BHEF biogenic O=C1C(=C2CCc3ccccc32)Cc2ccccc21 1857622775 GDGCNJMFHOCJEH-UHFFFAOYSA-N 246.309 3.825 30 1 BHEF CC(C)=CC(=O)C=C(C)CCC(=O)c1ccoc1 2356399622 BPECSJWVNSQYFV-UHFFFAOYSA-N 246.306 3.724 30 1 BHEF CCCNc1ccc2cccc3c2c1C(=O)C=C3 1857744417 SHOYOJMICNHCSS-UHFFFAOYSA-N 237.302 3.871 30 1 BHEF C=C(CCC=C(C)C)[C@@H]1C[C@H](CO)C1(C)C 13414521 FYGXEWITUKAOJO-KGLIPLIRSA-N 222.372 3.944 30 1 BHEF biogenic CC1=C[C@H]2C(=C(C)C)CC[C@H](C)[C@H]2CC1=O 238739152 WCBCKXJLRYPWHZ-GDLCADMTSA-N 218.340 3.904 30 1 BHEF CC1=CC[C@H](C(C)C)[C@@H]2C[C@H](C=O)CC[C@H]12 2356654496 YNJVDSYCRWSLLF-TUVASFSCSA-N 220.356 3.840 30 1 BHEF C=CCOc1ccc(OCCC)cc1CC=C 98085629 NTVRGIMIMBAGIG-UHFFFAOYSA-N 232.323 3.769 30 1 BHEF CCCCCCC/C=C\CC#CC#C/C=C/CO 205757318 KJUXJIQGIJBGRT-ZHEVCFECSA-N 244.378 3.849 30 1 BHEF C=C1CC[C@@H](C(C)C)[C@@H]2/C(=C\C)C(=O)C[C@@H]12 238778433 PXEXQPYJEJLXLA-LLIXWNAMSA-N 218.340 3.760 30 1 BHEF CC(=Nc1ccccc1C)N[C@@H]1C[C@H]2CC[C@H]1C2 261176251 UXGVBEZDJTXWGO-OFQRWUPVSA-N 242.366 3.823 30 1 BHEF C=C1C[C@H]2C=C[C@@H](C[C@@H]3[C@@H]1CC3(C)C)[C@]1(C)O[C@@H]21 2356778438 VGYMECICNDNREG-FAYXSQRVSA-N 244.378 3.958 30 1 BHEF C=C(C)[C@@H]1CCC(CO)=C2CC[C@@H](C)[C@@H]2C1 15264317 XDJJQGUABGVLLV-JMSVASOKSA-N 220.356 3.698 30 1 BHEF biogenic CCCCCCCCCCC[C@@H](O)CC=O 58631448 PCOHAOZBEIUVSX-CQSZACIVSA-N 228.376 3.857 30 1 BHEF in-vitro C=C1C(=O)O[C@@H]2C/C(C)=C\C/C=C(\C)CC[C@@H]12 238752651 CUGKULNFZMNVQI-XWBNKFTCSA-N 232.323 3.551 30 1 BHEF C=C(C)[C@@H]1CC=C2[C@@H](O)CC[C@@H](C)[C@]2(C)C1 40950268 NJWPLFBOSCSZFA-UXOAXIEHSA-N 220.356 3.696 30 1 BHEF biogenic,in-vitro CC1=CC(=O)[C@@H](C(C)C)CC[C@H](C)C(=O)CC1 2356509654 XAGZDWNJBFVXAE-QWHCGFSZSA-N 236.355 3.553 30 1 BHEF C=CCCCCC=CC=CC#CC#C[C@@H](O)CC 2356651797 CHURXZSRNKTJKF-KRWDZBQOSA-N 242.362 3.623 30 1 BHEF C=C(C)[C@H]1CC[C@]2(C)[C@@H](O)CC[C@@H](C)[C@@H]2C1 5812714 SZJYIPBMAVTAPS-QTVXIADOSA-N 222.372 3.776 30 1 BHEF C=C1C=C[C@@]2(C[C@H]1O)[C@@H](C)CC[C@@H]2C(C)C 14413202 QLUSLBMNADHHII-GBJTYRQASA-N 220.356 3.552 30 1 BHEF biogenic,in-vitro CC(C)=C1C[C@@H]2O[C@]2(C)CC/C=C(/C)CC1=O 15160634 DWGVRYKQVZGSIB-ZDUQJDDRSA-N 234.339 3.570 30 1 BHEF endogenous,in-man C=CC/C=C\CC/C=C/C=C/C(=O)NCC(C)C 214874992 LNARJATWMIXKCY-AYDIKMHNSA-N 247.382 3.784 30 1 BHEF Cc1nc2cc(/N=C\c3ccc(C)o3)ccc2[nH]1 5322610 MITAUMDRXJCWBH-NVNXTCNLSA-N 239.278 3.523 30 1 BHEF C=C(CO)[C@H]1CC[C@H](C)[C@H]2CCC(C)=C[C@H]12 13381255 CZSSHKCZSDDOAH-MYPMTAMASA-N 220.356 3.554 30 1 BHEF C=C1CC[C@H]2C[C@H]3[C@@H](C)CC[C@@]13OC2(C)C 15160994 YZUVVKAQOQBOJE-GZCFXPHUSA-N 220.356 3.936 30 1 BHEF biogenic Cc1ccc(C)c2[nH]c(C#Cc3ccccc3)nc12 587953408 KDQDTZYBOJVMDQ-UHFFFAOYSA-N 246.313 3.580 30 1 BHEF C=C1C[C@H](O)C=C(C)CC[C@@H]2[C@H]1CC2(C)C 2356710423 DJGZASXOWNHOFE-HZSPNIEDSA-N 220.356 3.696 30 1 BHEF C=C1CCC[C@@H]2CC(=O)C(=C(C)C)C[C@@H]12 238731978 WKMJPPKTUOCJJR-YPMHNXCESA-N 204.313 3.658 30 1 BHEF C=C[C@](C)(O)CCC=C(C)C(=O)CC=C(C)C 2356709043 MUORSVLFTLIZJO-HNNXBMFYSA-N 236.355 3.575 30 1 BHEF C=C(C)C1=C[C@@H]2[C@H](CC[C@@]2(C)O)[C@@H](C)CC1 15264435 KPIRXWIQLXYWOA-ZGKBOVNRSA-N 220.356 3.696 30 1 BHEF biogenic C=C1CCC[C@]2(C)CC[C@@H](C(C)C)C[C@@]12O 85758526 DIFRMHMHLVIDPB-RBSFLKMASA-N 222.372 3.920 30 1 BHEF Cc1ccc2nc(C#Cc3ccccc3)[nH]c2c1C 587953663 PHAPDDNZQJVVQI-UHFFFAOYSA-N 246.313 3.580 30 1 BHEF C=C1CCC(=O)[C@]2(C)CC[C@@H](C(=C)C)C[C@@H]12 15207057 JUKLYNAAYSJUIL-VNHYZAJKSA-N 218.340 3.904 30 1 BHEF biogenic CC1=CC(=O)[C@H]2C[C@@]13C[C@H](C(C)C)CC[C@]23C 2356329652 JIVNCYKRHXSPEU-XOUADPBQSA-N 232.367 3.984 30 1 BHEF C=CCCCCC[C@@H]1O[C@H]1CC#CC#CC=CC 2356433148 YSDPVCLBQZDPNI-IRXDYDNUSA-N 242.362 3.863 30 1 BHEF CCCCCCCCCc1cccc(=O)o1 2356805634 ADNHAJGXCNYNRR-UHFFFAOYSA-N 222.328 3.933 30 1 BHEF C=C1CCC=C(C)CC[C@@H]2[C@@H]([C@H]1O)C2(C)C 2356581000 HDPSCJCUYZMNFI-RDBSUJKOSA-N 220.356 3.696 30 1 BHEF C=CCC/C=C/CC/C=C\CCC(=O)OC 33834096 CBXFSJPKRGHKGL-WFKFFMJQSA-N 222.328 3.798 30 1 BHEF biogenic,in-vitro CC1=CC(=O)[C@H]2C[C@@]13C[C@H](C(C)C)CC[C@@]23C 2356329650 JIVNCYKRHXSPEU-VDERGJSUSA-N 232.367 3.984 30 1 BHEF CC(C)=CCc1ccc2c(CC#N)c[nH]c2c1 14451358 WXAZQTKZTNNGIV-UHFFFAOYSA-N 224.307 3.743 30 1 BHEF biogenic CC(=O)CC[C@@H]1C(=O)C=C(C(C)C)CC[C@@H]1C 14694275 PDXOECHKUSAMHE-FZMZJTMJSA-N 236.355 3.553 30 1 BHEF biogenic C=C(C)[C@@H]1CC[C@@]2(C=C(C)C(=O)C[C@H]2C)C1 238762146 YYZGYGHTZBOPEE-UMVBOHGHSA-N 218.340 3.904 30 1 BHEF CC1=CC[C@]2(CC1=O)[C@@H](C)CC[C@@H]2C(C)C 14413265 HBTHUBMUAHAWBC-GUTXKFCHSA-N 220.356 3.984 30 1 BHEF endogenous,in-man C=C(C)[C@@H]1CC(=O)C2=CCC[C@@H](C)[C@]2(C)C1 15200602 BSUGIIZTULADOL-JMSVASOKSA-N 218.340 3.904 30 1 BHEF biogenic C=CC[C@]12N[C@H](Cc3ccccc31)c1ccccc12 26016976 ZEZKMPQSDDFEQR-MSOLQXFVSA-N 247.341 3.707 30 1 BHEF C=C1[C@H]2C[C@H](C(=C)C)CC[C@]2(C)CC[C@H]1O 257401903 CZFHAODYOVXPIQ-KBUPBQIOSA-N 220.356 3.696 30 1 BHEF endogenous,in-man C=C1CC[C@@H]2O[C@]2(C)CC[C@H]2[C@@H]1C[C@H]2C 2356520022 WNIHTICIPAEQLC-XGFWRYKXSA-N 206.329 3.546 30 1 BHEF C=C1CC[C@H](C)C(C)(C)[C@@H]1C=CC(C)=O 2356534567 MVPDTCQYNRKWJA-WCQYABFASA-N 206.329 3.760 30 1 BHEF C[C@H]1CC(=O)C=C(Nc2ccc(Cl)cc2)C1 34218175 YPHPEIMMVSEBTK-SECBINFHSA-N 235.714 3.635 30 1 BHEF C=CCCC=CCCC=CCCC(=O)OC 2356639758 CBXFSJPKRGHKGL-UHFFFAOYSA-N 222.328 3.798 30 1 BHEF C=CCN1CCC[C@@]2(c3ccccc3)CC[C@@H]1C2 29307310 HMWVGMFZKWHIJH-IAGOWNOFSA-N 241.378 3.759 30 1 BHEF C=C1[C@H]2C[C@@](C)(C[C@H]1O)[C@@]1(C)CCC[C@@]21C 238760092 DDWYCTLZQKRVQC-NIFZNCRKSA-N 220.356 3.530 30 1 BHEF C=C1[C@H]2CC[C@@H](C2)[C@@]1(C)CCC=C(C)C(=O)O 2356586198 PMCPDNGTLRPFQQ-YDHLFZDLSA-N 234.339 3.790 30 1 BHEF CC1=C2C(=O)C[C@@H](C)[C@@]23CC[C@H](C3)C1(C)C 38763276 SHUZZAXJEJPUGA-OSQNNJELSA-N 218.340 3.738 30 1 BHEF C=C1CC[C@@H]2O[C@@H]1[C@@H]1[C@@H](C(C)C)CC[C@]21C 104374440 BITBXAWCPCNKKN-CAEXGNQWSA-N 220.356 3.792 30 1 BHEF in-man C=C1CCC[C@@]2(C)CC[C@H](C(C)C)C(=O)[C@H]12 238756135 TYQALBNCJWAILN-IPYPFGDCSA-N 220.356 3.984 30 1 BHEF C=C1CCC=C(C)[C@H](O)C[C@H]2[C@H]1CC2(C)C 2356518375 OIEGRICJBAVBOD-MELADBBJSA-N 220.356 3.696 30 1 BHEF C=C1C[C@](C)(C=O)CC[C@H]2[C@H]1CC2(C)C 13377170 KHGAHZYLXXABTK-SGMGOOAPSA-N 206.329 3.594 30 1 BHEF biogenic COc1cc(C#N)ccc1Oc1cccc(C)c1 40833661 XMFGJPOABFQKTB-UHFFFAOYSA-N 239.274 3.668 30 1 BHEF in-vivo CCCCCCC/C=C/C=C\CC(=O)O 102181735 PTYZGNZCLHAQEB-OCBXPSTGSA-N 210.317 3.934 30 1 BHEF C=C1[C@@H]2C[C@@H](C[C@@H]2CO)[C@]1(C)C1CCCCC1 85546682 WRTRGCCKEVBYEW-OJLVUWQFSA-N 234.383 3.778 30 1 BHEF biogenic,in-vitro CC(C)=CC(=O)C[C@]1(C)[C@@H]2C[C@H]3[C@@H](C2)[C@]31C 238769744 IFTSMWIUBFZANQ-RCSLCFTFSA-N 218.340 3.594 30 1 BHEF C=CCc1c(CC)nc2cccc3c2c1CC3 587214786 YTULLLDZYCKSEQ-UHFFFAOYSA-N 223.319 3.624 30 1 BHEF C=C1CCC[C@]2(C)CC[C@H](c3cc3=O)C[C@H]12 2356474465 SIQVVJZAJWQLNM-NJZAAPMLSA-N 216.324 3.553 30 1 BHEF C=C(C)[C@H]1CC[C@]2(C)CC=C(C(=O)O)CC[C@@H]12 14956157 XGIXSMYBMGPSNO-IPYPFGDCSA-N 234.339 3.790 30 1 BHEF biogenic,in-vitro Cc1ccc(/C=N\N=C\c2ccc(C)s2)s1 15985779 QXERRTVWENUEGZ-MFUUIURDSA-N 248.376 3.879 30 1 BHEF C=C(C)[C@@H]1CC(=O)[C@H]2C=CC[C@H](C)[C@@]2(C)C1 85725443 CSROQEWHHKSXKD-KYEXWDHISA-N 218.340 3.760 30 1 BHEF C=C(C)[C@H]1CC[C@]2(C)CC(=O)C=C(C)[C@@H]2C1 100778472 IVZATFCVCDHOLU-AEGPPILISA-N 218.340 3.904 30 1 BHEF endogenous,in-man C=CCO[C@H](c1ccc(C(=O)O)cc1)C(C)(C)C 29390657 NIFLIMZCOWAOGB-CYBMUJFWSA-N 248.322 3.675 30 1 BHEF C=C1CC[C@H]2C[C@@]3(OC2(C)C)C(C)=CC[C@@H]13 95911807 MGSOIRWVRUQEDG-KCQAQPDRSA-N 218.340 3.857 30 1 BHEF biogenic,in-vitro C=C(C)[C@@H]1CC[C@]2(C)CCC[C@](C)(N)[C@H]2C1 238738966 IEHDMDFZDJQIHW-QPSCCSFWSA-N 221.388 3.886 30 1 BHEF CCCCCCC=CC[C@@H]1C[C@@H]1C(=O)O 2356323566 CYZBYYRNFIYDSJ-NEPJUHHUSA-N 210.317 3.624 30 1 BHEF C=C(CCC=C(C)C)[C@H]1C[C@@H](CO)C1(C)C 13414529 FYGXEWITUKAOJO-UONOGXRCSA-N 222.372 3.944 30 1 BHEF biogenic C=C[C@]1(C)C[C@H](O)[C@H](C(=C)C)C[C@H]1C(C)C 15150026 SNRRJYWOCWXKHG-ZQDZILKHSA-N 222.372 3.798 30 1 BHEF biogenic CCCCCCCCCC(=O)CC(=O)SC 56871192 FMQMUFPYWXCTLQ-UHFFFAOYSA-N 244.400 3.976 30 1 BHEF C=CC(C)(C)c1nc2ccc(C)c(C)c2[nH]1 587954214 IVAMRIBCYAVHJP-UHFFFAOYSA-N 214.312 3.643 30 1 BHEF Cc1nc(NC(C)(C)C)c2ccccc2c1C#N 653715427 AJLJGVWPFHGWGZ-UHFFFAOYSA-N 239.322 3.625 30 1 BHEF C=C1CC[C@H]2C[C@@H]1C(C)(C)C[C@@H](O)/C=C/2C 169290872 CXCWPODYESQSPM-MGYQHCTBSA-N 220.356 3.696 30 1 BHEF C=C[C@@]1(C)CCC=C(C)CC[C@@H](C(C)(C)O)O1 253779083 LWYUSWLRBKNRLB-ZFWWWQNUSA-N 238.371 3.608 30 1 BHEF C=C1CCC=C(C)CCC=C(C)C[C@@H]1O 2356377857 NWBFVPGCVIAARR-AWEZNQCLSA-N 206.329 3.760 30 1 BHEF C=C1CCC=C(C)[C@H](O)CC(C)(C)[C@@H]2C[C@H]12 2356510124 OAGCICGOMKMMKK-MGPQQGTHSA-N 220.356 3.696 30 1 BHEF C=C1CC=CC(C)(C)[C@@H]1CCC(C)=CCO 2356792096 JIELODJRDBKUMP-CQSZACIVSA-N 220.356 3.864 30 1 BHEF C=C1C(=O)O[C@@H]2CC(C)=CCCC(C)=CC[C@@H]12 2356479058 BBMLTTOFEBDQIR-UONOGXRCSA-N 232.323 3.551 30 1 BHEF C=C(C)[C@@H]1CC[C@@H]2C(=O)CC[C@@H](C)[C@@]2(C)C1 85725643 YHPOLTFUARNADB-RGCMKSIDSA-N 220.356 3.984 30 1 BHEF endogenous,in-man CC1(C)[C@H]2CC[C@]1(C)/C(=N/Cc1cccnc1)C2 211453715 LVWFPBKKXDPCNA-BEWMLPHSSA-N 242.366 3.869 30 1 BHEF C=C[C@]1(C)CC[C@@H](C(=C)C)C[C@H]1C(=C)CO 299832417 FYFYUUCNNPIZCT-QLFBSQMISA-N 220.356 3.720 30 1 BHEF C=C1C=C[C@H]([C@H](C)C[C@@H](O)C=C(C)C)CC1 13377583 KRPZTCZJBVPGEM-ILXRZTDVSA-N 220.356 3.862 30 1 BHEF endogenous,in-man C=CCN[C@@H]1C(c2ccccc2)=C[C@@H]2CC[C@H]1C2 27655535 NCYMZGFOAAWUDD-KMFMINBZSA-N 239.362 3.644 30 1 BHEF C/C1=C\[C@@H]2[C@H](CC/C(C)=C/CC1)[C@]2(C)C=O 238764808 PLERVCQIUZNKMR-HWEOPIBVSA-N 218.340 3.904 30 1 BHEF CC(=O)C=CC[C@@H]1[C@H]2CC[C@@H](C2)C1(C)C 2356458560 PMWMFQBVQIZNOD-RWMBFGLXSA-N 206.329 3.594 30 1 BHEF C=CCN[C@@]12CCCC[C@H]1CCc1ccccc12 26156112 WDUANPFUTATVQW-RDJZCZTQSA-N 241.378 3.794 30 1 BHEF C=C1CC[C@H](C(C)(C)O)[C@@H]2C=C(C)CC[C@H]12 2356737990 QHNDBEIHGDNMQH-MCIONIFRSA-N 220.356 3.696 30 1 BHEF C=C1C[C@H]2C=C[C@@H](C[C@@H]3[C@@H]1CC3(C)C)[C@@]1(C)O[C@H]21 2356778437 VGYMECICNDNREG-DZGCXMPZSA-N 244.378 3.958 30 1 BHEF C=C(C)[C@H](O)/C=C\c1ccc(C(F)(F)F)cc1 73044186 BSAKFIBWNHXYCK-VVEJJEBESA-N 242.240 3.656 30 1 BHEF C=C1CN2[C@H]3CC[C@H]2[C@H]1[C@H](c1ccc(C)cc1)C3 199571415 BMNNHOAPHMYHIH-LUKYLMHMSA-N 239.362 3.501 30 1 BHEF C/C1=C/CCC(=O)/C=C\[C@@H]2[C@H](CC1)C2(C)C 210074265 WCZCSOXIWRFHNZ-LIECPQAESA-N 218.340 3.904 30 1 BHEF O=c1ccc2cc(/N=C/c3ccccc3)ccc2o1 1857589236 JGGXMRCFUJMMJT-GZTJUZNOSA-N 249.269 3.544 30 1 BHEF C=C(C)[C@H]1CC[C@@]2(C)OC(=O)C(=C(C)C)C[C@@H]12 14921429 ZZEKLJSJUUZCFB-OSAQELSMSA-N 234.339 3.631 30 1 BHEF C=C1CCC(=O)[C@H](C)CC[C@H]2[C@@H]1CC2(C)C 169294278 GWBJPNAWYMBRLQ-UPJWGTAASA-N 220.356 3.984 30 1 BHEF C=CCc1c(C2CC2)nc2cccc3c2c1CC3 587214733 XLPVHCLCNHUYEE-UHFFFAOYSA-N 235.330 3.939 30 1 BHEF Cc1ccc(-c2[nH]c3cc(F)ccc3c2C#N)o1 587635750 QVEIZCZFKWPXMX-UHFFFAOYSA-N 240.237 3.747 30 1 BHEF CC(C)=C1C[C@@H]2O[C@]2(C)CC[C@H]2C[C@]2(C)CC1=O 2356421080 YMFOAVNNIBPOJO-DANNLKNASA-N 248.366 3.650 30 1 BHEF C=C(C)C=C[C@@H]1C(C)(C)CCC[C@@]12CO2 2356461475 HQWBEAAZOBOEBO-TZMCWYRMSA-N 206.329 3.714 30 1 BHEF C/N=C(/c1ccccc1)c1c(C)cccc1C 101737367 PIHUONJWDXRQFS-MSUUIHNZSA-N 223.319 3.771 30 3 BHEF C/C1=C/CC[C@]2(CO2)[C@@H]2CC(C)(C)[C@H]2CC1 238752071 AURKDPLYMRHYAY-BFYXVQBQSA-N 220.356 3.938 30 1 BHEF endogenous,in-man C=C[C@]1(C)CC[C@@H](CO)C(C)(C)[C@@H]1C(=C)C 33831083 OUHIEGFKRWELJI-KCQAQPDRSA-N 222.372 3.800 30 1 BHEF biogenic,in-vitro O=N[C@H](c1ccccc1)[C@H]1O[C@@H]1c1ccccc1 169705210 OMGAPFGTLVUQBM-RBSFLKMASA-N 239.274 3.634 30 1 BHEF C=C1C[C@@H]2[C@@H](C=C1C)[C@@H](C(C)C)CC[C@@]2(C)O 238753180 YXRUPFKBLNUVSR-QKPAOTATSA-N 234.383 3.942 30 1 BHEF C[C@H]1C[C@@H]1c1[nH]c2cc(Cl)c(F)cc2c1C#N 587630335 JEIPAHNVUAUALK-BQBZGAKWSA-N 248.688 3.955 30 1 BHEF CC(C)(C)c1c(CC#N)[nH]c2cccc(F)c12 587635209 IIMOKIWYJKHNID-UHFFFAOYSA-N 230.286 3.671 30 1 BHEF C[C@@H]1CC[C@]2(C)[C@]3(C)O[C@@H]3[C@]3(C)CCC[C@]123 2356493831 IDMHLGOISSURSV-QAUDVVSPSA-N 220.356 3.770 30 1 BHEF C=C1CCCC(C)(C)[C@H]1C=CC(C)=CCO 2356548878 IMXZGMHVWXWJPL-AWEZNQCLSA-N 220.356 3.864 30 1 BHEF CC1=CC[C@H](C(C)C)[C@@H]2C[C@@H](C=O)CC[C@@H]12 2356654497 YNJVDSYCRWSLLF-XGUBFFRZSA-N 220.356 3.840 30 1 BHEF C=C(C)[C@@H]1CC[C@]2(C)O[C@]23CC[C@H](C)[C@@H]3C1 15160990 OQZCYVPJJHEMSP-AICCOOGYSA-N 220.356 3.936 30 1 BHEF biogenic C=C1CCC(=O)C(C)=CC[C@H]2[C@@H]1CC2(C)C 2356329141 UVPVOJNEDSOAHT-OLZOCXBDSA-N 218.340 3.904 30 1 BHEF C=C1C=C[C@@H](C(=C)C)CCC(=C)[C@H](O)CC1 2356385788 ZUGVZVDNBZYDHU-HUUCEWRRSA-N 218.340 3.782 30 1 BHEF C=C(C)[C@@H]1CC[C@@]2(C)CC=C(CO)CC[C@H]12 13432035 AUASPLXQOHHJLG-RRFJBIMHSA-N 220.356 3.698 30 1 BHEF biogenic C=C(C)C1=CC(=O)C2=C(C(=C)O1)[C@H](C)CCC2 14558562 YGEQHWHNGOJSGT-SNVBAGLBSA-N 230.307 3.676 30 1 BHEF biogenic CCCC[C@H](C#N)c1ccc(Cl)cn1 95872398 ABBPPOIQUOQBJB-SECBINFHSA-N 208.692 3.532 30 1 BHEF CC[C@H](C)C(=O)c1coc2cc(C#N)ccc12 587279618 YDBSTBGHNPAWEB-VIFPVBQESA-N 227.263 3.533 30 1 BHEF C=C1CC[C@H](C(C)C)[C@H]2C(=CC)C(=O)C[C@@H]12 2356517650 PXEXQPYJEJLXLA-VNHYZAJKSA-N 218.340 3.760 30 1 BHEF C=C(C)[C@@H]1CC[C@](C)(O)[C@H]2CCC(C)=C[C@H]21 2356718197 NRNOOMCOYPENIN-AJNGGQMLSA-N 220.356 3.696 30 1 BHEF CC#Cc1ccc(C#Cc2cccs2)s1 14680542 ZGJINZFFSXDNKV-UHFFFAOYSA-N 228.341 3.581 30 1 BHEF biogenic C=C1C(=O)O[C@@H]2/C=C(/C)CCC[C@H](C)CC[C@H]12 169290365 DCNAVROPXHTJGM-NDIROHOPSA-N 234.339 3.631 30 1 BHEF C=C1CCC(=O)[C@]2(C)CC[C@H](C(C)C)[C@@H]2C1 230092192 JBOONPKUPONSIB-VNHYZAJKSA-N 220.356 3.984 30 1 BHEF endogenous,in-man C=CC[C@@H]1CC[C@@H](CC)[C@@H]2CCCCN12 15205547 NRZJZBQAXGAIHA-MCIONIFRSA-N 207.361 3.606 30 1 BHEF C=C1C(=O)C[C@H]2C(C)(C)CCC[C@]2(C)[C@H]1CC=O 38676463 NOTUMAFJLQEUEE-DUVNUKRYSA-N 248.366 3.553 30 1 BHEF C#CCC1(c2nc3ccccc3[nH]2)CCCCC1 586880028 WWYJQSZILGIROC-UHFFFAOYSA-N 238.334 3.788 30 1 BHEF C=C1CC(=O)C[C@H](C)CC[C@H]2[C@H]1CC2(C)C 13383884 XIFNHTVOUZHUCY-SWHYSGLUSA-N 220.356 3.984 30 1 BHEF biogenic C=C[C@@]1(C)CC[C@@H](/C(C)=C2\C=CC(C)(C)O2)O1 13432712 ZFMNPTVNDZBEHA-BJKSPJJASA-N 234.339 3.749 30 1 BHEF C=CCC[C@@H](C/C=C(\C)CCO)C(C)C 33820535 IACZATYFQLYZJM-CZAWJFPGSA-N 210.361 3.944 30 1 BHEF C=C[C@]1(C)[C@@H](O)CC(=C(C)C)C[C@H]1C(=C)C 33832805 NXYYOMZNPGACRA-KKUMJFAQSA-N 220.356 3.862 30 1 BHEF biogenic,in-vitro CC1=CCCC(C)=C2CC(C)(C)C=C2C1=O 238738563 VDFOMVRWDSKWSL-UHFFFAOYSA-N 216.324 3.968 30 1 BHEF CC[C@H](C)C=CC=CC=CC(O)=CC(C)=O 2356593516 MREIRTWZXYCJLD-LBPRGKRZSA-N 220.312 3.732 30 1 BHEF C=C(C)[C@@H]1CC[C@@]1(C)[C@@H]1CC=C(C(=O)O)CC1 203379082 BLGAJKOXJDHQAR-IPYPFGDCSA-N 234.339 3.790 30 1 BHEF C=CC(=O)[C@H]1CC[C@H](CC(C)(C)C)CC1 253666896 RIQHEZVAIWATHX-HAQNSBGRSA-N 208.345 3.984 30 1 BHEF CC1(C)CCC[C@]2(C)OC[C@@H]3O[C@@]3(C)CC[C@@H]12 14855784 KDMDYZZDZDVDQD-JURCDPSOSA-N 238.371 3.539 30 1 BHEF biogenic N#Cc1ccc2[nH]cc(/C=C/c3cccnc3)c2c1 72108653 YLUBXVCLLCCQQC-HWKANZROSA-N 245.285 3.605 30 1 BHEF C=CCc1cccc2nc(C=C3CCC3)[nH]c12 587964550 CCWDCDCDZWASMI-UHFFFAOYSA-N 224.307 3.859 30 1 BHEF C=C1CCC=C[C@H](C)C(=O)[C@@H]2[C@@H]1CC2(C)C 2356587591 QGLAKZJZPXRQJR-XQQFMLRXSA-N 218.340 3.760 30 1 BHEF C=C1CC=C[C@@]2(C)Cc3occ(C)c3C[C@@H]12 39205663 BZQURGSQMBBPRU-ZFWWWQNUSA-N 214.308 3.825 30 1 BHEF biogenic,in-vitro C[C@@]1(/C=C2/C=CCCCC2)SC(=O)C=C1O 102178916 OYPGKGVZFWZXLZ-XPSMFNQNSA-N 236.336 3.517 30 1 BHEF C=CCOc1ccc(OCCC(C)C)cc1 103210426 HOYMTWYUMQYPBU-UHFFFAOYSA-N 220.312 3.676 30 1 BHEF C=C1CC(C(C)C)=CC[C@H]2[C@H]1CC[C@]2(C)O 238770694 MDWXTAJJDBSNKM-KKUMJFAQSA-N 220.356 3.696 30 1 BHEF CC1(C)OC(C)(C)C(/C=N/c2ccccc2)=C1O 101851008 XXKMNQNUPUQDHY-MHWRWJLKSA-N 245.322 3.788 30 1 BHEF C=C1CC[C@H](C(C)C)[C@H]2C=C(C)C[C@@H](O)[C@H]12 238755843 WFHKESPONQXPGD-KBUPBQIOSA-N 220.356 3.552 30 1 BHEF biogenic C=C1C=CC[C@H](C)CC(=O)c2c(C)coc2C1 2356683185 KIOIOKFCSBQUGC-JTQLQIEISA-N 230.307 3.856 30 1 BHEF C=C1CC[C@]2(C)C[C@H]1[C@]1(C=O)CCC[C@]21C 231253910 WQOYFPJIOSPRJD-KBUPBQIOSA-N 218.340 3.738 30 1 BHEF CCCCCCC[C@H](O)CC1=NCCCC1 2356845270 ODBVVAANIDRJBL-AWEZNQCLSA-N 225.376 3.723 30 1 BHEF C(#CCCC1CCCCC1)CCc1cnc[nH]1 2001873 LATXTZVCBBIDBM-UHFFFAOYSA-N 230.355 3.706 30 1 BHEF in-vivo COc1c(Cl)nc2ccccc2c1N=[N+]=[N-] 17253737 CDBXPLLXFNTSTN-UHFFFAOYSA-N 234.646 3.839 30 1 BHEF C=C1CCC(=O)C(C)=CC[C@@H]2[C@H]1CC2(C)C 2356329142 UVPVOJNEDSOAHT-QWHCGFSZSA-N 218.340 3.904 30 1 BHEF C=C(C)[C@@H]1CCCC2=C3[C@H](C[C@H](C)[C@@H]3C1)OC2=O 2356352820 CARIPAAQQKWUCB-XCCSTKFXSA-N 246.350 3.631 30 1 BHEF C=C[C@](C)(O)CCC[C@H](C)CC(=O)C=C(C)C 14452678 VQLQYAMTNKORFK-ZFWWWQNUSA-N 238.371 3.655 30 1 BHEF biogenic CCC1(CC)Cc2ccccc2C(=N)[C@H]1C#N 36023270 OUEITSIPOFEVSK-CYBMUJFWSA-N 226.323 3.557 30 1 BHEF Cc1ccc([C@]2(C)CC[C@@]3(C)O[C@@]23C)cc1 238733924 KACIPUBUINXLKX-ZNMIVQPWSA-N 216.324 3.594 30 1 BHEF CC(C)(C)O[C@@H]1[C@H](C#Cc2ccccc2)C1(C)C 1089478 UNPREQGPSDDNAV-LSDHHAIUSA-N 242.362 3.878 30 1 BHEF C/C1=C/CC[C@]2(CO2)[C@H]2CC(C)(C)[C@@H]2CC1 13383727 AURKDPLYMRHYAY-BBOSXGCTSA-N 220.356 3.938 30 1 BHEF endogenous,in-man C=CCCC[C@@H](C)[C@@H]1CCC(C)=CC1=O 14592373 CMFRIKLCLXGUBM-OLZOCXBDSA-N 206.329 3.904 30 1 BHEF biogenic C=CCC(C)(C)c1nc2cc(C)cc(F)c2[nH]1 587954307 OGPBFEFDSMTJAM-UHFFFAOYSA-N 232.302 3.864 30 1 BHEF C=C1CCCC(C)=C[C@@H]2OC(=O)[C@@H](C)[C@H]2CC1 2356330760 UZVSMYIAXFVOFU-MJBXVCDLSA-N 234.339 3.631 30 1 BHEF C=C1CC[C@@H]2O[C@]2(C)CC[C@@H]2[C@@H](C)C[C@H]12 2356520020 WNIHTICIPAEQLC-MQLXINIDSA-N 206.329 3.546 30 1 BHEF C=CCCCC[C@]1(C)SC(=O)C(C)=C1O 13678488 VHYQZNQCEOCRPW-LBPRGKRZSA-N 226.341 3.597 30 1 BHEF C=C(C)[C@@H]1CC[C@@]2(C)CC=C(CO)CC[C@@H]12 14956119 AUASPLXQOHHJLG-SOUVJXGZSA-N 220.356 3.698 30 1 BHEF biogenic CC(C)=CC(=O)/C=C(C)/C=C/Cc1ccoc1 137826707 JUFQPGYYOPLPOO-VBJRVQAISA-N 230.307 3.860 30 1 BHEF C/C=C/C#CC#C/C=C/C=C/C=C/C(=O)CCC 238762020 WBQZLMJFBVLJJV-YZGIMWLWSA-N 238.330 3.607 30 1 BHEF C=C1C[C@H]2Cc3c(C)coc3CC(=C)[C@H]2C1 2356307240 PXXJFFAUJYCTFW-QWHCGFSZSA-N 214.308 3.825 30 1 BHEF C=C(C)[C@@H]1C[C@H](O)[C@]2(C)CCCC(=C)[C@H]2C1 2356585765 BFMDGLARCCRBDW-LJISPDSOSA-N 220.356 3.696 30 1 BHEF C[C@@H]1CCC2=C1C(=O)C(C)(C)C[C@@H]1C[C@]21C 32170262 RGESNQJVOSGLKA-FCHSOHFDSA-N 218.340 3.738 30 1 BHEF CC(C)C/N=C1/C=C(O)C[C@H](c2ccco2)C1 102345300 VFZOVHHCAMXOTK-UAKDJOGKSA-N 233.311 3.696 30 1 BHEF C[C@@H]1CCC[C@]23O[C@@H]2C[C@@H]2[C@H](C2(C)C)[C@]13C 2356331295 WDIRTEJWYGLLSB-YTDSDZJUSA-N 220.356 3.626 30 1 BHEF CC=CC=CC#CC=CC=CCCCCC=O 2356429843 JSONUWKRCNXRBR-UHFFFAOYSA-N 228.335 3.994 30 1 BHEF C=C(C)C=CC(N)=Cc1cn(C)c2ccccc12 2356788585 XIYULISWVADXQP-UHFFFAOYSA-N 238.334 3.610 30 1 BHEF C=C1c2ccoc2[C@@H](O)[C@@]2(C)[C@H](C)CC[C@@]12C 15194568 NKYAXZRYVXNYFH-ZAOWEBSESA-N 232.323 3.782 30 1 BHEF biogenic,in-vitro C=C1[C@@](C)(O)CC[C@H]2C(C)(C)CCC[C@]12C 238743512 SAJLLZGTTHMQBE-CFVMTHIKSA-N 222.372 3.920 30 1 BHEF C=CCC#CC#C[C@@H](O)/C=C\CCCCCC=C 38765178 AOVBGZVPTYLNNI-YHKKIHSWSA-N 242.362 3.623 30 1 BHEF biogenic,in-vitro CCO/N=C/c1ccccc1-c1ccccc1 72180433 LOKWQJVLOZVBEG-FOWTUZBSSA-N 225.291 3.724 30 1 BHEF C=C1C(=O)O[C@H]2/C=C(\C)CC/C=C(\C)CC[C@H]12 169643178 HRYLQFBHBWLLLL-STBPJCCXSA-N 232.323 3.551 30 1 BHEF C=C1CCC[C@H](CO)CC[C@@H]2[C@@H]1CC2(C)C 14920590 QPKKKWDNDWSIRV-BFHYXJOUSA-N 222.372 3.778 30 1 BHEF biogenic C=CCc1cccc(OCCC(C)C)c1OC 103280923 GFJHKHFTPMXOHC-UHFFFAOYSA-N 234.339 3.849 30 1 BHEF Cc1coc2cc3c(c(C)c12)[C@@H](C)C=CC3=O 238737973 SZUVQGZZTKBDAL-QMMMGPOBSA-N 226.275 3.906 30 1 BHEF CCCCCCC=CC[C@H]1C[C@H]1C(=O)O 2356323567 CYZBYYRNFIYDSJ-NWDGAFQWSA-N 210.317 3.624 30 1 BHEF CCCCCCCCC=C[C@H]1CCC(=O)O1 2356609992 QTGIYXFCSKXKMO-ZDUSSCGKSA-N 224.344 3.999 30 1 BHEF C=C1Cc2occ(C)c2C[C@@H]2C(=C)CC[C@H]12 15160980 IYXVWVHLIFWPEX-CHWSQXEVSA-N 214.308 3.825 30 1 BHEF biogenic C=C(C)[C@@H]1CC[C@@H]2C(=O)CC[C@H](C)[C@]2(C)C1 15201147 YHPOLTFUARNADB-JLNYLFASSA-N 220.356 3.984 30 1 BHEF endogenous,in-man N#Cc1cc(Cl)c2[nH]c(C3=CCCC3)nc2c1 586885033 TVPOHKKLGZQPIO-UHFFFAOYSA-N 243.697 3.655 30 1 BHEF CCCC/C=C\c1nc2cccc(C#N)c2[nH]1 587965615 NVZJFTGJDVFMSI-UITAMQMPSA-N 225.295 3.638 30 1 BHEF C=C(C)[C@@H]1CC[C@@](C)(O)[C@@H]2CC[C@H](C)[C@@H]2C1 85531596 VYOZKWKETGHHDW-XPABHHOTSA-N 222.372 3.776 30 1 BHEF biogenic,in-vitro C=C[C@](C)(O)C[C@H]1C=C(C)CC[C@@H]1C(=C)C 14560015 KPDSVTXZHWEKOQ-KFWWJZLASA-N 220.356 3.862 30 1 BHEF biogenic C=C1C[C@@]23CC[C@@H]1C(C)(C)[C@@H]2CC(=O)[C@@H]3C 197215033 MYBIRIVWDFZVCL-TZQJONAQSA-N 218.340 3.594 30 1 BHEF CC(C)=C1C=C2[C@@H](C)CC[C@H]2[C@@H](C)CC1=O 15264623 QOVRUHNFLAHBBB-SRVKXCTJSA-N 218.340 3.904 30 1 BHEF C=C1CC[C@H](C(C)C)[C@@H]2C(=CC)[C@@H](O)C[C@@H]12 2356607192 CYRJURSLHWHHQL-QPSCCSFWSA-N 220.356 3.552 30 1 BHEF C=CCCC[C@@H]1NCCc2c1[nH]c1ccccc21 42921381 XXKWGRARCMCTDL-HNNXBMFYSA-N 240.350 3.711 30 1 BHEF C=C(C)C(=O)CC[C@@]1(C)C2C[C@H]3[C@@H](C2)C31C 14690781 MDRVDKWRYQTZJE-GBZPBQOJSA-N 218.340 3.594 30 1 BHEF CCCCCCC#CCCC#CCCCC(=O)O 49877367 UOOOMCRYEFSUIM-UHFFFAOYSA-N 248.366 3.999 30 1 BHEF CCCCCC/C=C/C(=O)CCSC(C)=O 166391860 SKXRMIIWKQXYIT-CMDGGOBGSA-N 242.384 3.752 30 1 BHEF C=C1CC[C@@H]2O[C@H]1[C@H]1[C@@H](C(C)C)CC[C@@]21C 15167001 BITBXAWCPCNKKN-KHMAMNHCSA-N 220.356 3.792 30 1 BHEF endogenous,in-man C=C(C)[C@@H]1CC[C@@H]2CCC[C@](C)(O)[C@@]2(C)C1 238780739 AJAZIQKKRHDLGH-QPSCCSFWSA-N 222.372 3.920 30 1 BHEF C=CC1=C2C=C(C(=C)C)CC[C@]2(C)C[C@@H](O)C1 2356704619 ATDCMONBZOSPNV-GOEBONIOSA-N 230.351 3.926 30 1 BHEF Oc1[nH]c2ccccc2c1/C=N/c1ccccc1 13125776 KOBUXAQDZSROAT-MHWRWJLKSA-N 236.274 3.624 30 1 BHEF C=C[C@@H](C)c1ccc(C)cc1CC(C)(C)O 36471799 GQUGDHVDNITJEZ-GFCCVEGCSA-N 218.340 3.598 30 1 BHEF N#Cc1c(C(F)F)[nH]c2ccc(F)c(Cl)c12 587629577 CKKHRCOGADMPGT-UHFFFAOYSA-N 244.603 3.770 30 1 BHEF C=C1CC[C@H](O)C(=C)C=C[C@@H](C(C)C)CC1 2356455759 HHSHDKYRXLFJMS-GJZGRUSLSA-N 220.356 3.862 30 1 BHEF C=C1CC[C@H](C(C)C)[C@H]2C=C(C)[C@@H](O)C[C@H]12 28540942 JZVCCTGSDKAMAW-TUVASFSCSA-N 220.356 3.552 30 1 BHEF C=C1CC[C@](O)(C(C)C)[C@@H]2C[C@H](C)CC[C@@H]12 2356463666 IJLDWTQSNMIJKQ-BEAPCOKYSA-N 222.372 3.776 30 1 BHEF C=C1CCC[C@@]1(C)[C@@]1(C)CC=C(CO)CC1 15120124 SGASIZRGMDDXOM-LSDHHAIUSA-N 220.356 3.842 30 1 BHEF biogenic O=C1/C(=C\N=N\c2ccccc2)Nc2ccccc21 49785008 MMKAEOPIGSJKFO-WVTXTPTHSA-N 249.273 3.920 30 1 BHEF C=C1[C@@H]2C[C@@H]2[C@@]2(C)Cc3occ(C)c3C[C@]12C 2356565034 MVSRCZLPYQLXBW-DDUYRFODSA-N 228.335 3.905 30 1 BHEF C=C(C)[C@@H]1CC2=C(C)CCC[C@]2(C)[C@H](O)C1 15206939 IKGXPRLTFOMFQV-YUELXQCFSA-N 220.356 3.840 30 1 BHEF biogenic C=CCCCCC/C=C\CC#CC#C[C@@H](O)C=C 28537738 JRLHSTVTOOELAF-MQNTZWLQSA-N 242.362 3.623 30 1 BHEF biogenic C=C1[C@@H](O)C[C@]2(C)C[C@H]1[C@]1(C)CCC[C@]21C 238742273 DDWYCTLZQKRVQC-CAEXGNQWSA-N 220.356 3.530 30 1 BHEF C=C1C[C@H](O)[C@@H](C(C)C)[C@@H]2C=C(C)CC[C@H]12 238768954 UHPAOJOYWJZLCG-KBXIAJHMSA-N 220.356 3.552 30 1 BHEF CC1(C)CCC[C@]2(C)OC[C@H]3O[C@@]3(C)CC[C@@H]12 14855788 KDMDYZZDZDVDQD-NEBZKDRISA-N 238.371 3.539 30 1 BHEF Cc1c([C@@H](C)C#N)[nH]c2ccc(F)c(Cl)c12 587630288 INDBLGVQIYSEPP-LURJTMIESA-N 236.677 3.896 30 1 BHEF C=C(C)[C@@H]1CC=C2CC(=O)C[C@H](C)[C@@]2(C)C1 2356517157 ZCIAZFSKBUFPBI-YWPYICTPSA-N 218.340 3.904 30 1 BHEF C=CCO[C@@H](/C=C/c1ccccc1)CC 13828801 SGAZPFCDGVXRHM-PLSXKVAHSA-N 202.297 3.681 30 1 BHEF Oc1ccc(/N=C/C=C/c2ccccc2)cc1 17300158 VGRRMDJXZDBXNE-JAFAMXRVSA-N 223.275 3.808 30 1 BHEF CC1=CC[C@H]([C@@H](C)Cc2cc(C)co2)CC1=O 85995829 KGKQKGYHFBZNEI-STQMWFEESA-N 232.323 3.692 30 1 BHEF CCC(=O)C=CC=CC=CC1=NC(C)=CC=CC1 2356664064 GJJSCPWOVZDEHA-UHFFFAOYSA-N 241.334 3.939 30 1 BHEF CCCS/C(=N/c1ccc(Cl)cc1)NC 28122333 CLUFBPYOGJNDIS-UHFFFAOYSA-N 242.775 3.690 30 1 BHEF CCCCCCCCOCCCc1c[nH]cn1 43300181 SDGKKNBUAYSTLN-UHFFFAOYSA-N 238.375 3.719 30 1 BHEF CCCCCCCCc1ccc(O)c(O)c1O 64447876 KHDJXKNWFZQZHT-UHFFFAOYSA-N 238.327 3.706 30 1 BHEF C=C(C)[C@H]1CC[C@@]2(C)CCC=C(C(=O)OC)[C@H]2C1 85530694 IWKUFNFEQJRATO-JGGQBBKZSA-N 248.366 3.878 30 1 BHEF biogenic,in-vitro CC/C(=C\c1ccc(Cl)cc1)C(C)=O 653895732 ASLXLPONEPDCEG-DHZHZOJOSA-N 208.688 3.722 30 1 BHEF CC(=O)C1=CC=C(C2=CC=C(C3=CC=CC3)C2)C1 2356328866 KCIQTUQPBPPKJJ-UHFFFAOYSA-N 236.314 3.975 30 1 BHEF C=C(C)[C@@H]1CC[C@H](C)[C@@]2(O)CCC(C)=C[C@H]12 2356427143 PWEFVGUEHRMHKN-XQLPTFJDSA-N 220.356 3.696 30 1 BHEF C=C1CC[C@H]2C[C@H]1[C@@]2(C)CCC=C(C)C(=O)O 2356609226 SAMAJCLBXKAWIT-GUTXKFCHSA-N 234.339 3.790 30 1 BHEF C=C1C(=O)C[C@@H]2[C@@H]3[C@H]1[C@@]2(C)CCCC3(C)C 85997803 MIJOZYYZCMBCHF-ZRQNBYAXSA-N 218.340 3.594 30 1 BHEF C=C1C(=O)O[C@H]2CC(C)=CCCC(C)=CC[C@H]12 2356479057 BBMLTTOFEBDQIR-KGLIPLIRSA-N 232.323 3.551 30 1 BHEF C=C1CC[C@@]2(C)CC[C@@H](O)C(C)(C)[C@]23C[C@H]13 85998789 STQUAQUHGIVESS-RJZRQDKASA-N 220.356 3.530 30 1 BHEF O/N=C1\[C@@H]2CC=C(c3ccccc3)[C@H]1CCC2 104289385 DJWAKEWVSIKTCV-HPHYPMJBSA-N 227.307 3.720 30 1 BHEF CC=CC#CC#CC=CC=CC=CC(=O)CCC 2356424569 WBQZLMJFBVLJJV-UHFFFAOYSA-N 238.330 3.607 30 1 BHEF CCON/C=N/c1cc(Cl)c(C)c(Cl)c1 5859385 BSKRJTDEBYCDBO-UHFFFAOYSA-N 247.125 3.503 30 1 BHEF C=C1C(=O)C[C@H]2[C@@H]3CC[C@H](C)[C@]12CC3(C)C 5847967 JDGYVUJBJYXKSX-AVNXNWIJSA-N 218.340 3.594 30 1 BHEF C=C1CCC=C(C)CC[C@@H]2[C@@H]1C[C@]2(C)CO 13383830 DFMBJBXEHZSTJQ-RBSFLKMASA-N 220.356 3.698 30 1 BHEF biogenic C=C1CC[C@@H](C(C)C)[C@@H]2C[C@H](C)[C@H](O)C[C@@H]12 39170112 HMNKVQOCUYFAGU-YYFQZIEXSA-N 222.372 3.632 30 1 BHEF biogenic,in-vitro C=C(C)[C@@H]1C[C@]2(C)[C@@H](C)CCC[C@@H]2CC1=O 2356421739 SBYYGPVDZLNUAX-SFDCQRBFSA-N 220.356 3.984 30 1 BHEF C=C1CCC[C@@]2(C)CC[C@H](C(NC=O)=C(C)C)[C@@H]12 13374988 VNVRTDPAIPTZEL-LZWOXQAQSA-N 247.382 3.799 30 1 BHEF CC(=O)C=C(C)Nc1ccc(C(F)(F)F)cc1 2356422513 OHQWNQHHDXATNG-UHFFFAOYSA-N 243.228 3.610 30 1 BHEF C=C(C)[C@H]1CCC2=CC(=O)C[C@@H](C)[C@]2(C)C1 15200726 WTOYNNBCKUYIKC-XUJVJEKNSA-N 218.340 3.904 30 1 BHEF endogenous,in-vitro C=C(CO)[C@@H]1CC[C@]2(C)CCCC(C)=C2C1 15206953 ITRHZWKEZJYJQO-HIFRSBDPSA-N 220.356 3.842 30 1 BHEF biogenic C=CCCCCC[C@@H](O)/C=C/C#CC#CCCC 238760786 IKJUXVQXXGIWRC-FYPAKXHLSA-N 244.378 3.847 30 1 BHEF CC[C@H](C)CC(=O)c1coc2cc(C#N)ccc12 587278738 JZLYYHHXXFWQGB-JTQLQIEISA-N 241.290 3.923 30 1 BHEF CCC#CCCCCCCCC[C@H](F)C(=O)O 1649929 VOYDXDPCGKRZSZ-ZDUSSCGKSA-N 242.334 3.943 30 1 BHEF C=C[C@]1(C)CC[C@@H]([C@@H](C)c2ccc(C)o2)O1 13432716 RZQBBGYIEUNQIV-FPMFFAJLSA-N 220.312 3.815 30 1 BHEF biogenic C=C1CCC[C@]2(C)CC[C@H](C(C)C)[C@@H](NC=O)[C@H]12 6036039 URMSVRXRZNJMON-QKPAOTATSA-N 249.398 3.530 30 1 BHEF biogenic CCCCCCC[N+](C)(C)Cc1ccc[cH-]1 100441132 DFEODKPLLAXFAQ-UHFFFAOYSA-N 221.388 3.952 30 1 BHEF CC(=O)CCC(=CC1=C(C)CCC1=O)C(C)C 2356452404 OHMUFLMVZOSQEE-UHFFFAOYSA-N 234.339 3.617 30 1 BHEF C=C1CC[C@@H](C)C(C)(C)[C@@H]1C=CC(C)=O 2356534565 MVPDTCQYNRKWJA-DGCLKSJQSA-N 206.329 3.760 30 1 BHEF CC=CC#CC#CCC=CCCCCCC=O 2356573148 BDXVAPVXTZVJHO-UHFFFAOYSA-N 228.335 3.665 30 1 BHEF CC(C)=CC(=O)C=C(C)C=CCc1ccoc1 2356674487 JUFQPGYYOPLPOO-UHFFFAOYSA-N 230.307 3.860 30 1 BHEF C=C1Cc2occ(C)c2C[C@H]2C(=C)CC[C@H]12 15160978 IYXVWVHLIFWPEX-OLZOCXBDSA-N 214.308 3.825 30 1 BHEF biogenic C=C[C@H](O)C#CC#CC/C=C\C=C/CCCCC 15269923 WJFSPRQRDLHNOE-JBDKYTPXSA-N 242.362 3.623 30 1 BHEF C=C1CN2[C@H]3CC[C@@H]2[C@@H]1[C@@H](c1ccc(C)cc1)C3 39121405 BMNNHOAPHMYHIH-HZMVEIRTSA-N 239.362 3.501 30 1 BHEF N#Cc1c(-c2ccccc2)[nH]c2cccc(F)c12 141375358 WGXYIOYSYWUSKD-UHFFFAOYSA-N 236.249 3.846 30 1 BHEF C/C=C/C#CC#CC/C=C\CCCCCC=O 211687195 BDXVAPVXTZVJHO-ZKAKZSDCSA-N 228.335 3.665 30 1 BHEF C=C(C(=O)O)[C@@H]1CC=C(C)[C@H]2CC=C(C)[C@@H]2C1 238778627 CXLMGJLXOWRRSJ-MCIONIFRSA-N 232.323 3.566 30 1 BHEF C=C(C)[C@H]1C[C@@]2(C)C(=CC1=O)C=CC[C@@H]2C 33832116 LJZMUACYVPDSPJ-NJZAAPMLSA-N 216.324 3.680 30 1 BHEF biogenic,in-vitro CC(C)[C@@H]1CC[C@]2(C)C(=CC(=O)C[C@@H]2C)C1 98081921 NCHNAEUZABPVLT-ZOWXZIJZSA-N 220.356 3.984 30 1 BHEF C[C@@H]1CC[C@@H]2C[C@]3(C)O[C@@H]3CC(C)(C)C=C12 2356847947 PAZDNVMMYDTDQZ-CVMIBZJCSA-N 220.356 3.936 30 1 BHEF C=C(C)[C@@H]1C[C@H](O)[C@@]2(C)CCC=C(C)[C@H]2C1 38812947 IVRQVIHZMLFDBK-XGUBFFRZSA-N 220.356 3.696 30 1 BHEF biogenic,in-vitro C=CCC(C)(C)c1nc2ccc(F)c(F)c2[nH]1 587954346 PUAFPDLPBMQCRU-UHFFFAOYSA-N 236.265 3.695 30 1 BHEF CC1=CCCC(=O)C=C[C@@H]2[C@H](CC1)C2(C)C 2356735094 WCZCSOXIWRFHNZ-UONOGXRCSA-N 218.340 3.904 30 1 BHEF C=C(C)[C@H]1CC[C@]2(C)CCCC(C(=O)O)=C2C1 15206253 UPRJMZGSOCQFML-NHYWBVRUSA-N 234.339 3.934 30 1 BHEF biogenic C=CCCON(C(=O)OC(C)(C)C)C(C)(C)C 1858645 QTKITMITOUUYMZ-UHFFFAOYSA-N 243.347 3.530 30 1 BHEF C=C1CCC2=C(C)Cc3occ(C)c3C[C@H]12 15160976 SWKHLQBXHZYJOP-CYBMUJFWSA-N 214.308 3.969 30 1 BHEF biogenic C=C[C@@](C)(O)C[C@@H]1C=C(C)CC[C@@H]1C(=C)C 34627063 KPDSVTXZHWEKOQ-RRFJBIMHSA-N 220.356 3.862 30 1 BHEF N#Cc1ccccc1Oc1ccc(Cl)cc1O 96167324 HBMWIBPJWDRCHH-UHFFFAOYSA-N 245.665 3.710 30 1 BHEF C[C@H]1CC[C@H]2O[C@]23CC[C@H]2[C@@H](C2(C)C)[C@]13C 145296078 UYPPHUAQDGUVKN-UVGOUCATSA-N 220.356 3.626 30 1 BHEF N#Cc1ccc2c(C(=O)c3ccccc3)coc2c1 587279663 ZNMXLKUTUQYBLT-UHFFFAOYSA-N 247.253 3.535 30 1 BHEF C=N[C@]1([C@@H]2CC[C@]3(C)CCCC(=C)[C@@H]23)OC1(C)C 2356632988 WSLOWFIUNUZNEL-BFJAYTPKSA-N 247.382 3.965 30 1 BHEF CC(C)=C1C[C@@H]2[C@](C)(CC1=O)C[C@@H]1C[C@@]12C 2356733002 NLBIJGCDYLISQQ-RABLLNBGSA-N 218.340 3.738 30 1 BHEF C=C1C[C@](C)(C=O)CC[C@@H]2[C@H]1CC2(C)C 13377172 KHGAHZYLXXABTK-OUCADQQQSA-N 206.329 3.594 30 1 BHEF biogenic C[C@@H]1CC[C@@]2(C)[C@]3(C)O[C@@H]3[C@]3(C)CCC[C@@]132 238751589 IDMHLGOISSURSV-PEZGRIKUSA-N 220.356 3.770 30 1 BHEF C=C1CC[C@H](C)C(C)=C[C@@H]2[C@@H]1CC[C@]2(C)O 2356504306 LMBNOBPWWFAPHY-QOWREQOWSA-N 220.356 3.696 30 1 BHEF CC=CC=CC#CC=CC=CCCCC=O 2356738758 YRJCRFXFMYBQRP-UHFFFAOYSA-N 214.308 3.604 30 1 BHEF CC1=C2C[C@@H]3CC[C@@H](C)[C@@]2(CC1=O)C3(C)C 14637899 GIGKXOAUYMWORB-BPYAMOTFSA-N 218.340 3.738 30 1 BHEF in-vitro CO/N=C/c1ccc(-c2ccc(Cl)cc2)o1 26983878 WQQRJAUDBUUZEA-RIYZIHGNSA-N 235.670 3.580 30 1 BHEF C=C(C)[C@@H]1C[C@H](O)C2=CCC[C@H](C)[C@@]2(C)C1 59778421 DPDBSHAVHRQWMU-MYZSUADSSA-N 220.356 3.696 30 1 BHEF C=C1CCC[C@@]2(C)CC[C@@H](C(C)C)[C@H](NC=O)[C@@H]12 140304646 URMSVRXRZNJMON-FZKCQIBNSA-N 249.398 3.530 30 1 BHEF C=C1CC[C@H](C)C(C)=C[C@@H]2[C@H]1CC[C@]2(C)O 2356504305 LMBNOBPWWFAPHY-HPEDKQMDSA-N 220.356 3.696 30 1 BHEF C=C1C(=O)C[C@@H]2[C@H](CC2(C)C)C(=C)CC[C@@H]1OC 14445367 FPMOKOLGTNWUOB-NFAWXSAZSA-N 248.366 3.529 30 1 BHEF biogenic C=C(C)[C@@H]1CC2=C(CC[C@H]2C)[C@H](C)C[C@@H]1O 238738260 BRFKQPRYMGBIFJ-ZSEWYUTFSA-N 220.356 3.696 30 1 BHEF C=C(C(=O)OC)[C@@H]1CC=C2CCC[C@@H](C)[C@]2(C)C1 2356737018 KMBKGQRONXQUPB-KFNAQCHYSA-N 248.366 3.878 30 1 BHEF CC1=CC(=O)[C@H]2C[C@@]13C[C@@H](C(C)C)CC[C@@]23C 2356329653 JIVNCYKRHXSPEU-XRGAULLZSA-N 232.367 3.984 30 1 BHEF CC1=CC(=O)[C@H]2[C@H]3[C@@H]1[C@]2(C)CCCC3(C)C 33952502 KTPOZFYJWLGJGH-COMQUAJESA-N 218.340 3.594 30 1 BHEF in-man C=C1C(=O)O[C@@H]2/C=C(\C)CC/C=C(\C)CC[C@H]12 103589364 HRYLQFBHBWLLLL-QJAKHLMASA-N 232.323 3.551 30 1 BHEF in-vivo C[C@@H]1CCC[C@]23O[C@@H]2C[C@@H]2[C@@H](C2(C)C)[C@]13C 2356331288 WDIRTEJWYGLLSB-ACBLYQCWSA-N 220.356 3.626 30 1 BHEF CC(C)=C1C[C@@H]2[C@H](C1=O)[C@]1(C)CCC[C@]21C 2356508227 DCYUAVNAQVATAZ-GBOPCIDUSA-N 218.340 3.738 30 1 BHEF C=CC(C)(C)CC(=O)/C=C(\O)c1ccccc1 238749427 IQKXBAOWMSFUSS-UVTDQMKNSA-N 230.307 3.757 30 1 BHEF C=C1/C=C/[C@H](C(C)C)C/C=C(\C)CC[C@@H]1O 523042018 BWBBFQXPSPCQPX-VPQCAZDASA-N 220.356 3.862 30 1 BHEF biogenic CC(=O)CC[C@@H]1CCC(=C(C)C)C(=O)C=C1C 14884880 XXFPSLVWNRANRW-CYBMUJFWSA-N 234.339 3.617 30 1 BHEF biogenic Oc1ccc(F)cc1/C=N/c1ccc(Cl)cc1 64479775 NGRMDAGVXIROSG-LZYBPNLTSA-N 249.672 3.935 30 1 BHEF C=C(C)[C@@H]1CCCC2=C3[C@H](C[C@H](C)[C@H]3C1)OC2=O 2356352819 CARIPAAQQKWUCB-UNJBNNCHSA-N 246.350 3.631 30 1 BHEF C=CCCCCC=CCC#CC#CC#CC 2356429894 KXCLVXGRTBKQDF-UHFFFAOYSA-N 210.320 3.709 30 1 BHEF C[C@@H]1C=CC2=CC(=O)C[C@]2(C)[C@H]2CCCC[C@H]12 2356581304 REPSZHDKTARSEN-FWYOQMDTSA-N 230.351 3.904 30 1 BHEF C=CCCCCC/C=C/CC#CC#C[C@@H](O)C=C 1858773 JRLHSTVTOOELAF-DVQDXYAYSA-N 242.362 3.623 30 1 BHEF CC1=C[C@]2(C)CCCC(C)(C)[C@@H]2CC1=O 14614794 FXFDPILDESFQAO-JSGCOSHPSA-N 206.329 3.738 30 1 BHEF biogenic C=C1[C@H]2CC[C@@H](C2)[C@@]1(C)CC/C=C(/C)C(=O)O 100783245 PMCPDNGTLRPFQQ-HEUWPFIFSA-N 234.339 3.790 30 1 BHEF endogenous,in-man C=C1C=CC[C@]2(C)CC[C@@H](C(C)(C)O)C[C@H]12 2356634669 LCAVWJONSITSBE-UMVBOHGHSA-N 220.356 3.696 30 1 BHEF CC1(C)CC(O)=C/C(=N\Cc2ccccc2)C1 102192204 IUSQCFHSKPVVJX-DTQAZKPQSA-N 229.323 3.890 30 1 BHEF CCCCCCCC(=O)CCSC(C)=O 238769699 GWCVAHFMCPCAMA-UHFFFAOYSA-N 230.373 3.586 30 1 BHEF CC[C@H](C)c1[nH]c2cccc(F)c2c1C#N 587634782 FBUKFMZKJLOXPV-QMMMGPOBSA-N 216.259 3.692 30 1 BHEF CC1=CC[C@]2([C@H](C)CC[C@H]3OC3(C)C)C[C@@H]12 2356606334 MAJHBVOOMZYAJX-QVHKTLOISA-N 220.356 3.936 30 1 BHEF C=C(CCCC(C)C)c1ccc(C(=O)O)cc1O 238735569 ADTCKTBSGPXMDB-UHFFFAOYSA-N 248.322 3.930 30 1 BHEF CC1=CC(=O)[C@@H](C(C)C)CC[C@@H](C)C(=O)CC1 2356509652 XAGZDWNJBFVXAE-CHWSQXEVSA-N 236.355 3.553 30 1 BHEF Cc1ccccc1Sc1cccc(N)c1C#N 5931405 MYAVGTHDTCNUCG-UHFFFAOYSA-N 240.331 3.600 30 1 BHEF C=C(C)[C@H]1CC=C(CCOC(=O)CC)CC1 29042714 FHCSIKMFBWKCRC-ZDUSSCGKSA-N 222.328 3.632 30 1 BHEF CC1=C2C(=O)C[C@H](C)[C@]23CC[C@H](C3)C1(C)C 100302487 SHUZZAXJEJPUGA-ZVWUFJHRSA-N 218.340 3.738 30 1 BHEF in-vitro N#Cc1ccc2c(C(=O)C3CCCC3)coc2c1 587277709 DCRWVMRYIBPSLM-UHFFFAOYSA-N 239.274 3.677 30 1 BHEF C=C(C)C=C[C@H]1C(C)(C)CCC[C@]12CO2 2356461473 HQWBEAAZOBOEBO-JSGCOSHPSA-N 206.329 3.714 30 1 BHEF C=C(C)[C@]1(O)CC[C@H](C)[C@@H]2CCC(C)=C[C@H]21 2356615383 CUVJTROTJRHROZ-BYNSBNAKSA-N 220.356 3.696 30 1 BHEF C=CC[C@@H](NC1CCCCC1)c1ccco1 17143648 CABMLUDEVRDOKI-CYBMUJFWSA-N 219.328 3.819 30 1 BHEF N#Cc1cccc2nc(C3(F)CCCCC3)[nH]c12 587132473 QRXWCZLDMGGHEK-UHFFFAOYSA-N 243.285 3.563 30 1 BHEF C/C1=C/CC[C@H](C=O)[C@H]2CC(C)(C)[C@@H]2CC1 13383867 VLWNRFXSKLVVEB-PUHLDHRLSA-N 220.356 3.984 30 1 BHEF endogenous,in-man C=C1[C@H](O)C[C@@H](C(C)C)[C@@]12CC=C(C)CC2 14413184 NROQFHKUAQVZGM-RRFJBIMHSA-N 220.356 3.696 30 1 BHEF biogenic C=C(C)[C@@H]1C[C@@H]2C(C)=CCC[C@@]2(C)CC1=O 15207411 YBACAHADKJZXPH-GUTXKFCHSA-N 218.340 3.904 30 1 BHEF biogenic,in-vitro C=C1O[C@H](O)C=C1CC[C@@H]1C(=C)C=CCC1(C)C 2356807317 WGEYPQJERFBBPB-CABCVRRESA-N 246.350 3.714 30 1 BHEF C=C1CC[C@H]2O[C@]2(C)CC[C@H]2[C@@H]1CC2(C)C 12153229 NVEQFIOZRFFVFW-QVHKTLOISA-N 220.356 3.936 30 1 BHEF biogenic,in-vitro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c1coc2ccccc12 587280443 FKEAUJZBGDBXAJ-UHFFFAOYSA-N 226.275 3.665 30 1 BHEF Cc1c(C)n(CCC#N)c2ccc(Cl)cc12 5798676 LSWDRAAFBNGBFQ-UHFFFAOYSA-N 232.714 3.825 30 3 BHEF C=C[C@](C)(CC[C@@H](O)C(=C)C)c1ccc(O)cc1 14714505 JIROVCDWAHREJH-HZPDHXFCSA-N 246.350 3.553 30 1 BHEF biogenic C=C(C)[C@@H]1CC(=O)c2cc(Cl)ccc2S1 40835117 YRYAOZIIMQAREJ-LBPRGKRZSA-N 238.739 3.963 30 1 BHEF C=C[C@]1(C)CC/C=C(/C)CC[C@H](C(C)(C)O)O1 49792904 LWYUSWLRBKNRLB-MKGJVGOLSA-N 238.371 3.608 30 1 BHEF C=C1CCC[C@]2(C)CC[C@H](C(C)C)[C@@H](O)[C@H]12 231210497 MSJJKJCIFIGTJY-LXTVHRRPSA-N 222.372 3.776 30 1 BHEF endogenous,in-man C=C1CCC[C@H](C(C)C)[C@H]2C(=C)[C@@H](O)C[C@@H]12 238782503 HJTLHPGMPPWULO-CBBWQLFWSA-N 220.356 3.552 30 1 BHEF CC1(C)c2occc2C[C@@H]2C=C(CS)CC[C@@H]21 2356652137 PZPGYUDHVYOLGK-STQMWFEESA-N 248.391 3.996 30 1 BHEF C=C[C@]1(C)CCC(=O)[C@@](C)(CCC=C(C)C)O1 15160372 IPMAESOGOSAYQW-HUUCEWRRSA-N 236.355 3.816 30 1 BHEF biogenic C=C(C)[C@@H]1CCC[C@]2(C)CCC[C@@](C)(O)[C@@H]12 15263072 GWQUKIFNLZSKBV-BYNSBNAKSA-N 222.372 3.920 30 1 BHEF biogenic C=C1CN2[C@H]3CC[C@@H]2C[C@H](c2ccc(C)cc2)[C@H]13 100846472 BMNNHOAPHMYHIH-NCOADZHNSA-N 239.362 3.501 30 1 BHEF CC(C)(C)CC(=O)c1coc2cc(C#N)ccc12 587278804 LIBLMWANOSBNOB-UHFFFAOYSA-N 241.290 3.923 30 1 BHEF CC[C@H](C)c1ccc2[nH]c(C)c(C#N)c2c1 587640536 FIOMEPROLMOELW-VIFPVBQESA-N 212.296 3.862 30 1 BHEF C[C@@H]1CCC=C2C(=O)C[C@@H]3[C@@H](C3(C)C)[C@]21C 14856073 AMWACJANOINTHG-RNKJKDHYSA-N 218.340 3.594 30 1 BHEF biogenic,in-vitro C=C1CCC[C@]2(C)CC[C@H]([C@H](NC=O)C(C)C)[C@H]12 14858427 SEAGBPMCOQAENU-CAOSSQGBSA-N 249.398 3.530 30 1 BHEF biogenic C=C(C)[C@H]1CC[C@]2(C)CC[C@H](O)C(=C)[C@@H]2C1 85757172 CZFHAODYOVXPIQ-ZQDZILKHSA-N 220.356 3.696 30 1 BHEF in-man O=C(/C=C/c1ccc(Cl)cc1)c1occc1O 103199164 YEUZJXLYFZTYOJ-ZZXKWVIFSA-N 248.665 3.535 30 1 BHEF O=N[C@@H](c1ccccc1)[C@H]1O[C@@H]1c1ccccc1 169705209 OMGAPFGTLVUQBM-RRFJBIMHSA-N 239.274 3.634 30 1 BHEF C=C[C@@]1(C)CC/C=C(\C)CC[C@H](C(C)(C)O)O1 195385591 LWYUSWLRBKNRLB-CSPHYMHISA-N 238.371 3.608 30 1 BHEF CC(=O)/C=C/C=C1/[C@@H]2CC[C@@H](C2)C1(C)C 1481989 WDMFHQNUSVLQMS-WSTBQAIOSA-N 204.313 3.514 30 1 BHEF in-man C=CCc1ccc(OC(=O)c2ccccc2)cc1 1764678 PJUDEPFOHLENKM-UHFFFAOYSA-N 238.286 3.634 30 1 BHEF C=C[C@]1(C)CC[C@@H]([C@@H](C)C(=O)CC=C(C)C)O1 15163628 FJKKZNIYYVEYOL-AEGPPILISA-N 236.355 3.672 30 1 BHEF endogenous,in-man CCCCCCCC(=O)c1c(O)cccc1O 144783460 SXJJVNCFPXBQMK-UHFFFAOYSA-N 236.311 3.641 30 1 BHEF N#Cc1c(C2CCCC2)[nH]c2cccc(F)c12 587636055 YPMIYIXOQYBBBV-UHFFFAOYSA-N 228.270 3.836 30 1 BHEF C=C(C)[C@@H]1CC[C@](C)(O)[C@@H]2CCC(C)=C[C@H]12 2356718199 NRNOOMCOYPENIN-YJNKXOJESA-N 220.356 3.696 30 1 BHEF N#Cc1c(C2CC2)[nH]c2cc(Cl)c(F)cc12 587631240 YOWNGSAYOMHIDA-UHFFFAOYSA-N 234.661 3.709 30 1 BHEF C=C(C)[C@@H]1CC[C@]2(C=C(C)[C@@H](O)C[C@H]2C)C1 2356465206 KEJDOISIOSPWEF-KBXIAJHMSA-N 220.356 3.696 30 1 BHEF C=C1CCC[C@@](C)(C(=O)O)[C@@H]1CCc1ccoc1 1857576117 YVAMNJAWJAORRC-UKRRQHHQSA-N 248.322 3.659 30 1 BHEF C=C1CCC=C(COC)C(=O)C[C@@H]2[C@H]1CC2(C)C 2356419126 HTWOQGPDBJPHIA-UONOGXRCSA-N 248.366 3.531 30 1 BHEF N#Cc1c(-c2ccco2)cc(C2CC2)[nH]c1=S 67452 BIHZJPZRWGGQBP-UHFFFAOYSA-N 242.303 3.753 30 1 BHEF CCCCCC[C@@H](/C=N/O)[C@@](C)(O)CCC 17196040 FWDMPPJLAFGVPE-UBZWLNIWSA-N 229.364 3.584 30 1 BHEF CCCCC#CCCCC#CCCCCO 103204447 DUHWPSBXJXGYST-UHFFFAOYSA-N 220.356 3.516 30 1 BHEF C=C1CC[C@H](C(C)C)[C@@]12CC=C(CO)CC2 13307454 KRFRPUONKQFTDH-HUUCEWRRSA-N 220.356 3.698 30 1 BHEF biogenic C=C1CC[C@H]2C(=C)Cc3occ(C)c3C[C@H]12 15160979 IYXVWVHLIFWPEX-QWHCGFSZSA-N 214.308 3.825 30 1 BHEF biogenic C=C(C)[C@@H]1CC[C@@](C)(O)C2=CC[C@H](C)[C@@H]2C1 34542327 FUYXRMXBYTXILX-SFDCQRBFSA-N 220.356 3.696 30 1 BHEF biogenic,in-vitro Cc1cc2nc(C#Cc3ccccc3)[nH]c2cc1C 587953550 LXOUGLHEWGMOCR-UHFFFAOYSA-N 246.313 3.580 30 1 BHEF C=C[C@]1(C)C(=O)c2occ(C)c2C[C@@H]1C(=C)C 13370418 RMLGJWOUYGEILN-DOMZBBRYSA-N 230.307 3.711 30 1 BHEF biogenic C=C(C(=O)O)[C@@H]1CC=C(C)[C@@H]2CC=C(C)[C@H]2C1 2356651141 CXLMGJLXOWRRSJ-HZSPNIEDSA-N 232.323 3.566 30 1 BHEF C=C1CC/C=C(/CO)CC[C@H]2[C@@H]1CC2(C)C 13383772 MGIQTXDHQJGPEZ-BDPFXEMMSA-N 220.356 3.698 30 1 BHEF endogenous,in-man CC[C@@H](C)/C=C/C=C/C=C\C(O)=C/C(C)=O 100308097 MREIRTWZXYCJLD-QERQVEFSSA-N 220.312 3.732 30 1 BHEF in-vitro C/C=C\C=C\C#C/C=C/C=C\CCCC=O 238776712 YRJCRFXFMYBQRP-LJBMXJFDSA-N 214.308 3.604 30 1 BHEF C=C1CCCC(C)(C)[C@@H]1C=CC(=O)CC 2356285877 VBPVRSYPVFNWFV-CYBMUJFWSA-N 206.329 3.904 30 1 BHEF C[C@@H]1CC[C@]23O[C@]2(C)CC[C@@H]2[C@H]([C@@H]13)C2(C)C 2356444233 OZNHATCGPKOFBH-XZSFVTMWSA-N 220.356 3.626 30 1 BHEF C=C1CC[C@@H](C(C)C)C2=C[C@@](C)(O)CC[C@H]12 13381288 MQUAYICQWWZUAY-GUTXKFCHSA-N 220.356 3.696 30 1 BHEF C=C1CC[C@@H](O)/C(C)=C\C[C@@H]2[C@@H]1CC2(C)C 33952448 DWUYGFWOANEJRE-PUHLDHRLSA-N 220.356 3.696 30 1 BHEF C=C1[C@H]2CC[C@H]([C@@H]2OC)[C@]1(C)C1CCCC1 85546669 MRWBLGJMKSZDFI-TUVASFSCSA-N 220.356 3.794 30 1 BHEF biogenic,in-vitro C=C(C)[C@@H]1CC=C2CC[C@@H](O)[C@@H](C)[C@@]2(C)C1 95636363 TWGYXCCDWSORFO-QHSBEEBCSA-N 220.356 3.696 30 1 BHEF in-vitro C=C1C(=O)C[C@@H]2[C@@H]1CC[C@@]1(C)CCCC(=C)[C@H]21 2356475095 OINFTKHXNVCYLH-RRCSTGOVSA-N 230.351 3.904 30 1 BHEF C=CCCCCC[C@@H](O)C=CC#CC#CC=CC 2356564806 DDWUABWPXPSLAB-QGZVFWFLSA-N 242.362 3.623 30 1 BHEF CC1(C)C[C@@]23CC[C@H]1[C@]2(C)CC[C@@H]1O[C@@]13C 2356329900 BXKXWMWZABIJFN-GCPZOVCVSA-N 220.356 3.770 30 1 BHEF C[C@@H]1CCC=C2CC[C@@H]3[C@@H]([C@@]3(C)C=O)[C@]21C 14856000 IQBWPZYQOFAABM-IKSZGEOFSA-N 218.340 3.594 30 1 BHEF biogenic,in-vitro C=C(C)[C@@H]1CCC(=C)[C@@H]2C[C@H](O)[C@@H](C)C[C@@H]12 34482447 UKBHXNAMSQAJDR-YTFOTSKYSA-N 220.356 3.552 30 1 BHEF biogenic,in-vitro CCc1c[nH]c(CC)c1Oc1ccc(C#N)cc1 49112168 XXYHXMUPGLKKGE-UHFFFAOYSA-N 240.306 3.803 30 1 BHEF in-vivo C/C1=C\CC[C@H](C=O)[C@H]2CC(C)(C)[C@@H]2CC1 238771822 VLWNRFXSKLVVEB-ZHBPPSIXSA-N 220.356 3.984 30 1 BHEF C/C=C/C=C/C#C/C=C\C=C/CCCC=O 221227502 YRJCRFXFMYBQRP-JQURPYADSA-N 214.308 3.604 30 1 BHEF ON=CC1=C(C=Cc2ccccc2)CCC1 2356312053 SYSREYZVEZEVNA-UHFFFAOYSA-N 213.280 3.640 30 1 BHEF C=C1C=C[C@H](C(=C)C)CCC(=C)[C@H](O)CC1 2356385789 ZUGVZVDNBZYDHU-LSDHHAIUSA-N 218.340 3.782 30 1 BHEF C[C@H]1CC(=O)C=C(Nc2cccc(Cl)c2)C1 38254956 OLBQAOCLHNMLKM-SECBINFHSA-N 235.714 3.635 30 1 BHEF C=CCN[C@@H]1C(c2ccccc2)=C[C@@H]2CC[C@@H]1C2 100949587 NCYMZGFOAAWUDD-UNEWFSDZSA-N 239.362 3.644 30 1 BHEF Cc1nc(C#Cc2cccc(Cl)c2)cs1 13680882 ORFSHDWOPQJKQL-UHFFFAOYSA-N 233.723 3.505 30 1 BHEF in-vivo C=C[C@]1(C)[C@@H](O)CC(C(C)C)=C[C@@H]1C(=C)C 15150124 VSSMKKGCUJTXDI-ILXRZTDVSA-N 220.356 3.718 30 1 BHEF biogenic CCCCCCC/C=C/C(=O)NCC(C)C 85947826 BBZPUGFXXAPEJY-ZHACJKMWSA-N 225.376 3.675 30 1 BHEF C=C1C(=O)C[C@@H]2C[C@]3(C)CCC[C@@H](C)C3=C[C@H]12 2356357591 SSGVLPCHTCCBBE-VSBTWAGUSA-N 230.351 3.904 30 1 BHEF C=C(C)[C@@H]1CC[C@@H](C)[C@]12CC(=C(C)C)C(=O)O2 13412547 KHOTZHZBHNDKOB-OSAQELSMSA-N 234.339 3.631 30 1 BHEF endogenous,in-man C=C(C)[C@H]1CC[C@]2(C)CC(=O)[C@H](C)CC[C@H]12 238745477 YIYTUCKPVQWDEN-RGCMKSIDSA-N 220.356 3.984 30 1 BHEF CCC(=O)C=C[C@H]1[C@H](C)C=CCC1(C)C 2356691871 ZQJCPDKTEXSWTH-YPMHNXCESA-N 206.329 3.760 30 1 BHEF C=C(C)[C@@H]1CC[C@@](C)(O)[C@H]2CC[C@H](C)[C@H]2C1 33833353 VYOZKWKETGHHDW-VYDRJRHOSA-N 222.372 3.776 30 1 BHEF endogenous,in-man C=C(C(=O)O)[C@H]1CCC2=CCC[C@H](C)[C@@]2(C)C1 238760222 IOHUKXKGHJOVIW-ITDIGPHOSA-N 234.339 3.790 30 1 BHEF C=CCCCCCC=C[C@@H](O)C#CC#CC=CC 2356506411 BVVCAUWTOOENBU-KRWDZBQOSA-N 242.362 3.623 30 1 BHEF C=C1C(=O)C[C@@H](C(C)C)[C@@]12CC=C(C)CC2 13307493 XDBOEVDBTVZZRP-DZGCQCFKSA-N 218.340 3.904 30 1 BHEF biogenic C=C1CCC[C@]2(C)CC[C@@](O)(C(C)C)C[C@@H]12 15209551 CAROBQKXUGHYBD-ZNMIVQPWSA-N 222.372 3.920 30 1 BHEF biogenic C=C1CC[C@@H](C(C)C)[C@@H]2C[C@@H](C)[C@H](O)C[C@@H]12 34521216 HMNKVQOCUYFAGU-CAEXGNQWSA-N 222.372 3.632 30 1 BHEF biogenic,in-vitro C=C1CCC[C@]2(C)C(=O)C[C@@H](C(C)C)C[C@@H]12 85758654 JJDGXLAXBVYTMO-YDHLFZDLSA-N 220.356 3.984 30 1 BHEF CC[C@@H](C)c1ccc2[nH]c(C)c(C#N)c2c1 587640534 FIOMEPROLMOELW-SECBINFHSA-N 212.296 3.862 30 1 BHEF C=C(C)[C@@H]1CCC(C)=CCCC2=C[C@@H]1OC2=O 1857605261 FGWWKPRDQNGBKN-KBPBESRZSA-N 232.323 3.551 30 1 BHEF C=C(C)[C@H](O)/C=C/c1ccc(C(F)(F)F)cc1 8860543 BSAKFIBWNHXYCK-FZKGZDJFSA-N 242.240 3.656 30 1 BHEF C=C[C@@](C)(O)CC[C@H]1C(=C)[C@H](C)CC=C1C 13431168 UAQRXAWGZKFMDP-KCPJHIHWSA-N 220.356 3.862 30 1 BHEF CC1=C2[C@@H](CC1=O)[C@@H](C)CC[C@H]1[C@@H]2C1(C)C 14856560 ZEEUIOBUKGZKPS-AEHQLWAISA-N 218.340 3.594 30 1 BHEF Cc1ccc(/[N+]([O-])=C/c2ccccc2)cc1C 39076426 YTDCDJADXSLTFG-WJDWOHSUSA-N 225.291 3.564 30 1 BHEF C=C1CC[C@H]2O[C@H]1[C@@H]1[C@H](C(C)C)CC[C@]21C 257386306 BITBXAWCPCNKKN-XPABHHOTSA-N 220.356 3.792 30 1 BHEF endogenous,in-man CCC(=Nc1ccccc1)C1=C(O)CCCC1=O 1779851171 ZOPROORFJLLJCC-UHFFFAOYSA-N 243.306 3.734 30 1 BHEF C=C[C@@](C)(O)CCC=C(C)C(=O)CC=C(C)C 2356709044 MUORSVLFTLIZJO-OAHLLOKOSA-N 236.355 3.575 30 1 BHEF C=C[C@]1(C)CC[C@H]([C@](C)(O)CCC=C(C)C)O1 15160364 OIVTVPOJCWXSIC-RBSFLKMASA-N 238.371 3.608 30 1 BHEF biogenic C=C1[C@H]2CC[C@](C=O)(C2)[C@]1(C)C1CCCC1 85546698 IMYOTFHEEDHDJO-AEGPPILISA-N 218.340 3.738 30 1 BHEF biogenic,in-vitro C=C[C@@](C)(CC[C@@H](O)C(=C)C)c1ccc(O)cc1 14714508 JIROVCDWAHREJH-CVEARBPZSA-N 246.350 3.553 30 1 BHEF biogenic C/C=C\C#CC#CC/C=C/CCCCCC=O 15273957 BDXVAPVXTZVJHO-TWCXWQTESA-N 228.335 3.665 30 1 BHEF C=C1[C@@H](O)CC[C@@]2(C)CC[C@@H](C(=C)C)C[C@H]12 38997605 CZFHAODYOVXPIQ-APIJFGDWSA-N 220.356 3.696 30 1 BHEF endogenous,in-man C=C1C[C@H](O)[C@H](C(C)C)[C@@H]2C=C(C)CC[C@@H]12 13381242 UHPAOJOYWJZLCG-LJISPDSOSA-N 220.356 3.552 30 1 BHEF biogenic C/C1=C/CC[C@H](C=O)[C@@H]2CC(C)(C)[C@@H]2CC1 13383865 VLWNRFXSKLVVEB-VAVFBHOTSA-N 220.356 3.984 30 1 BHEF endogenous,in-man C=C1CC/C=C\[C@@H](C)C(=O)[C@@H]2[C@@H]1CC2(C)C 238766364 QGLAKZJZPXRQJR-ICEHCVKZSA-N 218.340 3.760 30 1 BHEF C=C(C)[C@H]1CC[C@@]2(C)C=C(O)C(=O)C(C)=C2C1 2356480387 ANBQZRWVQGYZGU-NHYWBVRUSA-N 232.323 3.710 30 1 BHEF C=C1C[C@H](O)C=C(C)CC[C@H]2[C@@H]1CC2(C)C 2356710424 DJGZASXOWNHOFE-MCIONIFRSA-N 220.356 3.696 30 1 BHEF ON=C1[C@H]2CC=C(c3ccccc3)[C@H]1CCC2 254044301 DJWAKEWVSIKTCV-TZMCWYRMSA-N 227.307 3.720 30 3 BHEF C=C(C)[C@@H]1C[C@@H]2C(=C)CCC[C@@]2(C)CC1=O 238782676 GSXMCVNFYXRBNW-GUTXKFCHSA-N 218.340 3.904 30 1 BHEF CC(C)=C1C[C@@H]2[C@H](C1=O)[C@]1(C)CCC[C@@]21C 2356508231 DCYUAVNAQVATAZ-UXOAXIEHSA-N 218.340 3.738 30 1 BHEF C[C@H]1C(=O)C=C2[C@H]1CC(C)(C)C[C@H]1C[C@@]21C 34181528 NJTKXUKZKQTHNI-DZHLUBAWSA-N 218.340 3.594 30 1 BHEF N#Cc1ccc2c(c1)Sc1ccccc1O2 13606042 SEQQECSHITUZQZ-UHFFFAOYSA-N 225.272 3.815 30 1 BHEF C=C(C)[C@@H]1C=C2[C@](C)(O)CCC[C@]2(C)CC1 15207220 NZGMCTHRDPVWIP-NWANDNLSSA-N 220.356 3.840 30 1 BHEF biogenic C=C(CO)[C@@H]1CC[C@H]2CCC[C@H](C)[C@@]2(C)C1 33952420 YFKUAXRWMHKXSN-GBJTYRQASA-N 222.372 3.778 30 1 BHEF C=C1CC/C=C(\CO)CC[C@H]2[C@H]1CC2(C)C 5762440 MGIQTXDHQJGPEZ-MJMIMOCRSA-N 220.356 3.698 30 1 BHEF biogenic,in-vitro O/N=C1/[C@H]2CC=C(c3ccccc3)[C@H]1CCC2 104289374 DJWAKEWVSIKTCV-NEXNNHMCSA-N 227.307 3.720 30 1 BHEF COc1ccc2cc(CC/C(C)=N\O)ccc2c1 169333134 OJRWGQXBZXMJQI-WJDWOHSUSA-N 243.306 3.631 30 1 BHEF C=C1CCC[C@@]2(C)CC[C@](O)(C(C)C)C[C@H]12 95911421 CAROBQKXUGHYBD-QLFBSQMISA-N 222.372 3.920 30 1 BHEF biogenic,in-vitro C=CCn1ccc2c3cc(Cl)ccc3nc-2c1 377816335 YAGPMGGUUWODRM-UHFFFAOYSA-N 242.709 3.981 30 1 BHEF C=CCCCCC/C=C\CC#CC#C[C@@H](O)CC 238783023 JAMBSETYMWNZBT-MQNTZWLQSA-N 244.378 3.847 30 1 BHEF C=C1CCC[C@]2(C)CC[C@H](C(C)C)[C@@H](NC=O)[C@@H]12 14559203 URMSVRXRZNJMON-KLHDSHLOSA-N 249.398 3.530 30 1 BHEF biogenic C=C1C=CC[C@]2(C)CC[C@@H](C(=C)C(=O)O)C[C@H]12 15207980 NVSFCZAJDYRQHL-UMVBOHGHSA-N 232.323 3.566 30 1 BHEF biogenic C=CCc1cc(-c2ccc(F)cc2)ccc1O 72114948 LHEDCLWSEXBYKR-UHFFFAOYSA-N 228.266 3.927 30 1 BHEF C=C[C@@]1(C)CCC=C(C)CC[C@H](C(C)(C)O)O1 253779074 LWYUSWLRBKNRLB-HIFRSBDPSA-N 238.371 3.608 30 1 BHEF C=C1c2ccoc2[C@H]2O[C@H]3C[C@H](C)[C@@]2(C)[C@@]13C 2356584350 BZLUBAWCHRXHLR-FQWSUXQDSA-N 230.307 3.799 30 1 BHEF C=CC#Cc1ccc(-c2ccc(C=O)s2)s1 13380420 NUZKTOUVRQIOKG-UHFFFAOYSA-N 244.340 3.827 30 1 BHEF biogenic C=C1CC[C@H](C(C)C)C[C@@H]2C(C)=CC[C@@]12O 2356717836 FUIREXPFHXOXGQ-RRFJBIMHSA-N 220.356 3.696 30 1 BHEF CCC(=O)CC[C@@]1(C)C(C)=CC(=O)CC1(C)C 238756744 CTDWGJUTLVEBAH-HNNXBMFYSA-N 236.355 3.697 30 1 BHEF C=C1[C@@H]2CC(C)(C)[C@@H]2CCC(C)=C[C@H]2O[C@H]12 2356672837 ZNEXISBKZUKEQK-REWJHTLYSA-N 218.340 3.712 30 1 BHEF C=C1C2=CC(C)(C)C[C@H]2[C@@H](C)CC[C@@H]1CO 14769086 NETRDFQDGLCLGK-UHTWSYAYSA-N 220.356 3.554 30 1 BHEF CCCCCCCC(=O)c1nc2ncccc2o1 34803700 HTWHWGPGIJSJQP-UHFFFAOYSA-N 246.310 3.766 30 1 BHEF in-vivo C/C1=C\c2cc(C)c(O)cc2[C@@H](C)CCC1=O 213336560 JICTVEXLDFIFAX-CMWXKVOJSA-N 230.307 3.570 30 1 BHEF CC1=CCC[C@@H](C)C(=O)CC(=C(C)C)C(=O)C1 263639213 ZYPUZCWWTYIGFV-GFCCVEGCSA-N 234.339 3.617 30 1 BHEF C#Cc1cccc(-c2nc3cc(C)cc(C)c3[nH]2)c1 586879964 LVYBNXNIQFBURS-UHFFFAOYSA-N 246.313 3.828 30 1 BHEF C=C(C)[C@@H]1CC[C@]2(C=C(C)[C@H](O)C[C@@H]2C)C1 2356465209 KEJDOISIOSPWEF-YJNKXOJESA-N 220.356 3.696 30 1 BHEF C=C1C=C[C@H](C(=C)C)CCC(=C)C(=O)CC1 2356493479 USAJSSQYNUIUHJ-AWEZNQCLSA-N 216.324 3.990 30 1 BHEF C=C[C@@H](O)C#CC#CCC=CC=CCCCCC 2356586361 WJFSPRQRDLHNOE-QGZVFWFLSA-N 242.362 3.623 30 1 BHEF CC(C)[C@@H]1CC[C@@]2(C)C=CC(=O)C=C2C1 98081923 HXHXQZRSEHKYEM-RISCZKNCSA-N 204.313 3.514 30 1 BHEF C=C1C=C[C@H](C(=C)C)CCC(=C)[C@@H](O)CC1 2356385787 ZUGVZVDNBZYDHU-GJZGRUSLSA-N 218.340 3.782 30 1 BHEF CC(C)=C1C=CC2=CC(=O)C[C@@H](C)[C@@]2(C)C1 2356599328 UVFKNVNRLTXQTO-IAQYHMDHSA-N 216.324 3.824 30 1 BHEF C=C1C2=C(CCCC2)C(=O)OC12CCCCC2 1630953 UDVPJDXTYDXRCU-UHFFFAOYSA-N 232.323 3.673 30 1 BHEF C=C1CN2[C@@H]3CC[C@@H]2[C@H]1[C@@H](c1ccc(C)cc1)C3 100846464 BMNNHOAPHMYHIH-QBPKDAKJSA-N 239.362 3.501 30 1 BHEF C=C1[C@H]2CC=C(C)[C@@H]2C[C@@H]2C[C@H]1OC2(C)C 15160848 UCHRRMWFDLTRHF-YIYPIFLZSA-N 218.340 3.712 30 1 BHEF biogenic C=C(C)[C@@H]1CCC(C(=O)OC)=C2CC[C@H](C)[C@@H]2C1 33832673 HOXPWZTVWIBECM-ZOWXZIJZSA-N 248.366 3.878 30 1 BHEF C#Cc1ccccc1NC(=O)OCCC(C)(C)C 473171682 UTUAGAUADBXAKF-UHFFFAOYSA-N 245.322 3.653 30 1 BHEF CS[C@H](C)CC(=O)C1=C(C)C=CCC1(C)C 59845819 SEZROPXYXHHZFK-LLVKDONJSA-N 238.396 4.000 30 1 BHEF CCC(=O)C=C[C@@H]1[C@H](C)C=CCC1(C)C 2356691869 ZQJCPDKTEXSWTH-DGCLKSJQSA-N 206.329 3.760 30 1 BHEF C=C1C[C@H](O)[C@H](C(C)C)[C@@H]2C=C(C)CC[C@H]12 13381244 UHPAOJOYWJZLCG-APIJFGDWSA-N 220.356 3.552 30 1 BHEF biogenic C=C1CC[C@H]2O[C@H]1[C@@H]1[C@H](C(C)C)CC[C@@]21C 257386307 BITBXAWCPCNKKN-ZQNQSHIBSA-N 220.356 3.792 30 1 BHEF endogenous,in-man C=C(C)[C@@H]1CC[C@@H](C)[C@@H]2CC(=O)C(C)=C2C1 15264613 CESATEXQMONATC-RTXFEEFZSA-N 218.340 3.904 30 1 BHEF biogenic C#Cc1c(-c2ccccc2)[nH]c2ccccc12 217627273 SKCCODGJEHKWHO-UHFFFAOYSA-N 217.271 3.816 30 1 BHEF CC(C)=CCCC(C)=CCC1=CC(=O)C=CC1=O 2356662195 GAJSCEURGWVNBZ-UHFFFAOYSA-N 244.334 3.704 30 1 BHEF CC(C)(C)C1=CC(=O)C(C2CCCCC2)=CC1=O 49803562 SYEKXJSPUQRMOF-UHFFFAOYSA-N 246.350 3.617 30 1 BHEF C[C@@H](C#N)c1cccc(-c2nc3ccccc3[nH]2)c1 587188367 QVTSYESUTDUMGU-NSHDSACASA-N 247.301 3.857 30 1 BHEF CC1=C2C[C@H]3CC[C@@H]4CC=C[C@H](C1=O)[C@@]24C3(C)C 2356367318 AKTRBMPSJRIWDY-SFDCBXKLSA-N 242.362 3.904 30 1 BHEF C=C[C@H](C=C(C)COC(=O)CCC)C(=C)C 2356673061 AIGHMGUTQUTCPA-CYBMUJFWSA-N 222.328 3.654 30 1 BHEF CC1=CC[C@]2(CC1=O)[C@H](C)CC[C@@H]2C(C)C 14413262 HBTHUBMUAHAWBC-NFAWXSAZSA-N 220.356 3.984 30 1 BHEF endogenous,in-man C=C1CC/C=C(\CO)CC[C@@H]2[C@@H]1CC2(C)C 33829858 MGIQTXDHQJGPEZ-NGPFNDBQSA-N 220.356 3.698 30 1 BHEF CC(=O)/C(C)=C/C=C/C=C/c1ccccc1 33954312 DLEPTASFXXJVDU-XVZDYSDNSA-N 212.292 3.791 30 1 BHEF C=C1CC[C@H](O)/C(C)=C/C[C@@H]2[C@H]1CC2(C)C 79671019 DWUYGFWOANEJRE-BTCPNLIFSA-N 220.356 3.696 30 1 BHEF C=C1CC[C@H]2O[C@H]1[C@@H]1[C@@H](C(C)C)CC[C@@]21C 230092066 BITBXAWCPCNKKN-QMIVOQANSA-N 220.356 3.792 30 1 BHEF endogenous,in-man C=CC(C)(C)c1nc2cc(C)c(Cl)cc2[nH]1 587954545 ZOJBEOOSTDGRQS-UHFFFAOYSA-N 234.730 3.988 30 1 BHEF C=CCc1ccc(Oc2ccccc2)c(O)c1 95921369 DBZGFSBCPYRHRA-UHFFFAOYSA-N 226.275 3.913 30 1 BHEF in-vitro C/C(=N\c1ccc(Cl)c(Cl)c1)N(C)C 101726087 UXZSKGRFAGMCIR-NTUHNPAUSA-N 231.126 3.605 30 1 BHEF CC1=CC[C@@H](C(C)C)[C@@H]2C[C@H](C=O)CC[C@@H]12 238768639 YNJVDSYCRWSLLF-QPSCCSFWSA-N 220.356 3.840 30 1 BHEF C=CCC(C)(C)c1nc2cc(C)c(F)cc2[nH]1 587954093 BZRTVDPMFOOESR-UHFFFAOYSA-N 232.302 3.864 30 1 BHEF C[C@@H]1CCC2=C1C(=O)C(C)(C)C[C@H]1C[C@@]21C 2356521302 RGESNQJVOSGLKA-HFBDOXOYSA-N 218.340 3.738 30 1 BHEF CCCCNc1nc(C)c(C#N)c2ccccc12 38764926 ZGNLVVROUJLABG-UHFFFAOYSA-N 239.322 3.627 30 1 BHEF CC(=O)CC/C(=C/C1=C(C)CCC1=O)C(C)C 40872768 OHMUFLMVZOSQEE-LCYFTJDESA-N 234.339 3.617 30 1 BHEF biogenic,in-vitro C=C1C=C[C@H](C(C)C)CC=C(C)[C@H](O)CC1 2356663523 KMNKEJZZENNJLR-LSDHHAIUSA-N 220.356 3.862 30 1 BHEF CC(C)=CCc1ccc2c(C/C=N/O)c[nH]c2c1 14451360 DBTCDTYONKJKNS-CAOOACKPSA-N 242.322 3.679 30 1 BHEF C=C1CC[C@H]2[C@H](C1)[C@@H](C(C)C)CC[C@@]2(C)O 13381749 DCGIIRVFKWJQME-APIJFGDWSA-N 222.372 3.776 30 1 BHEF C=CCc1cccc(OCCC)c1OCC 103284816 TVOMAKOGTBURJY-UHFFFAOYSA-N 220.312 3.603 30 1 BHEF CCO/N=C(\C)Nc1cc(Cl)cc(Cl)c1 103177443 DQIBJCHNLYQTSQ-UHFFFAOYSA-N 247.125 3.775 30 1 BHEF C=C1C(=O)O[C@@H]2CC(C)=CCC=C(C)CC[C@@H]12 2356418247 CUGKULNFZMNVQI-UONOGXRCSA-N 232.323 3.551 30 1 BHEF CC1(C)CCC[C@]2(C)OC[C@@H]3O[C@@]3(C)CC[C@H]12 257461946 KDMDYZZDZDVDQD-DHMWGJHJSA-N 238.371 3.539 30 1 BHEF Cc1oc(/N=C\c2ccccc2)c(C#N)c1C 17824274 CBCPVLGHKBPZSK-SXGWCWSVSA-N 224.263 3.519 30 1 BHEF C=C1CN2[C@H]3CC[C@@H]2[C@H]1[C@@H](c1ccc(C)cc1)C3 101090377 BMNNHOAPHMYHIH-YLFCFFPRSA-N 239.362 3.501 30 1 BHEF CCCCCCCC1=C[C@H](O)C=C(OC)C1 1857541598 QLFVXFRIBYLSOM-ZDUSSCGKSA-N 224.344 3.568 30 1 BHEF C=C1CCC=C(C)[C@H](O)CC(C)(C)[C@@H]2C[C@@H]12 2356510122 OAGCICGOMKMMKK-BFHYXJOUSA-N 220.356 3.696 30 1 BHEF C=C(C)[C@H](O)CC[C@@H](C)c1ccc(C)cc1 2356790985 GGJSLMNHHMITIH-UKRRQHHQSA-N 218.340 3.816 30 1 BHEF C=C(C)[C@@H]1CC[C@@H](C)[C@@]12CC=C(CO)CC2 13307464 KBMDEJULGPFFGC-SNPRPXQTSA-N 220.356 3.698 30 1 BHEF biogenic C=C(C)[C@@]1(O)CC[C@]2(C)CC=C(C)CC[C@H]21 13432031 LUWBRNPYIXNQTG-ILXRZTDVSA-N 220.356 3.840 30 1 BHEF C=C(Cc1ccccc1)C(=O)c1ccsc1 29243003 IPBKSFACAOIGOI-UHFFFAOYSA-N 228.316 3.730 30 1 BHEF C=C1CCC[C@]2(C)CC[C@H](C(C)C)[C@H](O)[C@H]12 257486756 MSJJKJCIFIGTJY-CBBWQLFWSA-N 222.372 3.776 30 1 BHEF endogenous,in-man C=C(C(=O)O)[C@@H]1CC=C(C)[C@H]2CC=C(C)[C@H]2C1 2356651142 CXLMGJLXOWRRSJ-MGPQQGTHSA-N 232.323 3.566 30 1 BHEF C=C1CCC[C@]2(C)CC[C@@H](C(NC=O)=C(C)C)[C@@H]12 13374981 VNVRTDPAIPTZEL-IIAWOOMASA-N 247.382 3.799 30 1 BHEF biogenic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c2[nH]c3ccccc3c2CCN1C 5158307 OYJOWYUOPVYDMC-OAHLLOKOSA-N 240.350 3.663 30 1 BHEF biogenic C=C(C)[C@H]1CC[C@]2(C)CCC[C@](C)(O)[C@H]2C1 33950773 DPQYOKVMVCQHMY-AJNGGQMLSA-N 222.372 3.920 30 1 BHEF C=C(C)[C@@H]1C[C@@H]2C(C)=CCC[C@@]2(C)C[C@@H]1O 15206841 ISCOVQFLLXCWHP-XGUBFFRZSA-N 220.356 3.696 30 1 BHEF biogenic,in-vitro C[C@H]1CC[C@H]2O[C@]23CC[C@H]2[C@H](C2(C)C)[C@]13C 95884225 UYPPHUAQDGUVKN-LMONPCFVSA-N 220.356 3.626 30 1 BHEF C=C(C)[C@@H]1CCC(C)=CCC[C@H]2C=C1OC2=O 2356530785 KRUFLIKMAWYHTI-STQMWFEESA-N 232.323 3.756 30 1 BHEF C=C(C)C1=CC[C@H](C)[C@@H]2CC(=O)C(C)=C[C@H]12 2356550643 QVTBIFDNDSHCEB-LEWSCRJBSA-N 216.324 3.680 30 1 BHEF CC1=C[C@@H]2C(=C(C)C)C(=O)C[C@H](C)[C@H]2CC1 2356604059 QUSMBBMIOONIAC-XQQFMLRXSA-N 218.340 3.904 30 1 BHEF C=C[C@@]1(C)CCC(=O)[C@](C)(CCC=C(C)C)O1 15160371 IPMAESOGOSAYQW-GJZGRUSLSA-N 236.355 3.816 30 1 BHEF biogenic CCN/C(=N/c1ccc(C)cc1)SC(C)C 40876505 XHICYOWVVUWLOW-UHFFFAOYSA-N 236.384 3.734 30 1 BHEF CCC(=O)CC[C@]1(C)C(C)=CC(=O)CC1(C)C 2356517278 CTDWGJUTLVEBAH-OAHLLOKOSA-N 236.355 3.697 30 1 BHEF C=C(C)[C@@H]1CC[C@H](C)[C@]23CC[C@@H](C)[C@]2(C1)O3 100778978 RGRYQUWGSJPMMK-JARUQAPTSA-N 220.356 3.936 30 1 BHEF endogenous,in-man CC1=CCC[C@@]2(C)CC[C@@]3(C(C)C)O[C@H]3[C@H]12 197339367 PRQISQJIVNJQOR-AJNGGQMLSA-N 220.356 3.936 30 1 BHEF C=C[C@@]1(C)CC[C@H]([C@@H](C)c2ccc(C)o2)O1 238734046 RZQBBGYIEUNQIV-YUTCNCBUSA-N 220.312 3.815 30 1 BHEF C=C1[C@H]2CC[C@@H](C2)[C@@]1(C)CCC=C(C)C(=O)OC 2356635212 WUOSCGIEMBSQHH-DZKIICNBSA-N 248.366 3.878 30 1 BHEF CC1=CC(=O)C=C2C[C@H](C(C)C)CC[C@@]12C 98081924 WWGLCDLYWNTMMZ-DOMZBBRYSA-N 218.340 3.904 30 1 BHEF C=C1CC[C@H]2[C@H](C)C(=O)C[C@@H](C(=C)C)[C@@H]2C1 238778732 VBTALUUAPIOMQJ-XDQVBPFNSA-N 218.340 3.760 30 1 BHEF Cc1c([C@H](C)S)nc2cccc3c2c1CC3 587216799 MTPNJIJGSQRXLM-VIFPVBQESA-N 229.348 3.633 30 1 BHEF CC(=O)C(C)=CC=CC=CC=Cc1cccnc1 2356542107 UBUAEHWEDNZXNZ-UHFFFAOYSA-N 239.318 3.743 30 1 BHEF CCC(=O)C=C[C@H]1[C@@H](C)C=CCC1(C)C 2356691868 ZQJCPDKTEXSWTH-AAEUAGOBSA-N 206.329 3.760 30 1 BHEF CCCCCCCC(=O)[C@@H](C)C(=O)n1cccc1 154707640 PETMFPKENSZEOI-CYBMUJFWSA-N 249.354 3.694 30 1 BHEF C=C(C)[C@@H]1CC[C@H](C)[C@]12CC(=C(C)C)C(=O)O2 13412551 KHOTZHZBHNDKOB-CORIIIEPSA-N 234.339 3.631 30 1 BHEF endogenous,in-man C=C[C@](C)(O)C[C@H]1C=C(C)CC[C@H]1C(=C)C 14560012 KPDSVTXZHWEKOQ-ILXRZTDVSA-N 220.356 3.862 30 1 BHEF biogenic N#Cc1cccc2[nH]cc(/C=C/c3cccnc3)c12 72105319 AFKORVYELFBNOJ-VOTSOKGWSA-N 245.285 3.605 30 1 BHEF C=C1CC[C@H]2O[C@]2(C)CC[C@@H]2[C@@H]1C[C@H]2C 238742057 WNIHTICIPAEQLC-XVIXHAIJSA-N 206.329 3.546 30 1 BHEF C=C(C)[C@@H]1CC[C@]2(C)CCC(=O)C=C2C1 1715040 NBEKVDFBSCFXPP-BXUZGUMPSA-N 204.313 3.658 30 1 BHEF CCCCCCC1=CC(=O)C(=O)c2ccccc21 13443912 LOGJSTVCVNOIHM-UHFFFAOYSA-N 242.318 3.806 30 1 BHEF C=C1CCC(=O)[C@@]2(C)CC[C@@H](C(C)C)[C@H]2C1 14559438 JBOONPKUPONSIB-GUTXKFCHSA-N 220.356 3.984 30 1 BHEF endogenous,in-man C=C1[C@H]2C[C@@H](C[C@H]3C(C)=CC[C@@H]13)C(C)(C)O2 15160847 UCHRRMWFDLTRHF-ZOBORPQBSA-N 218.340 3.712 30 1 BHEF biogenic C=C1CC/C=C(\C)CC[C@@H]2[C@@H]1[C@H](O)C2(C)C 238778087 DNWWLTIHFSGXHB-FEMBQWQASA-N 220.356 3.696 30 1 BHEF Cc1cc(C)c2[nH]c(C#Cc3ccccc3)nc2c1 587953777 TUZNCCLAWCPKHF-UHFFFAOYSA-N 246.313 3.580 30 1 BHEF CCCCCC/C=C/C=C/C#CC#CCCCO 43382054 ZKUCSQMMDJDRPK-XBLVEGMJSA-N 244.378 3.849 30 1 BHEF CC1=C[C@@H]2C(=C(C)C)C(=O)C[C@@H](C)[C@@H]2CC1 231159775 QUSMBBMIOONIAC-AGIUHOORSA-N 218.340 3.904 30 1 BHEF C=C(C)c1ccc(C)cc1OC(=O)C(C)=CC 2356574770 MHVVYWCDJGNGIX-UHFFFAOYSA-N 230.307 3.900 30 1 BHEF C=C1CC[C@@H]2C(C)(C)CCC[C@@]2(C)[C@H]1CO 34300354 ZPTSRWNMMWXEHX-GUTXKFCHSA-N 222.372 3.778 30 1 BHEF CCCCCCCCCCC#CCC(=O)O 102182441 NXRVELJJJOMFAM-UHFFFAOYSA-N 224.344 3.995 30 1 BHEF CCCO/N=C/COc1ccc(CC(C)C)cc1 103184831 PHOHAZONAKWFLD-CXUHLZMHSA-N 249.354 3.676 30 1 BHEF C=C1CC/C=C(\C)[C@@H](O)C[C@@H]2[C@@H]1CC2(C)C 13383808 OIEGRICJBAVBOD-NSJKMKOJSA-N 220.356 3.696 30 1 BHEF CCCCCCC[C@@]1(C)SC(=O)[C@@H](C)C1=O 53262289 JESYAZYDCUETJK-GXFFZTMASA-N 242.384 3.584 30 1 BHEF C#Cc1ccccc1OC(=O)OCCC(C)(C)C 473168079 JPGYGEBSGYJKBA-UHFFFAOYSA-N 246.306 3.620 30 1 BHEF C/C=C/C=C/C(=O)c1coc2ccccc12 587280777 YGMCVABXYJZCKF-CRBCFSCISA-N 212.248 3.748 30 1 BHEF C=CC(C)=C[C@]1(CC)SC(O)=C(CC)C1=O 2356594865 KDRQPAVHKKVXSL-ZDUSSCGKSA-N 238.352 3.763 30 1 BHEF CCN(CC)CCCC[C@H](C#N)c1ccccc1 5175458 CFIUWJWXMOGBFT-MRXNPFEDSA-N 244.382 3.806 30 1 BHEF C=C(C)[C@@H]1CC[C@@](C)(CCCC(C)=O)C(=O)C1 14694136 FCPUGTGXHMJFQH-UKRRQHHQSA-N 236.355 3.697 30 1 BHEF endogenous,in-man Cc1ccc(/N=C2/C=C(O)CC(C)(C)C2)c(N)c1 102516410 FXSXQQKCLYMGDI-BOPFTXTBSA-N 244.338 3.912 30 1 BHEF C=C1[C@H]2C[C@@H](C[C@H]2CO)[C@]1(C)C1CCCCC1 2356371162 WRTRGCCKEVBYEW-XZDPQHSOSA-N 234.383 3.778 30 1 BHEF C=C(C)[C@H]1CC[C@@]2(C)CCC[C@@](C)(N)[C@@H]2C1 13352059 IEHDMDFZDJQIHW-GBJTYRQASA-N 221.388 3.886 30 1 BHEF CCCC[C@@H]1C=CC(=O)/C1=C/CC(C)C 169742196 JMZMUSAQYGYPIK-AUWXEVLLSA-N 206.329 3.904 30 1 BHEF C[C@@H]1CCC[C@]23O[C@@H]2C[C@@H]2[C@@H](C2(C)C)[C@@]13C 2356331292 WDIRTEJWYGLLSB-RQVRSSQJSA-N 220.356 3.626 30 1 BHEF C=C1CCC=C(C)CCC=C(C)C[C@H]1O 2356377858 NWBFVPGCVIAARR-CQSZACIVSA-N 206.329 3.760 30 1 BHEF C=C(C)[C@@H]1CC[C@H](C)[C@@H]2CCC(C)=C2C1=O 2356400563 CJWIRAUUWUXYQH-DRZSPHRISA-N 218.340 3.904 30 1 BHEF CC(C)=C1C[C@@H]2[C@H](C1=O)[C@@]1(C)CCC[C@]21C 2356508229 DCYUAVNAQVATAZ-QHSBEEBCSA-N 218.340 3.738 30 1 BHEF CCCCCCCC=CC(=O)NCC(C)C 2356509793 BBZPUGFXXAPEJY-UHFFFAOYSA-N 225.376 3.675 30 1 BHEF C=C1O[C@@H](O)C=C1CC[C@@H]1C(=C)C=CCC1(C)C 2356807319 WGEYPQJERFBBPB-HUUCEWRRSA-N 246.350 3.714 30 1 BHEF C=C[C@H](O)C#CC#CC/C=C/C=C\CCCCC 263638651 WJFSPRQRDLHNOE-KAZFXHDQSA-N 242.362 3.623 30 1 BHEF C=C(C(=O)OC)[C@H]1CC[C@@H](C)[C@@H]2CCC(C)=C[C@H]12 14918139 AOBAHYLCIGMCHX-BEAPCOKYSA-N 248.366 3.734 30 1 BHEF C=C(C)[C@@H]1CC[C@]2(C)CCC[C@H](C)[C@@H]2[C@@H]1O 15209662 QZOCRPIQQKLQHN-AHDPXTMNSA-N 222.372 3.776 30 1 BHEF biogenic C=C1C(=O)O[C@@H](c2ccccc2)[C@H]1CCCC 38918231 BXTPVEMKSUYEKK-KBPBESRZSA-N 230.307 3.647 30 1 BHEF C=C1C(=O)O[C@@H]2C=C(C)CCCC(C)=CC[C@@H]12 1857743739 YASQWKKSUDWLGB-UONOGXRCSA-N 232.323 3.551 30 1 BHEF CC1=C[C@H]2[C@H](CC1=O)C(C)=CC[C@H]2C(C)C 3978620 LMILVXQXGKTFSZ-BFHYXJOUSA-N 218.340 3.760 30 3 BHEF in-vitro C=C(C)c1cc(O)c2c(c1C)[C@H](C)CCC2=O 13300359 UFAOZCAWOSPESC-SECBINFHSA-N 230.307 3.814 30 1 BHEF biogenic C=C(C)[C@@H]1CC[C@@]2(C)CC=C(C(=O)O)CC[C@@H]12 14956147 XGIXSMYBMGPSNO-KCQAQPDRSA-N 234.339 3.790 30 1 BHEF biogenic C=C1[C@@H](CO)C[C@]2(C)CCCC(C)(C)[C@@]12C 238769758 ZAJCGIUTBZQWJO-VHDGCEQUSA-N 222.372 3.778 30 1 BHEF C=C(C)[C@@H]1CC[C@@]2(C=C(C)C(=O)C[C@@H]2C)C1 2356587119 YYZGYGHTZBOPEE-GZBFAFLISA-N 218.340 3.904 30 1 BHEF C=C1[C@H]2[C@@H](C[C@@H]3CCC(C)(C)[C@H]32)C[C@H]1OC(C)=O 2356786368 AOIWPSLNQPLIFJ-SBJFKYEJSA-N 248.366 3.567 30 1 BHEF CCCCCCC/C=C/C(=O)N1CCCCC1 95914099 QBDDXKUFMFRNPR-FMIVXFBMSA-N 237.387 3.916 30 1 BHEF biogenic,in-vitro C=C(C)C(=O)CC[C@]1(C)C2C[C@H]3[C@@H](C2)C31C 155894877 MDRVDKWRYQTZJE-SQENJKCDSA-N 218.340 3.594 30 1 BHEF C=C[C@@H](O)C#CC#CC=CC=CCCCCCC 2356613712 VQLVMDURNHLTBU-QGZVFWFLSA-N 242.362 3.623 30 1 BHEF C=C(C)[C@@H]1CC[C@H](C)[C@@]23CC[C@H](C)[C@]2(C1)O3 15264178 RGRYQUWGSJPMMK-RMEBNNNOSA-N 220.356 3.936 30 1 BHEF endogenous,in-man CCCCCCC(=O)/C=C/c1ccc(O)c(O)c1 34090952 WPRDHNFVCHBYCE-VQHVLOKHSA-N 248.322 3.651 30 1 BHEF CC1=C(O)[C@](C)(CC2CCCCC2)SC1=O 101032235 KAXPGECXKUZZJW-ZDUSSCGKSA-N 240.368 3.821 30 1 BHEF Cc1cc(Cl)cc2c(C#N)c(C(F)F)[nH]c12 587625041 ZYAZLSNRJPWTHT-UHFFFAOYSA-N 240.640 3.939 30 1 BHEF C=C1CC/C=C(\C)[C@H](O)CC(C)(C)[C@H]2C[C@H]12 473120531 OAGCICGOMKMMKK-ZISRIWIASA-N 220.356 3.696 30 1 BHEF C=C1C[C@H]2O[C@@]2(C)CC[C@@H]2[C@@H]1CC2(C)C 3978662 AMTSLHRSERHBCF-BYNQJWBRSA-N 206.329 3.546 30 3 BHEF in-vitro C=C(C)[C@@H]1CC[C@](C)(O)[C@@H]2CCC(C)=C[C@@H]12 238753920 NRNOOMCOYPENIN-XQLPTFJDSA-N 220.356 3.696 30 1 BHEF C=C(C)[C@@]12CC[C@@](C)(O1)[C@@H]1CCC(C)=C[C@@H]1O2 14968261 ZMHISHRHYGBSCM-LXTVHRRPSA-N 234.339 3.583 30 1 BHEF biogenic CCC#CCCCCCCCCCC(=O)O 33822234 LKSOLMUNOQDBOL-UHFFFAOYSA-N 224.344 3.995 30 1 BHEF CCCCCCCOCCc1scnc1C 653697792 FMNFQQJDKKLQGU-UHFFFAOYSA-N 241.400 3.981 30 1 BHEF C=C1CCC(=O)CCC[C@H]2[C@H]1CC2(C)C 14614568 SVROROODYLVLSH-STQMWFEESA-N 206.329 3.738 30 1 BHEF biogenic C=C1C(=O)C[C@H]2[C@H]3[C@@H]1[C@]2(C)CCCC3(C)C 238747514 MIJOZYYZCMBCHF-QMPIGLIWSA-N 218.340 3.594 30 1 BHEF C=CCN1CCC[C@@]2(c3ccccc3)CC[C@H]1C2 253669718 HMWVGMFZKWHIJH-DLBZAZTESA-N 241.378 3.759 30 1 BHEF C=C1C=C[C@H](C(C)C)C[C@H](O)C(=C)CCC1 2356406878 JUDKJOAKWBVHBX-GJZGRUSLSA-N 220.356 3.862 30 1 BHEF C=CC[C@H](Nc1ccccc1)c1ccncc1 29057934 QMWXVFBZAPINLI-HNNXBMFYSA-N 224.307 3.811 30 1 BHEF CC(=O)/C=C/C=C1/[C@H]2CC[C@H](C2)C1(C)C 30690744 WDMFHQNUSVLQMS-FSZGTJMISA-N 204.313 3.514 30 1 BHEF in-man C=C1CCC[C@]2(C)[C@@H](O)CC(=C(C)C)C[C@@H]12 15206996 KIWHFBIBAJSYHN-KKUMJFAQSA-N 220.356 3.840 30 1 BHEF biogenic C=CC(C)(C)c1nc2cnc3ccccc3c2[nH]1 587954714 DNSCIEOEAYQOGD-UHFFFAOYSA-N 237.306 3.575 30 1 BHEF C=C(C)[C@@H]1CC[C@@]2(C)CCCC(C(=O)O)=C2C1 15206243 UPRJMZGSOCQFML-IAQYHMDHSA-N 234.339 3.934 30 1 BHEF biogenic,in-vitro CC1=C(C)[C@]23CC[C@H](C)[C@H]2CC[C@]3(C)C1=O 34563698 WRSMTJOLBOXBOD-ZEQHWRKHSA-N 218.340 3.738 30 1 BHEF biogenic CC1(C)C[C@@]23CC[C@H]1[C@]2(C)CC[C@@H]1O[C@]13C 2356329902 BXKXWMWZABIJFN-WKZARQIDSA-N 220.356 3.770 30 1 BHEF Cc1coc2c1C[C@@]1(C)C(=C2)C(=O)CC[C@H]1C 15220988 VSDUSOQWCZPNDE-MEBBXXQBSA-N 230.307 3.533 30 1 BHEF biogenic C=C1CC[C@H](C(C)C)[C@@H]2CC(CO)=CC[C@H]12 2356416285 OGGSHCXHHJBPCN-KFWWJZLASA-N 220.356 3.554 30 1 BHEF C=C1CC[C@H](C(C)C)[C@@H]2C[C@H](C)[C@@H](O)C[C@@H]12 2356697052 HMNKVQOCUYFAGU-AICCOOGYSA-N 222.372 3.632 30 1 BHEF C=C(C)[C@@H]1CC[C@](C)(O)[C@H]2CCC(C)=C[C@@H]21 2356718198 NRNOOMCOYPENIN-XGUBFFRZSA-N 220.356 3.696 30 1 BHEF C=C1CC[C@@H](O)[C@@]2(C)CC[C@@H](C(=C)C)C[C@@H]12 85757141 CORHHSPHLRPKPM-BARDWOONSA-N 220.356 3.696 30 1 BHEF C=C(C)[C@@H]1CC[C@]2(C)CCC[C@@H](C)[C@]2(O)C1 15209655 LLTYVNOOGNNNPY-APIJFGDWSA-N 222.372 3.920 30 1 BHEF biogenic CC(C)[C@H]1CC[C@H](C)[C@@]12C=CC(=O)CC2 85920024 DSSBTLQJLSPXEW-YUTCNCBUSA-N 206.329 3.594 30 1 BHEF C=CCCCC/C=C/C=C\C#C/C=C/C=C/CO 238744078 IWDABMVYFCSCSS-QQGYBIQWSA-N 242.362 3.953 30 1 BHEF CC(C)=CCC[C@@H](C)[C@@H]1CC[C@]2(C)O[C@@H]2C1=O 238745840 VCJCPIVKWWHJIG-OSRDXIQISA-N 236.355 3.506 30 1 BHEF CC(C)=C1C[C@]2(C)C(=C(O)C1=O)CCC[C@H]2C 14450456 PIGIXBXGOOKXOZ-BMIGLBTASA-N 234.339 3.934 30 1 BHEF biogenic C=C[C@](C)(O)CC[C@H]1C(=C)[C@@H](C)CC=C1C 14954174 UAQRXAWGZKFMDP-GLQYFDAESA-N 220.356 3.862 30 1 BHEF biogenic C=C[C@]1(C)CC(=O)C(C(C)C)=C[C@H]1C(=C)C 2356461015 RZWNNDIESGRUHW-DZGCQCFKSA-N 218.340 3.926 30 1 BHEF C=C(C)[C@@H]1CC[C@H](C)[C@@H]2CC[C@](C)(O)[C@@H]2C1 2356567820 BEWUYYKPXKLMEK-ZQNQSHIBSA-N 222.372 3.776 30 1 BHEF C=C(C)[C@@H]1CCC[C@@]23O[C@@H]2CC[C@@H](C)[C@]13C 59778445 LLQBOMCVABNZDR-XLWJZTARSA-N 220.356 3.936 30 1 BHEF C=C(C)[C@@H]1CC[C@@]1(C)[C@H]1CC=C(C(=O)O)CC1 15148393 BLGAJKOXJDHQAR-YDHLFZDLSA-N 234.339 3.790 30 1 BHEF biogenic C=C(C)[C@H]1CC[C@]2(C)CCCC(=C)[C@]2(O)C1 85757178 OEFZSVXJENLPRM-SOUVJXGZSA-N 220.356 3.840 30 1 BHEF C=C1C(=O)C[C@H]2[C@H]1CC[C@@]1(C)CCCC(=C)[C@H]21 238733833 OINFTKHXNVCYLH-WMHQRMGPSA-N 230.351 3.904 30 1 BHEF C=C(C)[C@H]1CC[C@@]2(C)C(O)=CC(=O)C(C)=C2C1 14452532 UVPKPVSGUFZAQZ-XHDPSFHLSA-N 232.323 3.710 30 1 BHEF biogenic C=C(C)[C@@H]1CC[C@H](C)[C@@H]2CCC(CO)=C[C@H]21 14918160 WLYWLGVSETTZFS-MXAVVETBSA-N 220.356 3.554 30 1 BHEF biogenic CC1=C[C@H]2C(=C(C)C(=O)C[C@H]2C(C)C)CC1 13381142 VFACPFXGWGDKEY-KBPBESRZSA-N 218.340 3.904 30 1 BHEF biogenic C=CCC[C@H](C/C=C(/C)CCO)C(=C)C 114715162 BOOBJSIZYLHKKZ-YLHGKKIISA-N 208.345 3.864 30 1 BHEF C=C1C(=O)O[C@H]2C=C(C)CCCC(C)=CC[C@H]12 2356785908 YASQWKKSUDWLGB-KGLIPLIRSA-N 232.323 3.551 30 1 BHEF CC(C)=C1CC(=O)[C@@H](C)CC/C=C(\C)CC1=O 15255947 ZYPUZCWWTYIGFV-BCMYLCSRSA-N 234.339 3.617 30 1 BHEF biogenic,in-vitro CO[C@H](c1ccccc1)[C@@H]1O[C@H]1c1ccccc1 221252427 HHARSFWIGYFTTK-PMPSAXMXSA-N 240.302 3.514 30 1 BHEF C=C(C)C1=CC[C@@H](C)[C@@H]2CC(=O)C(C)=C[C@H]12 523041766 QVTBIFDNDSHCEB-DDTOSNHZSA-N 216.324 3.680 30 1 BHEF biogenic C=C(C)[C@H]1CC[C@@H](C)c2c1cc(C)c(O)c2O 13381389 RSZOVYRXXYVNDQ-MWLCHTKSSA-N 232.323 3.963 30 1 BHEF biogenic CC1=C[C@H]2C(=C(C)CC[C@H]2C(C)C)CC1=O 13381317 IZZYGYDERUCSAO-GXTWGEPZSA-N 218.340 3.904 30 1 BHEF biogenic C=C1CCC[C@]2(C)CC[C@@H](C(C)C)[C@H](N)[C@@H]12 34409145 WDKGRMAUDLZWQE-LJISPDSOSA-N 221.388 3.742 30 1 BHEF CO[C@H](c1ccccc1)[C@@H]1O[C@@H]1c1ccccc1 169705216 HHARSFWIGYFTTK-OAGGEKHMSA-N 240.302 3.514 30 1 BHEF C=C(C)[C@@H]1CC[C@]2(C)C=C(O)C(=O)C(C)=C2C1 238759295 ANBQZRWVQGYZGU-IAQYHMDHSA-N 232.323 3.710 30 1 BHEF CC(C)CC(=O)C[C@@H](C)[C@H]1CC[C@@H](C=O)CC1 238773679 CCESFWBGKDVCRQ-MGPQQGTHSA-N 238.371 3.633 30 1 BHEF Cc1c([C@H](C)C#N)[nH]c2cc(Cl)c(F)cc12 587630626 NCLDGYOJAKMQHE-ZCFIWIBFSA-N 236.677 3.896 30 1 BHEF C=C(C)[C@@H]1CC[C@@]2(C)C(C)=CC(=O)C=C2C1 98081925 IGKFJPQEORUCNB-DOMZBBRYSA-N 216.324 3.824 30 1 BHEF C=CC(=O)C(C)=C(SCC)c1ccccc1 2356866639 VOAMHFFCUZSAQO-UHFFFAOYSA-N 232.348 3.926 30 1 BHEF C=C(C)[C@H]1CC[C@](C)(CCCC(C)=O)C(=O)C1 14694142 FCPUGTGXHMJFQH-ZFWWWQNUSA-N 236.355 3.697 30 1 BHEF endogenous,in-man CC1=CC(=O)c2c(C)coc2[C@]2(C)CCC[C@H]12 15194619 QEGALMXERDDKFF-IAQYHMDHSA-N 230.307 3.788 30 1 BHEF biogenic C=C1[C@@H](O)CC(C(C)C)=C[C@@H]2[C@@H](C)CC[C@@H]12 143640957 WFAWAGJRGJHCLR-HPEDKQMDSA-N 220.356 3.552 30 1 BHEF C=C(C)[C@@H]1CC[C@](C)(O)[C@@H]2CC[C@@H](C)[C@H]2C1 138081520 VYOZKWKETGHHDW-RYPNDVFKSA-N 222.372 3.776 30 1 BHEF endogenous,in-man C=CCCCCC[C@@H]1O[C@H]1CC#CC#C/C=C/C 224675159 YSDPVCLBQZDPNI-HNKISGKTSA-N 242.362 3.863 30 1 BHEF C=C1C(=O)O[C@@H]2C=C(C)CCC[C@@H](C)CC[C@H]12 2356566250 DCNAVROPXHTJGM-LERXQTSPSA-N 234.339 3.631 30 1 BHEF C=C1CC[C@H]2O[C@@H]3[C@H](C(C)C)CC[C@@]2(C)[C@H]13 238735049 XIAAFIUDEVSFJM-NJVJYBDUSA-N 220.356 3.792 30 1 BHEF C=C1CC[C@@H]2C[C@@H]1C(C)(C)C[C@H](O)C=C2C 238777625 CXCWPODYESQSPM-MCIONIFRSA-N 220.356 3.696 30 1 BHEF C=CCC(C)(C)c1nc2ccc(C)cc2[nH]1 587954402 SPAYLHGWIGHILQ-UHFFFAOYSA-N 214.312 3.725 30 1 BHEF CC1=C[C@@H]2C(=C(C)C)CC[C@@H](C)[C@H]2CC1=O 2356515016 WCBCKXJLRYPWHZ-LERXQTSPSA-N 218.340 3.904 30 1 BHEF C=C(C)C[C@@H]1CCC=C2C(=O)CC(C)(C)[C@H]21 2356552712 ZYVOQSKSDNGLKB-FZMZJTMJSA-N 218.340 3.904 30 1 BHEF C=C(C)C(=O)CC[C@@H](C)c1ccc(C)cc1O 2356792532 JVEQAAHOYLCOQE-GFCCVEGCSA-N 232.323 3.730 30 1 BHEF Cc1ccc(N/C=C2\C=CC=CC2=O)cc1Cl 104017732 LYHMKEGUEUQPEV-PKNBQFBNSA-N 245.709 3.639 30 3 BHEF C=C1CC[C@H](C(C)C)C2=C[C@](C)(O)CC[C@@H]12 14918199 MQUAYICQWWZUAY-VNHYZAJKSA-N 220.356 3.696 30 1 BHEF biogenic C=C1CC[C@]2(C)[C@@H](O)[C@H]1[C@]1(C)CCC[C@]21C 238769222 JKHYQMRSAYOHOA-LXFSFDBISA-N 220.356 3.530 30 1 BHEF C#CC=CCC=C[C@@H]1CC[C@@H](CC)[C@H]2CCCN12 2356475998 YASMBDUEGFXWLE-BRWVUGGUSA-N 243.394 3.775 30 1 BHEF C=C(C)C=Cc1ccc2[nH]cc(CC=NO)c2c1 2356717557 AXIGXWXFKXWZDN-UHFFFAOYSA-N 240.306 3.760 30 1 BHEF Cc1cccc(/C=N\N=C/c2cccc(C)c2)c1 15986102 WHDOTVYJQXLOJU-WHYMJUELSA-N 236.318 3.756 30 1 BHEF COc1ccc(Cl)cc1C#Cc1ccc(C)o1 587912340 LXOVFBMXRVNYMF-UHFFFAOYSA-N 246.693 3.650 30 1 BHEF CCCCC=CC=CC=CC=NN=NO 2356562027 LHUQTZGIUIKTLZ-UHFFFAOYSA-N 207.277 3.672 30 1 BHEF C=C(C(=O)O)[C@@H]1CC=C(C)[C@@H]2CC=C(C)[C@@H]2C1 2356651143 CXLMGJLXOWRRSJ-RDBSUJKOSA-N 232.323 3.566 30 1 BHEF C=C(C)[C@@H]1CC[C@@H](C)[C@@H](CCC(C)=O)C(=O)C1 14884884 CGLWYEZJKQTMLC-MRVWCRGKSA-N 236.355 3.553 30 1 BHEF biogenic CC1=C[C@@H]2C(=C(C)CC[C@H]2C(C)C)CC1=O 154718702 IZZYGYDERUCSAO-JSGCOSHPSA-N 218.340 3.904 30 1 BHEF C=C1[C@H]2CC[C@@H](C2)[C@]1(C)CCC=C(C)C(=O)O 2356586197 PMCPDNGTLRPFQQ-KCQAQPDRSA-N 234.339 3.790 30 1 BHEF C=C(C)[C@H]1CC[C@@]2(C=C(C)[C@H](O)C[C@H]2C)C1 238734967 KEJDOISIOSPWEF-LXTVHRRPSA-N 220.356 3.696 30 1 BHEF C=C1CC(C(C)C)=CC[C@@H]2[C@@H]1CC[C@@]2(C)O 2356504984 MDWXTAJJDBSNKM-RBSFLKMASA-N 220.356 3.696 30 1 BHEF C=C(C)[C@H]1CCC2(C1)C(C)=CC(=O)C=C2C 14714061 JZRJXZHBHSDLDS-ZDUSSCGKSA-N 216.324 3.824 30 1 BHEF biogenic C=C(C)[C@H]1CCC[C@@]2(C)CCC[C@@](C)(O)[C@H]12 95911785 GWQUKIFNLZSKBV-APIJFGDWSA-N 222.372 3.920 30 1 BHEF biogenic,in-vitro CC1=CC(=O)[C@@H]2[C@H]3[C@@H]1[C@]2(C)CCCC3(C)C 103186109 KTPOZFYJWLGJGH-BHPKHCPMSA-N 218.340 3.594 30 1 BHEF in-man C=CC1=C2C=C(C(=C)C)CC[C@@]2(C)C[C@H](O)C1 2356704620 ATDCMONBZOSPNV-ZBFHGGJFSA-N 230.351 3.926 30 1 BHEF CC1(C)[C@@H]2C=CCC[C@H]3O[C@@]3(C)CC[C@H]21 2356648216 SGNHFLIRMDBALK-BYNQJWBRSA-N 206.329 3.546 30 1 BHEF C=C(C)c1ccc(C)c2ccc(C(=O)O)c-2c1 2356867505 WSJURZJSLWQMRQ-UHFFFAOYSA-N 226.275 3.831 30 1 BHEF Cc1ccc(-c2ccc(C#CCCO)s2)s1 14590527 ADQMFRWVCORNJP-UHFFFAOYSA-N 248.372 3.519 30 1 BHEF biogenic C=C(CO)[C@@H]1CC[C@@H](C)[C@@H]2CCC(C)=C2C1 15264392 PVSNVQBILAAHGF-HONMWMINSA-N 220.356 3.698 30 1 BHEF biogenic N#C[C@H](CC1CC1)c1ccc(Cl)cc1 95873005 ZRHDKPQQVFPKFY-NSHDSACASA-N 205.688 3.747 30 1 BHEF C=C1CC[C@]2(C)[C@H](O)[C@H]1[C@]1(C)CCC[C@]21C 135742784 JKHYQMRSAYOHOA-ZQNQSHIBSA-N 220.356 3.530 30 1 BHEF C=C(C)[C@@H]1[C@@H](O)C=C(C)[C@@H]2CC[C@H](C)C[C@H]21 238772055 VSKFQHOVPUQNSE-DJIJKHNZSA-N 220.356 3.552 30 1 BHEF C=C(C)[C@H]1CC[C@]2(C)OC(=O)C(=C(C)C)C[C@@H]12 13384244 ZZEKLJSJUUZCFB-ZLDLUXBVSA-N 234.339 3.631 30 1 BHEF biogenic,in-vitro CCCCCC[C@@]1(C)SC(=O)C=C1OC 13609063 VDDGISXPYCATBW-GFCCVEGCSA-N 228.357 3.519 30 1 BHEF C=C[C@]1(C)CC[C@@H]([C@H](C)C(=O)CC=C(C)C)O1 15163626 FJKKZNIYYVEYOL-VHDGCEQUSA-N 236.355 3.672 30 1 BHEF endogenous,in-man CCS/C(N)=N/c1ccccc1C(C)C 13762683 CYTGYYHWIKQBLO-UHFFFAOYSA-N 222.357 3.509 30 1 BHEF CC1=CC(=O)c2c(C)coc2[C@]2(C)CCC[C@@H]12 15194615 QEGALMXERDDKFF-XHDPSFHLSA-N 230.307 3.788 30 1 BHEF biogenic C=C(C)[C@@H]1CC[C@]2(C)C[C@@H](O)CC(=C)[C@@H]2C1 15207068 OFAYIAUICPXDBC-CBBWQLFWSA-N 220.356 3.696 30 1 BHEF biogenic N#Cc1ccc2oc(C(=O)c3ccccc3)cc2c1 957665022 OTHFBUVDXOGQEP-UHFFFAOYSA-N 247.253 3.535 30 1 BHEF C=C(C)[C@@H]1CC[C@H]2C(=O)CC[C@H](C)[C@@]2(C)C1 85725646 YHPOLTFUARNADB-SFDCQRBFSA-N 220.356 3.984 30 1 BHEF biogenic,in-man C=C(C(=O)OC)[C@@H]1C=CC2=CCC[C@H](C)[C@]2(C)C1 2356504269 JFJZCPCBEGYBHN-GHJWDPDVSA-N 246.350 3.654 30 1 BHEF C=C1C[C@H](O)C=C(C)CC[C@H]2[C@H]1CC2(C)C 2356710425 DJGZASXOWNHOFE-RDBSUJKOSA-N 220.356 3.696 30 1 BHEF C=C(C)[C@H]1CC[C@@]2(C)CCC[C@@](C)(O)[C@@H]2C1 12153415 DPQYOKVMVCQHMY-GBJTYRQASA-N 222.372 3.920 30 1 BHEF endogenous,in-man C=CCCCCCC/C=C/C#CC#CC(=O)C=C 15270023 SDLHNQGTGGNOQZ-VAWYXSNFSA-N 240.346 3.831 30 1 BHEF CC1=CC(=O)[C@@H]2[C@@H]3[C@@H]1[C@@]2(C)CCCC3(C)C 100826389 KTPOZFYJWLGJGH-GUIRCDHDSA-N 218.340 3.594 30 1 BHEF endogenous,in-man C[C@H]1CCC=C2CC[C@H]3[C@H]([C@@]3(C)C=O)[C@@]21C 95909645 IQBWPZYQOFAABM-XKNKYKOPSA-N 218.340 3.594 30 1 BHEF biogenic,in-vitro CCCCCCCC=CC(=O)N1CCCCC1 2356354791 QBDDXKUFMFRNPR-UHFFFAOYSA-N 237.387 3.916 30 1 BHEF CC1=C2CC[C@H](C)[C@@H]2[C@@H]2[C@@H](CC1=O)C2(C)C 13373009 FUIPJCVSKAWFTI-KNEYZDPSSA-N 218.340 3.594 30 1 BHEF biogenic C=C[C@]1(C)CC[C@H]([C@H](C)C(=O)CC=C(C)C)O1 15163630 FJKKZNIYYVEYOL-BPLDGKMQSA-N 236.355 3.672 30 1 BHEF endogenous,in-man CC1=CC[C@H](C(C)C)[C@@H]2C[C@@H](C=O)CC[C@H]12 2356654498 YNJVDSYCRWSLLF-YJNKXOJESA-N 220.356 3.840 30 1 BHEF C=CC[C@@H](SC)C1=C(C)C(=O)c2ccccc21 5757532 GWFPJWNIEWMHQR-CYBMUJFWSA-N 244.359 3.964 30 1 BHEF C=C1CCCC(C)(C)[C@@]12CC=C(C)C[C@@H]2O 35028819 DXBIAJPIRJITAF-ZFWWWQNUSA-N 220.356 3.840 30 1 BHEF C=C[C@]1(C)CC[C@H]([C@H](C)C(=O)C=CC(C)C)O1 2356541775 NMSXSGMHOUHHGP-BPLDGKMQSA-N 236.355 3.528 30 1 BHEF CCCCCCC=CC=CC(=O)NCC(C)C 2356713328 FORAWDNTGHQWDT-UHFFFAOYSA-N 237.387 3.841 30 1 BHEF CCCCCCC#CCCCCCC(=O)O 102182454 PSCRCHKVKCIYOU-UHFFFAOYSA-N 224.344 3.995 30 1 BHEF C[C@H]1CCCC2=CC[C@H]3[C@@H]([C@@]21C)[C@]3(C)C=O 238740756 BLEOQSXDEQNPRC-VNUKXSOBSA-N 218.340 3.594 30 1 BHEF [O-]/[N+](=C/c1ccccc1)c1ccc(Cl)cc1 1711846 SQFOKZCBFNORNB-XNTDXEJSSA-N 231.682 3.601 30 1 BHEF C=C[C@]1(C)C[C@H](O)[C@H](C(=C)C)C[C@@H]1C(C)C 15150028 SNRRJYWOCWXKHG-LJISPDSOSA-N 222.372 3.798 30 1 BHEF biogenic CCCCCCCCn1[nH]c2ccccc2c1=O 140913652 KCNMHSCBHJHSOW-UHFFFAOYSA-N 246.354 3.690 30 1 BHEF N#Cc1cc(Cl)c2[nH]c(C=C3CCC3)nc2c1 587965759 WZHYOGRSBJYCNV-UHFFFAOYSA-N 243.697 3.655 30 1 BHEF C=C1CC[C@@H]2[C@H]([C@@H]3C[C@H](C)C[C@H]13)[C@]2(CN)CCC 2356638279 XWAUJEHNVCPJSC-XUANMNRGSA-N 247.426 3.990 30 1 BHEF C=C(C)[C@@H]1CC[C@]2(C)CCC[C@@](C)(N)[C@@H]2C1 13352045 IEHDMDFZDJQIHW-APIJFGDWSA-N 221.388 3.886 30 1 BHEF biogenic C=C(C)[C@@H]1CCC2(C1)C(C)=CC(=O)C=C2C 14714059 JZRJXZHBHSDLDS-CYBMUJFWSA-N 216.324 3.824 30 1 BHEF biogenic C/C=C/C=C/C#C/C=C/C=C/CCCOC(C)=O 238766074 UWBOXJNXDPRYIO-ZRIKKMCISA-N 244.334 3.578 30 1 BHEF C=C(C)[C@@H]1CC[C@]2(C)CC=C(C(=O)O)CC[C@H]12 13432053 XGIXSMYBMGPSNO-GUTXKFCHSA-N 234.339 3.790 30 1 BHEF biogenic CC(=O)C1=C(C)N=C2CC(C)(C)CC(O)=C2[C@H]1C 101891329 QTFWJDKCCCHIKG-QMMMGPOBSA-N 247.338 3.572 30 1 BHEF N#C[C@H]1C(=N)c2ccccc2CC12CCCCC2 169687516 OVWIQDDXLXUHBL-AWEZNQCLSA-N 238.334 3.701 30 1 BHEF C=C[C@@H]1CC[C@@H](C(C)C)C(=O)[C@@H]1C(=C)C 238738935 QGRQKLHZONWMTM-FRRDWIJNSA-N 206.329 3.616 30 1 BHEF C=CC(C)=C[C@@]1(CC)SC(=O)C(CC)=C1O 2356620864 GUYLXXKTXNVUKW-CYBMUJFWSA-N 238.352 3.763 30 1 BHEF C=CCCCCC[C@H]1O[C@@H]1CC#CC#CC=CC 2356433147 YSDPVCLBQZDPNI-IAGOWNOFSA-N 242.362 3.863 30 1 BHEF C=C(C)[C@@H]1CC[C@]2(C)CCC=C(C)[C@@]2(O)C1 15206810 PWKUFWSNBDVOCV-ILXRZTDVSA-N 220.356 3.840 30 1 BHEF biogenic C=C(C)[C@@H]1CC[C@]2(C)CC[C@@H](O)C(C)=C2C1 15206916 APWLDLGOYJHNIK-BPLDGKMQSA-N 220.356 3.840 30 1 BHEF endogenous,in-man C=C1CCC[C@@]2(C)CC[C@H](C(C)C)[C@@H](O)[C@H]12 238745135 MSJJKJCIFIGTJY-BARDWOONSA-N 222.372 3.776 30 1 BHEF C=C1CC[C@H](O)C(=C)/C=C/[C@H](C(C)C)CC1 238771470 HHSHDKYRXLFJMS-MMCPSDEHSA-N 220.356 3.862 30 1 BHEF C=C(C)[C@@H]1CC[C@@H](C)[C@@H]2CCC(C)=C2C1=O 2356400565 CJWIRAUUWUXYQH-WXHSDQCUSA-N 218.340 3.904 30 1 BHEF C=C1[C@H](OC(C)=O)C[C@@H]2C[C@@H]3CCC(C)(C)[C@H]3[C@H]12 2356786369 AOIWPSLNQPLIFJ-VQJWOFKYSA-N 248.366 3.567 30 1 BHEF C=C1CC[C@H]2C[C@@H]1[C@@]2(C)CC/C=C(\C)C(=O)O 13376487 SAMAJCLBXKAWIT-KFCMCJRJSA-N 234.339 3.790 30 1 BHEF in-vitro C=C(C)[C@@H]1CC[C@]2(C)C[C@H](O)CC(C)=C2C1 70451264 NFZWWJWNBXICBW-UMVBOHGHSA-N 220.356 3.840 30 1 BHEF biogenic,in-vitro CC(C)=C1C=C2[C@@H](CC[C@H]2C)[C@@H](C)CC1=O 15264627 QOVRUHNFLAHBBB-WOPDTQHZSA-N 218.340 3.904 30 1 BHEF biogenic C=C1[C@H](O)C[C@H](C(C)C)[C@@]12CC=C(C)CC2 14413188 NROQFHKUAQVZGM-RBSFLKMASA-N 220.356 3.696 30 1 BHEF biogenic,in-vitro C=C(C)C[C@H](O)C[C@@H](C)c1ccc(C)cc1 2356402654 MUXJDCRAAKAIMK-HIFRSBDPSA-N 218.340 3.816 30 1 BHEF C=C1[C@H]2CC[C@@H]([C@H]2OC)[C@]1(C)C1CCCC1 2356546529 MRWBLGJMKSZDFI-QPSCCSFWSA-N 220.356 3.794 30 1 BHEF CC1=CCC[C@]2(C)CC[C@]3(C(C)C)O[C@H]3[C@H]12 2356559929 PRQISQJIVNJQOR-BYNSBNAKSA-N 220.356 3.936 30 1 BHEF C=C1[C@@H]2O[C@@H]2C=C(C)CC[C@@H]2[C@H]1CC2(C)C 2356672836 ZNEXISBKZUKEQK-DGAVXFQQSA-N 218.340 3.712 30 1 BHEF O=C(CCCCCCS)Nc1ccccc1 13609304 CFKBMXXDXYFDET-UHFFFAOYSA-N 237.368 3.505 30 1 BHEF in-vivo C=CCCCC/C=C/C=C/C#CC#C[C@@H](O)CC 238769463 CHURXZSRNKTJKF-LKCIYOFESA-N 242.362 3.623 30 1 BHEF CC(=O)C=CC=CC=CC=Cc1ccccc1 2356616503 ZEWIVXFRPUFJSZ-UHFFFAOYSA-N 224.303 3.957 30 1 BHEF C=C(C)[C@@H]1CC[C@H](C)[C@@]12C=C[C@](C)(O)CC2 13307431 JQFWFUWDWKVTCC-AJNGGQMLSA-N 220.356 3.696 30 1 BHEF biogenic C=CCN[C@@H]1C(c2ccccc2)=C[C@H]2CC[C@@H]1C2 27655533 NCYMZGFOAAWUDD-LXZKKBNFSA-N 239.362 3.644 30 1 BHEF C=C(C)[C@@H]1CC[C@](C)(O)[C@H]2CC=C(C)[C@H]2C1 2356624054 QKHYXKLHIXEAGP-KBXIAJHMSA-N 220.356 3.696 30 1 BHEF C#CCc1c[nH]c2cc(CC=C(C)C)ccc12 2356796255 NAFDDEZNRLUAHZ-UHFFFAOYSA-N 223.319 3.852 30 1 BHEF CC1=CC[C@@H](C2=CC[C@]3(CC2)CO3)C1(C)C 64624739 SRNBAOJKZYTEEY-ZFWWWQNUSA-N 218.340 3.858 30 1 BHEF in-vitro C=C(C)C[C@@H](O)C[C@@H](C)c1ccc(C)cc1O 238787318 OVDFVUUIIKUOSJ-CHWSQXEVSA-N 234.339 3.521 30 1 BHEF CC(C)(C)Cc1[nH]c2cc(F)ccc2c1C#N 587635974 VPUKTVUSRAIQMG-UHFFFAOYSA-N 230.286 3.767 30 1 BHEF C=CCC(C)(C)c1nc2ccc(F)cc2[nH]1 587954163 GKSXGPYHMHKZNO-UHFFFAOYSA-N 218.275 3.556 30 1 BHEF CC1=CC[C@H](C2=CCC[C@@H](C=O)C2)C1(C)C 64624720 UHFUWRDULSRXQB-TZMCWYRMSA-N 218.340 3.904 30 1 BHEF in-vitro CC(C)=C1C[C@@]2(C)C(=CC1=O)C=CC[C@@H]2C 101263739 GJRMMIPVUBOMCF-XHDPSFHLSA-N 216.324 3.824 30 1 BHEF C=C(C)[C@@H]1CCCC2=C3[C@H](C[C@@H](C)[C@H]3C1)OC2=O 2356352817 CARIPAAQQKWUCB-OXHZDVMGSA-N 246.350 3.631 30 1 BHEF C=CC=CCCC=CC=CC#CC=C[C@@H](O)CC 2356754803 MVKBONQMBUOZPH-KRWDZBQOSA-N 242.362 3.952 30 1 BHEF C=C[C@@]1(C)C=C2OC(=O)C(C)=C2C[C@@H]1C(=C)C 2356794781 LKYACQYLIXCXCR-DOMZBBRYSA-N 230.307 3.532 30 1 BHEF C=C(C(=O)O)[C@@H]1CC[C@@H](C)[C@@H]2CCC(C)=C[C@H]21 14918130 PLQMEXSCSAIXGB-VZZFWQQMSA-N 234.339 3.646 30 1 BHEF C=CCN1CCC2(CCCc3ccccc32)CC1 13455502 XEBDWKMBEAUGGR-UHFFFAOYSA-N 241.378 3.543 30 1 BHEF C=C1CN2[C@H]3CC[C@@H]2C[C@H](c2ccc(C)cc2)[C@@H]13 26822207 BMNNHOAPHMYHIH-WCXIOVBPSA-N 239.362 3.501 30 1 BHEF C=C(CO)[C@@H]1CC[C@H]2CCC[C@@H](C)[C@@]2(C)C1 33952419 YFKUAXRWMHKXSN-KBUPBQIOSA-N 222.372 3.778 30 1 BHEF C=C(C)[C@@H]1CC[C@H](C)[C@H]2CC(=O)C(C)=C2C1 95911805 CESATEXQMONATC-CYZMBNFOSA-N 218.340 3.904 30 1 BHEF biogenic,in-vitro C=C(C)[C@H]1CC[C@](C)(c2coc(C)c2)O1 238733601 IZZDJZPSWDSRPI-CHWSQXEVSA-N 206.285 3.558 30 1 BHEF C=C(CC)[C@@H]1C[C@@H](C(C)(C)O)C=CC1(C)C 2356382059 LLKXNMNOHBQSJW-STQMWFEESA-N 222.372 3.942 30 1 BHEF C=C1[C@H](OC(C)=O)C[C@@H]2C[C@@H]3CCC(C)(C)[C@@H]3[C@H]12 2356786366 AOIWPSLNQPLIFJ-AHDPXTMNSA-N 248.366 3.567 30 1 BHEF C=C1C[C@H]2O[C@]2(C)CC[C@@H]2[C@@H]1CC2(C)C 3978661 AMTSLHRSERHBCF-HKUMRIAESA-N 206.329 3.546 30 3 BHEF in-vitro C/C(=N\c1ccc(C)c(C)c1)C1=C(O)CCC1=O 101506906 WMRZZNDEDWBWJA-LFIBNONCSA-N 243.306 3.571 30 1 BHEF C/C=C\C#CC#C/C=C\C=C/CCCCCCO 221224697 CGLLCCUJRHGHTR-JGFRUSCUSA-N 242.362 3.625 30 1 BHEF C=C1[C@@H]2CC[C@@]3([C@@H]1O)C(C)(C)CCC[C@]23C 238781801 CDFNWOUSIGULGW-CTHBEMJXSA-N 220.356 3.530 30 1 BHEF C=C(C)[C@@H]1CC[C@]2(C)[C@H](O)CCC(=C)[C@H]2C1 257398053 CORHHSPHLRPKPM-TUVASFSCSA-N 220.356 3.696 30 1 BHEF CCCCCCCC=CCC#CC#CC=CCO 2356592783 KJUXJIQGIJBGRT-UHFFFAOYSA-N 244.378 3.849 30 1 BHEF C/C=C/C#CC#C/C=C\C=C/CCCCCCO 221224764 CGLLCCUJRHGHTR-LAFHTPKLSA-N 242.362 3.625 30 1 BHEF C/C=C(\C)C#Cc1cc(Cl)ccc1OC 587898378 HGQODTXNQBCQTC-ONNFQVAWSA-N 220.699 3.666 30 1 BHEF CC1=CC(=O)[C@@H]2C[C@]13C[C@@H](C(C)C)CC[C@@]23C 69482460 JIVNCYKRHXSPEU-DARAHFNDSA-N 232.367 3.984 30 1 BHEF biogenic,in-vitro C/C1=C/CCC(=O)/C=C\[C@H]2[C@@H](CC1)C2(C)C 102945244 WCZCSOXIWRFHNZ-UPQREJAMSA-N 218.340 3.904 30 1 BHEF COC1=C(C)CC2(CC1)C(C)=CC(=O)C=C2C 198470667 VHEOMYBFCLPZKF-UHFFFAOYSA-N 232.323 3.552 30 1 BHEF C#Cc1cccc(-c2nc3ccc(C)c(C)c3[nH]2)c1 586881760 ZDFSCIJIDLYWFZ-UHFFFAOYSA-N 246.313 3.828 30 1 BHEF C=C1CC[C@H](C(C)C)[C@@H]2C[C@H](C)C(=O)C[C@H]12 2356459036 YXYPLDHJBJSHKO-DGAVXFQQSA-N 220.356 3.840 30 1 BHEF C[C@@H]1CC(=O)C=C(Nc2cccc(Cl)c2)C1 38254958 OLBQAOCLHNMLKM-VIFPVBQESA-N 235.714 3.635 30 1 BHEF O=CCc1cc2ccccc2c2ccccc12 98207785 GLWZSGUBBSQBKG-UHFFFAOYSA-N 220.271 3.734 30 1 BHEF in-vitro C=C(C)[C@H]1CC(=O)C2=CCC[C@H](C)[C@@]2(C)C1 238775733 BSUGIIZTULADOL-SLEUVZQESA-N 218.340 3.904 30 1 BHEF C=C(C)C1=CC(=O)[C@@H](C)[C@@H]2CCC(C)=C[C@H]12 523041518 IOWYPXJMCFZBEY-OBJOEFQTSA-N 216.324 3.680 30 1 BHEF biogenic C=C(C)C=Cc1cccc2[nH]cc(C=O)c12 2356535478 AXOXRKLGTGXWJN-UHFFFAOYSA-N 211.264 3.570 30 1 BHEF CC(C)C1=CC[C@]2(C)CCC[C@H](C)[C@@]23O[C@H]13 2356608148 GPSWCNUIGKDSHT-ATGSNQNLSA-N 220.356 3.936 30 1 BHEF C=C(CCCC(C)C)CCOC(=O)CC 169622398 HZTKMMXHERVWFC-UHFFFAOYSA-N 212.333 3.712 30 1 BHEF C=C1CC[C@H](C(C)C)[C@H](O)[C@@H]2[C@H](C)CC[C@@H]12 2356670515 QVZYHISQRYCOFW-QMIVOQANSA-N 222.372 3.632 30 1 BHEF C=C1[C@@H]2CC[C@@H](C2)[C@@]1(C)CC/C=C(\C)CO 33985315 OJYKYCDSGQGTRJ-BFONTGBQSA-N 220.356 3.698 30 1 BHEF endogenous,in-man CC1=C[C@H]2C(=C(C)C)C(=O)C=C(C)[C@H]2CC1 146359008 WFCQRHPAVQIDTH-CHWSQXEVSA-N 216.324 3.824 30 1 BHEF C=C[C@H](C/C=C\CCCCC)OC(C)=O 36456445 UGBVCTPSHZAOJV-ASCRHOAZSA-N 210.317 3.631 30 1 BHEF C=C1CCC[C@@]2(C)CC[C@H]3C[C@@]12O[C@@H]3C 2356416511 WGUNTNPJVPKOEM-ZOBORPQBSA-N 206.329 3.690 30 1 BHEF CC1=CC(=O)C=C2C=C[C@@H](C(C)C)C[C@@]12C 33832927 YKYFDKNMHUSVIH-DOMZBBRYSA-N 216.324 3.680 30 1 BHEF biogenic,in-vitro CCCCCCCCC=C[C@@H]1CCC(=O)O1 2356609990 QTGIYXFCSKXKMO-CYBMUJFWSA-N 224.344 3.999 30 1 BHEF C=C(C)[C@@H]1CC2=C(CC[C@@H]2C)[C@@H](C)C[C@@H]1O 15264271 BRFKQPRYMGBIFJ-UHXUCMFUSA-N 220.356 3.696 30 1 BHEF biogenic C=C1CCC[C@@]2(C)CC[C@@H](C(C)C)[C@H]2[C@H]1O 38813021 WILHOAUMXSHURF-AJNGGQMLSA-N 222.372 3.776 30 1 BHEF CC1=CC[C@@]23C[C@H]1[C@](C)(C=O)[C@@H]2CC[C@H]3C 2356472012 IIRSXUDXJJMDJP-MRLBHPIUSA-N 218.340 3.594 30 1 BHEF CC1=C[C@@H]2[C@H](CC1=O)C(C)=CC[C@@H]2C(C)C 3978621 LMILVXQXGKTFSZ-MCIONIFRSA-N 218.340 3.760 30 3 BHEF biogenic,in-vitro C=C1C[C@@H]2O[C@@]2(C)CC[C@@H]2[C@@H]1CC2(C)C 3978660 AMTSLHRSERHBCF-NMKXLXIOSA-N 206.329 3.546 30 3 BHEF in-vitro C=C(C)[C@H]1CC[C@@]2(C)CCC[C@@H](C)N2C1 95920547 YWWMOEVECQBYFY-HZSPNIEDSA-N 207.361 3.606 30 1 BHEF in-vitro C=C[C@@]1(C)CC(=O)C(C(C)C)=C[C@@H]1C(=C)C 238743945 RZWNNDIESGRUHW-HIFRSBDPSA-N 218.340 3.926 30 1 BHEF C/C=C1/C/C=C(\C)CC/C=C(\C)CC1=O 238755676 UYHHSOGEWRDLDE-AQUHWSKRSA-N 204.313 3.968 30 1 BHEF C=C1C=C[C@H](C(C)C)CC(=O)[C@H](C)C=CC1 2356727391 MXBCSENLKQWEHH-KGLIPLIRSA-N 218.340 3.926 30 1 BHEF C=C(C)C1=CC(=O)C2=C(OC1=C)[C@@H](C)CCC2 13396867 LIKVZNBOYGRKRL-JTQLQIEISA-N 230.307 3.676 30 1 BHEF biogenic C=C[C@H](O)C#CC#C/C=C/C=C/CCCCCC 238737189 VQLVMDURNHLTBU-LKCIYOFESA-N 242.362 3.623 30 1 BHEF CC1=CC(=O)[C@H]2[C@H]3[C@H]1[C@@]2(C)CCCC3(C)C 257467680 KTPOZFYJWLGJGH-RMRHIDDWSA-N 218.340 3.594 30 1 BHEF endogenous,in-man C=C1CCC2=C(C)Cc3occ(C)c3C[C@@H]12 15160975 SWKHLQBXHZYJOP-ZDUSSCGKSA-N 214.308 3.969 30 1 BHEF biogenic O=C1/C(=C/c2ccc(Cl)o2)Oc2ccccc21 1857644988 NWYDZZXRQRLPPW-XFFZJAGNSA-N 246.649 3.549 30 1 BHEF C=C1CCCC(C)=C[C@@H]2OC(=O)[C@@H](C)[C@@H]2CC1 2356330754 UZVSMYIAXFVOFU-IHRRRGAJSA-N 234.339 3.631 30 1 BHEF C=C1CC[C@H](O)[C@]2(C)CC[C@@H](C=C(C)C)[C@H]12 14618393 CZFKRGCIADMIRY-AJNGGQMLSA-N 220.356 3.696 30 1 BHEF biogenic C=C(C)[C@H]1C=C2[C@](C)(O)CCC[C@]2(C)CC1 15207216 NZGMCTHRDPVWIP-BPLDGKMQSA-N 220.356 3.840 30 1 BHEF biogenic,in-vitro C=C(C)[C@@H]1CC[C@]2(C=C(C)C(=O)C[C@@H]2C)C1 2356587118 YYZGYGHTZBOPEE-GUTXKFCHSA-N 218.340 3.904 30 1 BHEF C=C(C)[C@H]1CC[C@@]2(C)CC[C@@H](O)C(=C)[C@@H]2C1 15207087 CZFHAODYOVXPIQ-XQLPTFJDSA-N 220.356 3.696 30 1 BHEF endogenous,in-man C#Cc1cccc(-c2nc3ccc(C)cc3[nH]2)c1 586881613 YMPQKLUBECCRFJ-UHFFFAOYSA-N 232.286 3.520 30 1 BHEF C=CCC(C)(C)c1nc2ccc(F)c(C)c2[nH]1 587954487 XBUDVXHDARLHNG-UHFFFAOYSA-N 232.302 3.864 30 1 BHEF C=C(C)[C@@H]1CC2=C(C)CCC[C@]2(C)C[C@@H]1O 2356578746 DEJQXLRIIOLSAB-AEGPPILISA-N 220.356 3.840 30 1 BHEF O/N=C1\[C@H]2CC=C(c3ccccc3)[C@H]1CCC2 104289378 DJWAKEWVSIKTCV-KNXNWKDLSA-N 227.307 3.720 30 1 BHEF C/C=C/C#CC#C/C=C/C=C/CCCCCCO 238741594 CGLLCCUJRHGHTR-MMOYHAHMSA-N 242.362 3.625 30 1 BHEF C=CC(=O)C=CC#CC=CC=CCCCC 2356507403 UWQSXRZVTSAVJI-UHFFFAOYSA-N 214.308 3.604 30 1 BHEF C=C[C@](C)(O)C[C@@H]1C=C(C)CC[C@H]1C(=C)C 14560017 KPDSVTXZHWEKOQ-KKUMJFAQSA-N 220.356 3.862 30 1 BHEF biogenic CC(C)=C1C[C@H]2[C@]3(C)CCC[C@@]2(C)[C@@H]3C1=O 238743207 BBZWSYDKASNBSO-YUIHPSJSSA-N 218.340 3.738 30 1 BHEF C=C1C=CC[C@@]2(C)CC[C@H](C(C)(C)O)C[C@H]12 238746359 LCAVWJONSITSBE-GUTXKFCHSA-N 220.356 3.696 30 1 BHEF CCC/C=C\C(=O)c1coc2ccccc12 587280681 RNEYBMVSHJGJGG-YWEYNIOJSA-N 214.264 3.972 30 1 BHEF CC#Cc1nc2ccc(Oc3ccccc3)cc2[nH]1 587953856 VGMRMLQGCUWYBJ-UHFFFAOYSA-N 248.285 3.727 30 1 BHEF CC(C)=CC(=O)CC(C)=CCCC(C)=CCO 2356415754 VCXVMWVWGVWZPY-UHFFFAOYSA-N 236.355 3.577 30 1 BHEF C=C(C)[C@H]1CC[C@H](C)[C@H]2CCC(CO)=C[C@H]12 13381269 WLYWLGVSETTZFS-ZGKBOVNRSA-N 220.356 3.554 30 1 BHEF CC1=CC(=O)[C@@H]([C@@H](C)CCC[C@H](C)C=O)CC1 238750806 XHFLMXWCAVSQNH-MELADBBJSA-N 236.355 3.553 30 1 BHEF C=C1CC[C@H]2C[C@H]1[C@]2(C)CCC=C(C)C(=O)O 2356609227 SAMAJCLBXKAWIT-GZBFAFLISA-N 234.339 3.790 30 1 BHEF Cc1cccc(N/N=C/c2c[nH]c3ccccc23)c1 7932217 XVOWEBAZMSTPSZ-WOJGMQOQSA-N 249.317 3.922 30 1 BHEF C=C1C[C@@H]2O[C@]2(C)CC[C@H]2[C@@H]1CC2(C)C 8681426 AMTSLHRSERHBCF-OWTLIXCDSA-N 206.329 3.546 30 1 BHEF biogenic C=C(CO)[C@@H]1CC[C@H](C)[C@H]2CCC(C)=C[C@H]12 13381257 CZSSHKCZSDDOAH-ATGSNQNLSA-N 220.356 3.554 30 1 BHEF biogenic C=C[C@]1(C)CC[C@@H]([C@](C)(O)CCC=C(C)C)O1 15160362 OIVTVPOJCWXSIC-RRFJBIMHSA-N 238.371 3.608 30 1 BHEF biogenic C/C=C\C=C\C#C/C=C\C=C/CCCC=O 221227439 YRJCRFXFMYBQRP-MYUBABPZSA-N 214.308 3.604 30 1 BHEF C[C@@H]1CC2=CC(=O)CCN2c2ccc(Cl)cc21 3963468 UXLGYJWIWHMDNY-SECBINFHSA-N 247.725 3.510 30 1 BHEF CCc1[nH]c2c(C)cc(Cl)cc2c1C#N 587624145 DZYYJWKABQWXOZ-UHFFFAOYSA-N 218.687 3.564 30 1 BHEF C=C1[C@H]2CC[C@@H]([C@@H]2OC)[C@@]1(C)C1CCCC1 2356546527 MRWBLGJMKSZDFI-LXTVHRRPSA-N 220.356 3.794 30 1 BHEF N#C[C@@H]1C(=N)c2ccccc2CC12CCCCC2 50487 OVWIQDDXLXUHBL-CQSZACIVSA-N 238.334 3.701 30 1 BHEF CC1(C)[C@@H]2C/C(=C\c3ccccc3)C(=O)[C@H]1C2 5757366 NKWTXASMNZHMLU-DXIMFJFMSA-N 226.319 3.705 30 1 BHEF C=C1CCC[C@]2(C)CC[C@H]3C[C@@]12O[C@@H]3C 2356416510 WGUNTNPJVPKOEM-XJFOESAGSA-N 206.329 3.690 30 1 BHEF C=C(C)[C@@H]1CC[C@@]2(C=CC(=O)C[C@H]2C)C1 2356507805 HPMLWJWXLHFPSW-YRGRVCCFSA-N 204.313 3.514 30 1 BHEF C=C1CCC=C(C)CC[C@@H]2[C@@H]([C@@H]1O)C2(C)C 2356580997 HDPSCJCUYZMNFI-HZSPNIEDSA-N 220.356 3.696 30 1 BHEF C#CC(C#C)=C1CCC(N(CCC)CCC)CC1 13805529 CFCGTXOJJUJIIE-UHFFFAOYSA-N 243.394 3.614 30 1 BHEF C=CCc1cc(OCCCC)ccc1OC 103281962 YHJKEGHINKOAAE-UHFFFAOYSA-N 220.312 3.603 30 1 BHEF C=C[C@]1(C)CCC=C(C)CC[C@@H](C(C)(C)O)O1 253779070 LWYUSWLRBKNRLB-DZGCQCFKSA-N 238.371 3.608 30 1 BHEF CC1=C[C@]2(C)CCCC(C)(C)[C@H]2CC1=O 14614796 FXFDPILDESFQAO-OCCSQVGLSA-N 206.329 3.738 30 1 BHEF biogenic C=CCC(C)(C)c1nc2cc(F)cc(F)c2[nH]1 587954303 ODCLXKVDQDPYJJ-UHFFFAOYSA-N 236.265 3.695 30 1 BHEF C=CCCCC[C@@H]1O[C@@H]1C=CC#CC#CC=CC 2356563961 GRIRFVRSWUHHTQ-DLBZAZTESA-N 240.346 3.639 30 1 BHEF CCC1=Nc2ccccc2NC2=C1C(=O)CCC2 101473161 CWQJOBFAFVJZIG-UHFFFAOYSA-N 240.306 3.602 30 3 BHEF C=C(C)[C@@H]1CC(=O)C(C)=C2CC[C@@H](C)[C@@H]2C1 15264562 YMXAKLYWISOQCM-OSMZGAPFSA-N 218.340 3.904 30 1 BHEF biogenic C=C1CC[C@H]2O[C@@]2(C)CC[C@@H]2[C@@H]1CC2(C)C 34062226 NVEQFIOZRFFVFW-BHPKHCPMSA-N 220.356 3.936 30 1 BHEF biogenic,in-vitro CC(C)=CCC1=C(C)[C@@H](O)c2ccccc2C1=O 94437866 PXIPYHVOWDEAMD-OAHLLOKOSA-N 242.318 3.589 30 1 BHEF in-vitro,metabolite C[C@@H]1CC[C@H]2C(C)(C)C[C@]3(C)C(=O)C=C[C@@]213 238777770 YMOJPIGWKYEAQC-BVIHXZOGSA-N 218.340 3.594 30 1 BHEF CC1=C2C(=O)[C@@H]3CC[C@H](C)[C@@]2(CC1)C3(C)C 14637875 JAWSHISYWRRQQQ-ZIBATOQPSA-N 218.340 3.738 30 1 BHEF endogenous,in-man C/C=C/C=C/C#C/C=C/C=C/CCCC=O 238779375 YRJCRFXFMYBQRP-BDPLZKCDSA-N 214.308 3.604 30 1 BHEF C=C(C)[C@@H]1[C@H](O)C=C(C)[C@@H]2CC[C@H](C)C[C@H]21 13381297 VSKFQHOVPUQNSE-MQFWEAQZSA-N 220.356 3.552 30 1 BHEF biogenic C=C(C)[C@@H]1CC[C@@]2(C)CC=C(C(=O)O)CC[C@H]12 13432049 XGIXSMYBMGPSNO-GZBFAFLISA-N 234.339 3.790 30 1 BHEF biogenic C=C(C)[C@@H]1CC[C@@H]2C(=O)CC[C@@H](C)[C@]2(C)C1 15201145 YHPOLTFUARNADB-BHPKHCPMSA-N 220.356 3.984 30 1 BHEF endogenous,in-man C=C(C)[C@@H]1Cc2cc(OCC=C(C)C)ccc2O1 2356647188 FAJQLHWCSASARQ-INIZCTEOSA-N 244.334 3.911 30 1 BHEF C=C(C)[C@H](O)CC[C@@H](C)c1ccc(C)c(O)c1 13377468 CDFYSXHPCPFPAR-BXUZGUMPSA-N 234.339 3.521 30 1 BHEF biogenic CC1=C2C[C@H](C)c3cc(C)ccc3N2CCC1=O 13813862 VJNBCORATKDAPO-NSHDSACASA-N 241.334 3.555 30 1 BHEF C=C(C)[C@@H]1C[C@@H]2C(=C)CCC[C@@]2(C)C[C@@H]1O 15207106 QNUXLPRGLOLFHE-XGUBFFRZSA-N 220.356 3.696 30 1 BHEF biogenic C=C(C)[C@@H]1CC[C@]2(C)OC(=O)C(=C(C)C)C[C@H]12 13384241 ZZEKLJSJUUZCFB-LNSITVRQSA-N 234.339 3.631 30 1 BHEF biogenic C=C1C=C[C@@H](C(C)C)CC(=O)[C@H](C)C=CC1 2356727396 MXBCSENLKQWEHH-ZIAGYGMSSA-N 218.340 3.926 30 1 BHEF C=C[C@]1(C)CC[C@@H]([C@H](C)c2ccc(C)o2)O1 13432715 RZQBBGYIEUNQIV-KWCYVHTRSA-N 220.312 3.815 30 1 BHEF biogenic C=C(C)[C@H]1CC[C@]2(C)CC[C@@H](O)C(=C)[C@@H]2C1 15207092 CZFHAODYOVXPIQ-BYNSBNAKSA-N 220.356 3.696 30 1 BHEF endogenous,in-man C=C1CC/C=C(\C(=O)O)CC[C@H]2[C@H]1CC2(C)C 32069518 NXPSZVSYBXSYPZ-ISGXEFFDSA-N 234.339 3.790 30 1 BHEF C=C(C)[C@]12CC[C@](C)(O1)[C@@H]1CCC(C)=C[C@H]1O2 34440870 ZMHISHRHYGBSCM-KBXIAJHMSA-N 234.339 3.583 30 1 BHEF CCCCCCC/C=C/C(=O)N1CCCC1 103206636 ZVNTUMRMHPATSG-DHZHZOJOSA-N 223.360 3.526 30 1 BHEF O=c1ccc2ccc(/C=N/c3ccccc3)cc2o1 27714944 AEWCQXVOGPQULX-GZTJUZNOSA-N 249.269 3.544 30 1 BHEF C=C(CO)[C@@H]1CC[C@@H]2CCC[C@H](C)[C@@]2(C)C1 33952418 YFKUAXRWMHKXSN-LJISPDSOSA-N 222.372 3.778 30 1 BHEF C=C1CC[C@@H](C(C)C)[C@H]2CC(CO)=CC[C@H]12 215696030 OGGSHCXHHJBPCN-RRFJBIMHSA-N 220.356 3.554 30 1 BHEF C=C1CCC[C@]2(C)CC[C@@H](c3cc3=O)C[C@@H]12 238748120 SIQVVJZAJWQLNM-OSAQELSMSA-N 216.324 3.553 30 1 BHEF CC(=O)C=C[C@H]1C(C)=CC[C@@H](C)C1(C)C 2356446443 JZQOJFLIJNRDHK-YPMHNXCESA-N 206.329 3.760 30 1 BHEF C=C1CCC[C@H]2O[C@]2(C)C[C@@H]2[C@@H]1CC2(C)C 238743203 MOYYYOOVDGFOGG-RGCMKSIDSA-N 220.356 3.936 30 1 BHEF C=C[C@](C)(O)CC1=C(C(=C)C)CCC(C)=C1 14560022 ZIVKTIMZADKFSV-HNNXBMFYSA-N 218.340 3.926 30 1 BHEF endogenous,in-man C=C1CCC[C@@]2(C)CC[C@H](C(C)C)[C@@H](O)[C@@H]12 15209488 MSJJKJCIFIGTJY-TUVASFSCSA-N 222.372 3.776 30 1 BHEF endogenous,in-man Oc1coc2cc(C#Cc3ccccc3)ccc12 169724557 SZMPZIGCFVGKAJ-UHFFFAOYSA-N 234.254 3.538 30 1 BHEF C=C(C)[C@@]12CC[C@]3(C=CC[C@@H](C)[C@]3(C)C1)O2 33950686 QDVFFOQYCXJEMT-BARDWOONSA-N 218.340 3.857 30 1 BHEF C=C(C)[C@@H]1C[C@H](O)[C@@]2(C)CCCC(=C)[C@H]2C1 2356585766 BFMDGLARCCRBDW-XGUBFFRZSA-N 220.356 3.696 30 1 BHEF CC=CCCC1=C(C)C(=O)c2c(C)coc2C1=O 2356596177 GKCCDKCMOMUYMA-UHFFFAOYSA-N 244.290 3.640 30 1 BHEF C=C(C)C1=CC(=O)[C@@]2(CCC[C@H]2C)C(C)=C1 13397030 SKDDSQYBUAWHTP-IAQYHMDHSA-N 216.324 3.824 30 1 BHEF biogenic Cc1coc2c1C[C@]1(C)C(=CCC[C@H]1C)C2=O 15221452 FAPYHJULXRNNQD-BMIGLBTASA-N 230.307 3.689 30 1 BHEF biogenic C=C[C@@]1(C)CC[C@H](C(C)=C2C=CC(C)(C)O2)O1 2356471550 ZFMNPTVNDZBEHA-HIFRSBDPSA-N 234.339 3.749 30 1 BHEF CCCCCC#CC#CCCCCCCC(=O)O 33822196 YVVALSGUCTYOJK-UHFFFAOYSA-N 248.366 3.999 30 1 BHEF CC1=CC[C@@H](C2=CCC[C@H](C=O)C2)C1(C)C 64624718 UHFUWRDULSRXQB-JSGCOSHPSA-N 218.340 3.904 30 1 BHEF in-vitro C=C(C)[C@H]1CC[C@@H](C)C2=C(C1)[C@@H](C)CC2=O 85827089 NUWMTBMCSQWPDG-WOPDTQHZSA-N 218.340 3.904 30 1 BHEF in-man CC1=CC[C@]2([C@H](C)CC[C@@H]3OC3(C)C)C[C@H]12 2356606333 MAJHBVOOMZYAJX-GUIRCDHDSA-N 220.356 3.936 30 1 BHEF C[C@@H]1CC[C@@H]2C[C@@]3(C)O[C@@H]3CC(C)(C)C=C12 2356847948 PAZDNVMMYDTDQZ-NLRBGTRBSA-N 220.356 3.936 30 1 BHEF C=C1CCCC(C)(C)[C@H]1/C=C/C(C)=C\CO 15120087 IMXZGMHVWXWJPL-VZTBNBETSA-N 220.356 3.864 30 1 BHEF N#Cc1ccc(SC2CCCCC2)cc1C#N 95559809 CXESXUITUZNGLQ-UHFFFAOYSA-N 242.347 3.855 30 1 BHEF C[C@@H]1CC[C@]23O[C@]2(C)CC[C@@H]2[C@@H]([C@H]13)C2(C)C 2356444234 OZNHATCGPKOFBH-ZOMUANAPSA-N 220.356 3.626 30 1 BHEF C=C(C)C(=O)/C=C/c1ccc(C(F)(F)F)cc1 8860568 VGOABJFYARPEAE-VMPITWQZSA-N 240.224 3.864 30 1 BHEF C=C(C)[C@@H]1C[C@H](O)C2=CCC[C@H](C)[C@]2(C)C1 15200596 DPDBSHAVHRQWMU-NEBZKDRISA-N 220.356 3.696 30 1 BHEF biogenic C=C1[C@H]2C[C@H](C(=C)C)CC[C@@]2(C)CC[C@H]1O 40950270 CZFHAODYOVXPIQ-TUVASFSCSA-N 220.356 3.696 30 1 BHEF CC1=C2C[C@H]3CC[C@H]4CC=C[C@H](C1=O)[C@@]24C3(C)C 2356367316 AKTRBMPSJRIWDY-HPTBWKMGSA-N 242.362 3.904 30 1 BHEF C=C[C@@]1(C)CC[C@@H](C(C)=C2C=CC(C)(C)O2)O1 2356471554 ZFMNPTVNDZBEHA-ZFWWWQNUSA-N 234.339 3.749 30 1 BHEF C=C(C)[C@H]1CC[C@]2(C1)C(C)=CC(=O)C[C@@H]2C 967556 FGCUSSRGQNHZRW-YDHLFZDLSA-N 218.340 3.904 30 1 BHEF endogenous,in-man CCCC/C=C/[C@]1(C)SC(=O)C(C)=C1O 101122611 ZTFVKDBRMHIWTA-GUOLPTJISA-N 226.341 3.597 30 1 BHEF C=C(C)[C@@H]1CC[C@@](C)(O)[C@@H]2CC[C@H](C)[C@H]2C1 33833351 VYOZKWKETGHHDW-NJVJYBDUSA-N 222.372 3.776 30 1 BHEF endogenous,in-man N#Cc1cc2ccsc2n2c1nc1ccccc12 49807888 BSCZYYHQLWQQBZ-UHFFFAOYSA-N 249.298 3.574 30 1 BHEF C=CCCCC/C=C/C=C\C#CC#CC#CC 169062196 LEQCZKIMKYGCIQ-NPALGEPZSA-N 222.331 3.875 30 1 BHEF C#Cc1cccc(-c2nc3cccc(C)c3[nH]2)c1 586881252 VJLWWRCZQVUFDW-UHFFFAOYSA-N 232.286 3.520 30 1 BHEF CC1=CC=C[C@]2(C)C[C@@H]2C(=C(C)C)C(=O)C1 2356550850 LKVXZMOEBUURAJ-IUODEOHRSA-N 216.324 3.824 30 1 BHEF CCCCCCCCCCCC(=O)CCO 44358728 UBCVTAPCCQRPJS-UHFFFAOYSA-N 228.376 3.859 30 1 BHEF C=C1CC[C@H]2[C@H](C(=C)C)CC[C@]2(C)C[C@@H]1O 238762914 KNGFBLYDZOXQMM-ZQDZILKHSA-N 220.356 3.696 30 1 BHEF N#Cc1ccc2nc(-c3ccoc3C3CC3)[nH]c2c1 586901317 JVYMIULMCIJJCJ-UHFFFAOYSA-N 249.273 3.572 30 1 BHEF C=C1Cc2occ(C)c2C[C@H]2C(=C)CC[C@@H]12 15160977 IYXVWVHLIFWPEX-STQMWFEESA-N 214.308 3.825 30 1 BHEF biogenic CC1(C)C[C@@]23CC[C@H]1[C@]2(C)CC[C@H]1O[C@]13C 2356329901 BXKXWMWZABIJFN-NXRJPMIISA-N 220.356 3.770 30 1 BHEF C=C1/C=C/[C@H](C(=C)C)CCC(=C)C(=O)CC1 238741074 USAJSSQYNUIUHJ-GPAKFWEMSA-N 216.324 3.990 30 1 BHEF Cc1cc(Cl)cc2c(C#N)c(C3CC3)[nH]c12 587624136 DNUQPDLKNHYCEX-UHFFFAOYSA-N 230.698 3.879 30 1 BHEF C(=NC1CCCCC1)c1c[nH]c2ccccc12 1857623245 IXWDHVDQGBWHON-UHFFFAOYSA-N 226.323 3.920 30 1 BHEF C=C(C)c1ccc(C)cc1OC(=O)/C(C)=C/C 14588616 MHVVYWCDJGNGIX-WUXMJOGZSA-N 230.307 3.900 30 1 BHEF biogenic,in-vitro CCCCN(CC)CC#CCCc1ccccc1 103242452 UCPBNXBTZVNUMZ-UHFFFAOYSA-N 243.394 3.745 30 1 BHEF COc1ccc(/C=C/c2ccc(C#N)cc2)cc1 137893700 KJLAYIXDHDQWMY-NSCUHMNNSA-N 235.286 3.737 30 1 BHEF C=C1CCC=C(C)[C@H](O)C[C@@H]2[C@H]1CC2(C)C 2356518373 OIEGRICJBAVBOD-BFHYXJOUSA-N 220.356 3.696 30 1 BHEF C=C(C)[C@@H]1CC[C@](C)(O)[C@@H]2CC=C(C)[C@H]2C1 2356624059 QKHYXKLHIXEAGP-TUVASFSCSA-N 220.356 3.696 30 1 BHEF C=C1C(=O)O[C@H]2/C=C(/C)CC/C=C(/C)CC[C@@H]12 13831217 HRYLQFBHBWLLLL-CDUOWVSSSA-N 232.323 3.551 30 1 BHEF endogenous,in-man C#Cc1cccc(-c2nc3ccc(CC)cc3[nH]2)c1 586880672 PWEHIMFRFFVIPO-UHFFFAOYSA-N 246.313 3.774 30 1 BHEF C=C(C)[C@@H]1CC=C2CC[C@H](O)[C@@H](C)[C@]2(C)C1 2356459630 TWGYXCCDWSORFO-UXOAXIEHSA-N 220.356 3.696 30 1 BHEF CC1(C)[C@@H]2C=CCC[C@@H]3O[C@@]3(C)CC[C@H]21 2356648217 SGNHFLIRMDBALK-NMKXLXIOSA-N 206.329 3.546 30 1 BHEF C=C(C)[C@@H]1CC[C@H](C)C[C@H]1OC(=O)CC(C)C 6037721 DDDQJEKRFARGEE-MELADBBJSA-N 238.371 3.957 30 1 BHEF biogenic C=C(C)[C@H]1CCC[C@@]2(C)CCC[C@@](C)(NC=O)[C@@H]12 14419620 JBJCEWWBNURZRA-FXUDXRNXSA-N 249.398 3.674 30 1 BHEF C=C[C@@]1(C)Cc2c(O)ccc(O)c2C[C@@H]1C(=C)C 13407862 HNLMYQMBFUBQON-CJNGLKHVSA-N 244.334 3.581 30 1 BHEF biogenic C=C1CC[C@H]2C[C@@H]1C(C)(C)C[C@@H](O)C=C2C 101648077 CXCWPODYESQSPM-IHRRRGAJSA-N 220.356 3.696 30 1 BHEF O=C1/C(=N\c2ccccc2)C=C(O)c2ccccc21 238785928 GAWWQRPONRAXSM-VKAVYKQESA-N 249.269 3.555 30 1 BHEF Cc1c([C@H](C)C#N)[nH]c2ccc(F)c(Cl)c12 587630290 INDBLGVQIYSEPP-ZCFIWIBFSA-N 236.677 3.896 30 1 BHEF C=C(C)[C@@H]1CC[C@]2(O)CCC[C@H](C)[C@]2(C)C1 15201098 YFAPBKDZQLGGMM-LJISPDSOSA-N 222.372 3.920 30 1 BHEF biogenic Cc1coc2c1C[C@@]1(C)C(=C2)C(=O)CC[C@@H]1C 15220989 VSDUSOQWCZPNDE-ZUZCIYMTSA-N 230.307 3.533 30 1 BHEF biogenic C=C(C)[C@@H]1CC[C@](C)(O)[C@@H]2CC[C@H](C)[C@@H]2C1 257587507 VYOZKWKETGHHDW-ZQNQSHIBSA-N 222.372 3.776 30 1 BHEF endogenous,in-man C[C@H]1C[C@H]1c1[nH]c2ccc(F)c(Cl)c2c1C#N 587629950 AOPZZYQRMHNJIO-NKWVEPMBSA-N 248.688 3.955 30 1 BHEF C=CCC[C@H](C/C=C(\C)CCO)C(C)C 33820536 IACZATYFQLYZJM-MAUPQMMJSA-N 210.361 3.944 30 1 BHEF C=C(C)[C@H]1C[C@H]2C(=C)CCC[C@]2(C)C[C@@H]1O 34613099 QNUXLPRGLOLFHE-CBBWQLFWSA-N 220.356 3.696 30 1 BHEF N#C[C@@H](c1ccc(F)cc1)c1cccc(Cl)n1 95872395 MTHMHHZAPZIWBE-NSHDSACASA-N 246.672 3.530 30 1 BHEF C=C(C)[C@@H]1CC[C@@]2(C)CCC[C@@](C)(O)[C@H]2C1 95918613 DPQYOKVMVCQHMY-LXTVHRRPSA-N 222.372 3.920 30 1 BHEF biogenic,in-vitro CC(C)=C1C=CC2=CC(=O)C[C@@H](C)[C@]2(C)C1 238762408 UVFKNVNRLTXQTO-ABAIWWIYSA-N 216.324 3.824 30 1 BHEF CC1=C[C@@H]2C(=C(C)C)CC[C@@H](C)[C@@H]2CC1=O 2356515015 WCBCKXJLRYPWHZ-DDTOSNHZSA-N 218.340 3.904 30 1 BHEF C=CCCCC[C@H]1O[C@H]1C=CC#CC#CC=CC 2356563964 GRIRFVRSWUHHTQ-SJORKVTESA-N 240.346 3.639 30 1 BHEF CC1=C2[C@@H](CC1=O)[C@H](C)CC[C@@H]1[C@H]2C1(C)C 13373012 ZEEUIOBUKGZKPS-JMLLCIOISA-N 218.340 3.594 30 1 BHEF C=C(C)[C@@H]1CC(=O)[C@]2(C)CCC=C(C)[C@H]2C1 15206871 NCURUZQWQGIRTM-GZBFAFLISA-N 218.340 3.904 30 1 BHEF biogenic CC1(C)[C@H]2CC[C@]1(C)/C(=N\Cc1cccnc1)C2 103286401 LVWFPBKKXDPCNA-CIBUDHOYSA-N 242.366 3.869 30 1 BHEF C=C/C=C/C=C/C(=C/C#CC#CC)SC 238780211 LABBLCKGUPHUSZ-HJQNFIAGSA-N 214.333 3.558 30 1 BHEF C=CC(C)(C)c1nc2ccc3ncccc3c2[nH]1 587955265 MCRRCOGIYIQHRF-UHFFFAOYSA-N 237.306 3.575 30 1 BHEF C=CCCCCCC=CCC#CC#CC(=O)C=C 2356603629 HLHBDMWPPKHNDQ-UHFFFAOYSA-N 240.346 3.831 30 1 BHEF C=C(C)[C@@H]1CC[C@@H]2C[C@@H](O)C[C@@H](C)[C@]2(C)C1 103290324 VHARGWWXMUPASZ-ZSAUSMIDSA-N 222.372 3.776 30 1 BHEF C=C(C)[C@H]1CC[C@H]2[C@H](C1)[C@H](C)CC[C@@]2(C)O 238773197 BUXOZBGFHXEDIJ-QKGCVVFFSA-N 222.372 3.776 30 1 BHEF C=C(C)[C@@H]1CC[C@@H]2C(=O)CC[C@H](C)[C@@]2(C)C1 85725644 YHPOLTFUARNADB-KYEXWDHISA-N 220.356 3.984 30 1 BHEF endogenous,in-man C#CCN(C)[C@H](C)CCCCCCCC 95544088 SYTFCSLHNXBWJU-CQSZACIVSA-N 209.377 3.691 30 1 BHEF C=CCCCCC=CCC#CC#CC(=O)CC=C 2356316773 OIADRRDZAXOFSU-UHFFFAOYSA-N 240.346 3.831 30 1 BHEF CCCCCCC[C@@]1(C)SC(=O)[C@H](C)C1=O 53685028 JESYAZYDCUETJK-ZWNOBZJWSA-N 242.384 3.584 30 1 BHEF C=C1CCC[C@@]2(C)CC[C@@H]3C[C@]12O[C@H]3C 85646378 WGUNTNPJVPKOEM-CRWXNKLISA-N 206.329 3.690 30 1 BHEF biogenic,in-vitro C=C1CC[C@H](C(C)C)C[C@H]2C(C)=CC[C@@]12O 2356717837 FUIREXPFHXOXGQ-SOUVJXGZSA-N 220.356 3.696 30 1 BHEF C=C(C)[C@H](CCC(C)=O)C[C@@H]1C(=O)CC[C@@H]1C 2356390276 WHTKPKGWGJXQOR-YUTCNCBUSA-N 236.355 3.553 30 1 BHEF C=C(C)[C@@H]1CC[C@@]2(C)C(=C(C)CC[C@@H]2O)C1 2356692626 FNPFLRZHHDQZCG-SNPRPXQTSA-N 220.356 3.840 30 1 BHEF C=C[C@@]1(C)CC[C@@H]([C@H](C)C(=O)CC=C(C)C)O1 5735379 FJKKZNIYYVEYOL-SNPRPXQTSA-N 236.355 3.672 30 1 BHEF endogenous,in-man CC#Cc1ccc(-c2ccc(C=O)s2)s1 14680529 ZEAXBOPUTILUGH-UHFFFAOYSA-N 232.329 3.661 30 1 BHEF biogenic CC(C)=CC(=O)/C=C(\C)CCC(=O)c1ccoc1 15221755 BPECSJWVNSQYFV-FMIVXFBMSA-N 246.306 3.724 30 1 BHEF N#Cc1c(C2CC2)[nH]c2ccc(F)c(Cl)c12 587630160 GDMDETCXWMFXCM-UHFFFAOYSA-N 234.661 3.709 30 1 BHEF C=C(C)[C@H]1CC[C@]2(C)O[C@]23CC[C@H](C)[C@@H]3C1 70454469 OQZCYVPJJHEMSP-YTFOTSKYSA-N 220.356 3.936 30 1 BHEF biogenic,in-vitro C=C1CCC[C@@H]2O[C@]2(C)C[C@H]2[C@@H]1CC2(C)C 2356505722 MOYYYOOVDGFOGG-UKTARXLSSA-N 220.356 3.936 30 1 BHEF CC1=CC(=O)[C@@H]2CC[C@H](C(C)C)[C@@]2(C)CC1 2356701213 YJMPMKVSGMSRFT-VNHYZAJKSA-N 220.356 3.984 30 1 BHEF C=CCCCCC[C@@H](O)C=CC#CC#CCCC 2356744454 IKJUXVQXXGIWRC-QGZVFWFLSA-N 244.378 3.847 30 1 BHEF C=CCCCC[C@@]1(C)SC(=O)C(C)=C1O 13678486 VHYQZNQCEOCRPW-GFCCVEGCSA-N 226.341 3.597 30 1 BHEF C/C=C/C=C/C(=O)OCCCCCCC 44280211 PVYDNTQQXSOPEP-HBWGMBCBSA-N 210.317 3.632 30 1 BHEF C=C1CCC[C@]2(C)CC[C@@H](C(C)C)C(=O)[C@@H]12 100778272 TYQALBNCJWAILN-GZBFAFLISA-N 220.356 3.984 30 1 BHEF endogenous,in-man C=CCc1cccc2nc(C(C)(C)C=C)[nH]c12 587954818 GCFUQTBTDCXGJT-UHFFFAOYSA-N 226.323 3.755 30 1 BHEF CC1=CC(=O)[C@H](C(C)C)CC[C@H](C)C(=O)CC1 2356509655 XAGZDWNJBFVXAE-STQMWFEESA-N 236.355 3.553 30 1 BHEF C=C1CC[C@@H]2C(=O)[C@]2(C)CC[C@H]2[C@H]1CC2(C)C 2356612061 SNVUDGMIDCJEIG-BCUIYNNISA-N 232.367 3.984 30 1 BHEF CC1(C)CC(O)=C/C(=N/Cc2cccs2)C1 104073830 JPGOEPGONGLRIN-UVTDQMKNSA-N 235.352 3.951 30 1 BHEF C=C1CC[C@H]2O[C@H]1[C@@H]1[C@@H](C(C)C)CC[C@]21C 257386305 BITBXAWCPCNKKN-UXXRCYHCSA-N 220.356 3.792 30 1 BHEF endogenous,in-man CC1=C[C@@H]2[C@@H](CCC(C)=CCC1)[C@]2(C)C=O 2356449517 PLERVCQIUZNKMR-KFWWJZLASA-N 218.340 3.904 30 1 BHEF CCC(=O)C=C[C@@H]1[C@@H](C)C=CCC1(C)C 2356691870 ZQJCPDKTEXSWTH-WCQYABFASA-N 206.329 3.760 30 1 BHEF Oc1ccc(F)cc1/C=N/CC1CCCCC1 64490698 NTVRENARHPBCQC-MHWRWJLKSA-N 235.302 3.531 30 1 BHEF CC1=C(O)S[C@](C)([C@H](C)c2ccccc2)C1=O 101036083 GMPLTSVOQHFAEV-QMTHXVAHSA-N 248.347 3.654 30 1 BHEF C=C(C)c1oc2cc(O)c(C(C)=O)cc2c1C 238737110 SFDXFMVUDZMFJS-UHFFFAOYSA-N 230.263 3.683 30 1 BHEF C=C(C)C[C@@H]1CCC=C2C(=O)CC(C)(C)[C@@H]21 2356552714 ZYVOQSKSDNGLKB-SMDDNHRTSA-N 218.340 3.904 30 1 BHEF C=C1CC[C@@](C)(C2=CCC(CO)=CC2)[C@H]1C 85996049 FFSGCOHFSZTTRC-SWLSCSKDSA-N 218.340 3.618 30 1 BHEF CC(=O)C=C[C@H]1C(C)=CC[C@H](C)C1(C)C 2356446440 JZQOJFLIJNRDHK-AAEUAGOBSA-N 206.329 3.760 30 1 BHEF O=C(/C=C/c1ccncc1)c1cccc(Cl)c1 13602126 LGFGNSXVJDARAE-SNAWJCMRSA-N 243.693 3.631 30 1 BHEF CCCCCCCCC[C@H](O)CC(=O)SC 169622505 YQBDZWUXXXVUHC-LBPRGKRZSA-N 246.416 3.768 30 1 BHEF C=CCCCCC[C@H]1O[C@@H]1CC#CC#C/C=C/C 238742923 YSDPVCLBQZDPNI-QZJSNOFBSA-N 242.362 3.863 30 1 BHEF N#Cc1ccccc1/C=C/c1cccc(F)c1 1772622375 WBJDBZGUGFYICU-CMDGGOBGSA-N 223.250 3.868 30 1 BHEF C=C(C)C1=C[C@@H]2[C@H](CC[C@@]2(C)O)[C@H](C)CC1 15264433 KPIRXWIQLXYWOA-NMFUWQPSSA-N 220.356 3.696 30 1 BHEF biogenic C=C(C)[C@H](CCC(C)=O)C[C@@H]1C(=O)CC[C@H]1C 2356390274 WHTKPKGWGJXQOR-BNOWGMLFSA-N 236.355 3.553 30 1 BHEF C=C1[C@@H](O)CCC(C)(C)[C@@]12CC=C(C)CC2 35028823 KSZBRCLNQKIVGH-DZGCQCFKSA-N 220.356 3.840 30 1 BHEF CC(=C\c1ccc(F)cc1)/C(=N/O)C(C)C 116359721 KHBHURZBJBAUPN-MZRBSKCNSA-N 221.275 3.715 30 1 BHEF CC#C[C@@H](CC)c1ccc2ccn(C)c2c1 36387652 QCGJWSBWDBJWSR-GFCCVEGCSA-N 211.308 3.695 30 3 BHEF C=C(C)[C@@H](O)CC[C@@H](C)c1ccc(C)cc1O 13377462 ZAAFPTURZUGYOT-OCCSQVGLSA-N 234.339 3.521 30 1 BHEF biogenic C=CCCC[C@@H](O)/C=C/C=C/C#CC#CCCC 238778193 OZLLXPCFMABHIA-CAUYNSQMSA-N 242.362 3.623 30 1 BHEF C=C(C)[C@@H]1CCC(C)=CCCC2=C[C@H]1OC2=O 2356673005 FGWWKPRDQNGBKN-UONOGXRCSA-N 232.323 3.551 30 1 BHEF C=C1[C@H](O)CC[C@@]2(C)[C@H]3CC[C@@]12CC3(C)C 2356734803 WAAGDSRYOTWUKB-PAPYEOQZSA-N 220.356 3.530 30 1 BHEF CC1=C(O)S[C@@](C)([C@@H](C)c2ccccc2)C1=O 101036079 GMPLTSVOQHFAEV-HZMBPMFUSA-N 248.347 3.654 30 1 BHEF C=C1CCC[C@H]2CC[C@@H](C(C)(C)O)C[C@@H]12 238772200 XFSVWZZZIUIYHP-XQQFMLRXSA-N 208.345 3.530 30 1 BHEF C#CCCCCCCCCCCC#C[C@@H](O)C#C 473114340 MVWOQLJRYSGLFC-KRWDZBQOSA-N 244.378 3.518 30 1 BHEF C=C(C)[C@@H]1CC[C@@]2(C)CC(=O)C=C(C)[C@H]2C1 85757300 IVZATFCVCDHOLU-YUELXQCFSA-N 218.340 3.904 30 1 BHEF endogenous,in-man C/C=C/C#C/C=C/C=C/CCCCCC(=O)O 238733231 PWOKSACWZBRZCY-HCURQLQISA-N 232.323 3.713 30 1 BHEF C=C1C[C@@H]2[C@H](C=C1C)[C@@H](C(C)C)CC[C@]2(C)O 2356473248 YXRUPFKBLNUVSR-FPCVCCKLSA-N 234.383 3.942 30 1 BHEF CC1=C[C@H]2[C@@H](CC1=O)C(C)=CC[C@@H]2C(C)C 9213627 LMILVXQXGKTFSZ-HZSPNIEDSA-N 218.340 3.760 30 1 BHEF Cc1ccc([C@@H](C#N)c2ccc(Cl)cc2)nc1 95872995 TZDMNGXBDHKRPC-ZDUSSCGKSA-N 242.709 3.699 30 1 BHEF C=C(C)[C@@H]1CC[C@]2(C)CC[C@H](O)C(=C)[C@@H]2C1 33831980 CZFHAODYOVXPIQ-CBBWQLFWSA-N 220.356 3.696 30 1 BHEF endogenous,in-man C=C[C@@]1(C)CC[C@@H]([C@H](C)c2ccc(C)o2)O1 231130928 RZQBBGYIEUNQIV-XBFCOCLRSA-N 220.312 3.815 30 1 BHEF C=C(C)C1=CC[C@H](C)[C@@H]2CC(=O)C(C)=C[C@@H]12 238762704 QVTBIFDNDSHCEB-BPNCWPANSA-N 216.324 3.680 30 1 BHEF CC1=C[C@H]2[C@H](C(C)C)CC=C(C)[C@@H]2CC1=O 3171698 LMILVXQXGKTFSZ-IHRRRGAJSA-N 218.340 3.760 30 3 BHEF biogenic,in-vitro C=C(C)C1=CC(=O)[C@]2(CCC[C@@H]2C)C(C)=C1 13397027 SKDDSQYBUAWHTP-NHYWBVRUSA-N 216.324 3.824 30 1 BHEF biogenic C/C=C\C#CC#C[C@@H](O)/C=C\CCCCCCC 195759088 VYFQRHHQNNXVTJ-ZYWSWSITSA-N 244.378 3.847 30 1 BHEF C=C1[C@H]2CC[C@@H](C2)[C@@]1(C)CC=C[C@H](C)C(=O)O 2356530666 IHMZZHKCEDANPL-NHULGOKLSA-N 234.339 3.646 30 1 BHEF C=C(C)[C@H]1C[C@]2(C)[C@@H](C)CCC[C@@H]2CC1=O 238780235 SBYYGPVDZLNUAX-KYEXWDHISA-N 220.356 3.984 30 1 BHEF C=CCC(C)(C)c1nc2cc(F)c(F)cc2[nH]1 587954117 DCHGFNOCTIGBOF-UHFFFAOYSA-N 236.265 3.695 30 1 BHEF Cc1ccc([C@H](C)CC[C@H]2OC2(C)C)cc1O 13377487 BQAQGBHVNVLESL-QMTHXVAHSA-N 234.339 3.762 30 1 BHEF biogenic C(#C[C@H]1C[C@@H]1c1c[nH]cn1)CCC1CCCCC1 13795287 RIUKBQARIDWZSC-GJZGRUSLSA-N 242.366 3.877 30 1 BHEF CCC1(CC)Cc2ccccc2C(=N)[C@@H]1C#N 36023268 OUEITSIPOFEVSK-ZDUSSCGKSA-N 226.323 3.557 30 1 BHEF C=C(C)[C@H]1C[C@@]2(C)C(=CCC[C@@H]2C)CC1=O 157172581 FIUMUGLGLVCXCX-NJZAAPMLSA-N 218.340 3.904 30 1 BHEF C=C(C)[C@@H]1CC[C@H](C)[C@@]2(O)CCC(C)=C[C@@H]12 2356427141 PWEFVGUEHRMHKN-AJNGGQMLSA-N 220.356 3.696 30 1 BHEF C=C1[C@H]2CC[C@@H](C)[C@H]2C=C(C(C)C)C[C@H]1O 2356607479 WFAWAGJRGJHCLR-JUDXGUMMSA-N 220.356 3.552 30 1 BHEF C=C1CC[C@@H]2C(C)(C)CCC[C@]2(C)[C@@H]1CO 257792363 ZPTSRWNMMWXEHX-UMVBOHGHSA-N 222.372 3.778 30 1 BHEF C=C(C)C1(Sc2ccc(OC)cc2)CC1 1864209 DOFSVJNXQPMMFC-UHFFFAOYSA-N 220.337 3.896 30 1 BHEF C=C(C)[C@@H]1CC[C@@]2(C)CC[C@H](O)C(=C)[C@@H]2C1 33831981 CZFHAODYOVXPIQ-QPSCCSFWSA-N 220.356 3.696 30 1 BHEF in-man C=C(C)[C@@H](O)/C=C\c1ccc(C(F)(F)F)cc1 73044190 BSAKFIBWNHXYCK-JECSTDCCSA-N 242.240 3.656 30 1 BHEF C=C(C)[C@H]1CC(=O)[C@@]2(C)CCC=C(C)[C@H]2C1 85532314 NCURUZQWQGIRTM-NFAWXSAZSA-N 218.340 3.904 30 1 BHEF biogenic,in-vitro CCCCCCC[C@@H](O)CC1=NCCCC1 2356845271 ODBVVAANIDRJBL-CQSZACIVSA-N 225.376 3.723 30 1 BHEF CCCCCC#CCC#CCCCCCC(=O)O 33822195 GBPLHEVQWNMCPB-UHFFFAOYSA-N 248.366 3.999 30 1 BHEF C=C(C)[C@@H]1CC[C@@]2(CO)CCCC(=C)[C@H]2C1 238772557 HSHCNLJAONXBOB-RBSFLKMASA-N 220.356 3.698 30 1 BHEF C=CCC(C)(C)c1nc2cc(OC)c(F)cc2[nH]1 587954255 LGYYWWGNFMJLEW-UHFFFAOYSA-N 248.301 3.564 30 1 BHEF C=CCc1cccc(OCC)c1OCCC 103284806 HFDJSVMXWUPBCG-UHFFFAOYSA-N 220.312 3.603 30 1 BHEF CC1(C)O[C@@H]1CC[C@]1(C)[C@@H]2C[C@H]3[C@@H](C2)[C@]31C 238758840 GFEGJYMPIPGGTE-DNNYSMPMSA-N 220.356 3.626 30 1 BHEF C=C(C)[C@@H]1CC[C@@]1(C)CCOC(=O)[C@@H](C)CC 2356553107 NRIGIDJZDUBPCH-YDHLFZDLSA-N 238.371 3.958 30 1 BHEF C=C1C(=O)O[C@H]2C=C(C)CC=C(C)CCC[C@@H]12 2356585355 MXFLMEIBRFFKKN-KBPBESRZSA-N 232.323 3.551 30 1 BHEF C=C(C)[C@@H]1CC[C@@]1(C)CCOC(=O)C(C)C 14451180 FVDDHXILHJBLOF-JSGCOSHPSA-N 224.344 3.568 30 1 BHEF biogenic C/C=C\C=C/C#C/C=C\C=C/CCCOC(C)=O 238743918 UWBOXJNXDPRYIO-XLZYYIJOSA-N 244.334 3.578 30 1 BHEF C=C(C)[C@@H]1CC[C@@]2(C)C=C[C@@](C)(O)C=C2C1 103290335 DUBVYZUXIZEVGS-VHDGCEQUSA-N 218.340 3.616 30 1 BHEF CC(C)=C1C(=O)C/C(C)=C\C=C\[C@@]2(C)C[C@@H]12 238774056 LKVXZMOEBUURAJ-INJLHCELSA-N 216.324 3.824 30 1 BHEF C#CC=CCC=C[C@@H]1CC[C@H](CC)[C@H]2CCCN12 2356475999 YASMBDUEGFXWLE-GVDBMIGSSA-N 243.394 3.775 30 1 BHEF C=CC(C)(C)CCCc1ccc2c(c1)OCO2 14591306 IHMNTQCUAJQGEX-UHFFFAOYSA-N 232.323 3.950 30 1 BHEF endogenous,in-man C=C1[C@H](CO)C[C@@]2(C)CCCC(C)(C)[C@]12C 14765734 ZAJCGIUTBZQWJO-CFVMTHIKSA-N 222.372 3.778 30 1 BHEF biogenic CN/C(=N\c1ccc(Cl)cc1)SC(C)C 28122339 NOXSLFCQJRKEMD-UHFFFAOYSA-N 242.775 3.689 30 1 BHEF CC=CC=CC#CC=CC=CCCCOC(C)=O 2356418738 UWBOXJNXDPRYIO-UHFFFAOYSA-N 244.334 3.578 30 1 BHEF C=C(C)[C@@H]1CC[C@@]2(C)[C@H](O)CCC(=C)[C@H]2C1 238764177 CORHHSPHLRPKPM-KBUPBQIOSA-N 220.356 3.696 30 1 BHEF CCCC/C=C/c1nc2ccc(C#N)cc2[nH]1 587966810 XWVXZFLOGLQKSX-AATRIKPKSA-N 225.295 3.638 30 1 BHEF C=C(C)[C@@H]1CC[C@]2(C=CC(=O)C[C@@H]2C)C1 2356507804 HPMLWJWXLHFPSW-SCRDCRAPSA-N 204.313 3.514 30 1 BHEF C=C1C(=O)C[C@@H]2[C@@H](CC2(C)C)C(=C)CC[C@@H]1OC 14445364 FPMOKOLGTNWUOB-GUTXKFCHSA-N 248.366 3.529 30 1 BHEF biogenic C=C(C)[C@@H]1CC[C@]2(C)CC[C@@H](O)C(=C)[C@@H]2C1 15207090 CZFHAODYOVXPIQ-LXTVHRRPSA-N 220.356 3.696 30 1 BHEF endogenous,in-man C=CCc1cc(OCCC(C)C)ccc1OC 103287547 RRWCVGSPAFYEOO-UHFFFAOYSA-N 234.339 3.849 30 1 BHEF C=C1C[C@H](O)C=C(C)CC[C@@H]2[C@@H]1CC2(C)C 13383806 DJGZASXOWNHOFE-MGPQQGTHSA-N 220.356 3.696 30 1 BHEF biogenic C=C1C=C[C@H](C(C)C)CC(=O)[C@@H](C)C=CC1 2356727389 MXBCSENLKQWEHH-KBPBESRZSA-N 218.340 3.926 30 1 BHEF C=C(C)[C@@H](O)CC[C@H](C)c1ccc(C)c(O)c1 13377465 CDFYSXHPCPFPAR-FZMZJTMJSA-N 234.339 3.521 30 1 BHEF biogenic CC(C)=CCC1=C(C)[C@H](O)c2ccccc2C1=O 94437867 PXIPYHVOWDEAMD-HNNXBMFYSA-N 242.318 3.589 30 1 BHEF in-vitro,metabolite CCCCCCCCC(=O)CC(=O)c1ccc[nH]1 103293336 GJYXHBUMEDVEOI-UHFFFAOYSA-N 249.354 3.907 30 1 BHEF CC[C@@H](C)CC(=O)c1coc2cc(C#N)ccc12 587278739 JZLYYHHXXFWQGB-SNVBAGLBSA-N 241.290 3.923 30 1 BHEF CCC(C)(C)c1[nH]c2cc(F)ccc2c1C#N 587636025 XVYJQQZXXZEEEX-UHFFFAOYSA-N 230.286 3.866 30 1 BHEF C=C1CCC=C(C)CC[C@H]2[C@H]1OC(=O)C2(C)C 2356511441 BNBYFIXJHNFSPY-STQMWFEESA-N 234.339 3.631 30 1 BHEF CC1=CC=C[C@]2(C)C[C@H]2C(=C(C)C)C(=O)C1 2356550851 LKVXZMOEBUURAJ-SWLSCSKDSA-N 216.324 3.824 30 1 BHEF C=C(C)[C@@H]1CC[C@@]2(C)OC(=O)C(=C(C)C)C[C@H]12 14921432 ZZEKLJSJUUZCFB-NJZAAPMLSA-N 234.339 3.631 30 1 BHEF biogenic CCCCCCCCCC(=O)c1cnc[nH]1 146614446 HEUVNNFRAFUGCI-UHFFFAOYSA-N 222.332 3.733 30 1 BHEF C=C1C(=O)O[C@@H]2/C=C(/C)C/C=C(\C)CCC[C@@H]12 238748842 MXFLMEIBRFFKKN-PABFHKAUSA-N 232.323 3.551 30 1 BHEF C=C1C(=O)C[C@@H]2C[C@]3(C)CCC[C@H](C)C3=C[C@H]12 2356357595 SSGVLPCHTCCBBE-XQCUEUFKSA-N 230.351 3.904 30 1 BHEF CC1(C)C[C@@H]2CCC[C@@H]3O[C@]3(C)CC[C@H]21 2356504275 JTKVDLDJQJDKEB-KZVDOYCCSA-N 208.345 3.770 30 1 BHEF C=C[C@]1(C)CC[C@@H]([C@@](C)(O)CCC=C(C)C)O1 15160363 OIVTVPOJCWXSIC-ZNMIVQPWSA-N 238.371 3.608 30 1 BHEF biogenic C=C1CC[C@H](C(C)(C)O)C[C@H]2C(C)=CC[C@@H]12 15264370 KOMASUWOXAIAJL-IHRRRGAJSA-N 220.356 3.696 30 1 BHEF biogenic C=C(CO)[C@@H]1CC[C@H](C)[C@@H]2CCC(C)=C2C1 15264394 PVSNVQBILAAHGF-GDLCADMTSA-N 220.356 3.698 30 1 BHEF biogenic C=CCCCCC/C=C/[C@@H](O)C#CC#C/C=C\C 15270004 BVVCAUWTOOENBU-VQTBBFSMSA-N 242.362 3.623 30 1 BHEF endogenous,in-man C=C1CC[C@@]23C[C@@H]1C(C)(C)[C@@H]2CC(=O)[C@@H]3C 197215058 QOGBNFZDBXTLSJ-UHXUCMFUSA-N 218.340 3.594 30 1 BHEF CCC/C=C/C(=O)c1coc2ccccc12 587280680 RNEYBMVSHJGJGG-XBXARRHUSA-N 214.264 3.972 30 1 BHEF N#CCc1c(-c2ccco2)[nH]c2cc(F)ccc12 587636031 XZODTPWKBUWPNT-UHFFFAOYSA-N 240.237 3.633 30 1 BHEF C=C(C)[C@@H]1CC[C@H](C)[C@@]12CC=C(CO)CC2 13307466 KBMDEJULGPFFGC-QEJZJMRPSA-N 220.356 3.698 30 1 BHEF biogenic C=CCc1cc(OCCC)ccc1OCCC 103287520 ATSAQAOWPXBBFX-UHFFFAOYSA-N 234.339 3.993 30 1 BHEF C=C(C)[C@@H]1CC=C2CC(=O)C[C@H](C)[C@]2(C)C1 2356517158 ZCIAZFSKBUFPBI-ZOWXZIJZSA-N 218.340 3.904 30 1 BHEF C=C1CCCC(C)(C)[C@H]1C/C=C1\CCOC1=O 5538859 NXLLBYJRCKRKNN-UWUHSAQLSA-N 234.339 3.632 30 1 BHEF C=C[C@]1(C)Cc2c(O)ccc(O)c2C[C@H]1C(=C)C 13407850 HNLMYQMBFUBQON-XJKSGUPXSA-N 244.334 3.581 30 1 BHEF biogenic CC(=O)C1=C(C)N=C2CC(C)(C)CC(O)=C2[C@@H]1C 101891333 QTFWJDKCCCHIKG-MRVPVSSYSA-N 247.338 3.572 30 1 BHEF C=C(C)[C@@H]1CC[C@]23O[C@@H]2CC[C@H](C)[C@]3(C)C1 2356652943 VNQMXFKWIVIYCC-QRTUWBSPSA-N 220.356 3.936 30 1 BHEF CC(=O)c1cccc(Nc2ccc(C#N)cc2)c1 72137739 SCSFMCJBQGPPBF-UHFFFAOYSA-N 236.274 3.504 30 3 BHEF CCN(CC)CCCC[C@@H](C#N)c1ccccc1 5175457 CFIUWJWXMOGBFT-INIZCTEOSA-N 244.382 3.806 30 1 BHEF C=C1CC[C@H](C(C)(C)O)C[C@@H]2C(C)=CC[C@H]12 15264368 KOMASUWOXAIAJL-BFHYXJOUSA-N 220.356 3.696 30 1 BHEF biogenic C=C(C)C1=C[C@H]2[C@@H](CC[C@]2(C)O)[C@H](C)CC1 238731145 KPIRXWIQLXYWOA-UNQGMJICSA-N 220.356 3.696 30 1 BHEF C=C(C)[C@@H]1CC[C@]2(C=C(C)C(=O)C[C@H]2C)C1 2356587120 YYZGYGHTZBOPEE-NFAWXSAZSA-N 218.340 3.904 30 1 BHEF C=C(C)[C@H]1CC[C@H](C)[C@@H](CCC(C)=O)C(=O)C1 14884888 CGLWYEZJKQTMLC-FPMFFAJLSA-N 236.355 3.553 30 1 BHEF N#CCN(/N=N\c1ccccc1)c1ccccc1 102817937 DGASXQYWYKMVJG-MSUUIHNZSA-N 236.278 3.715 30 1 BHEF C=C1C(=O)C=CC[C@@H]1/C=C/C=C/CCC 15270329 JNFGTEZBSNFLIN-PPHHVULTSA-N 202.297 3.600 30 1 BHEF C=CCCCC[C@H]1O[C@@H]1/C=C/C#CC#C/C=C/C 238730951 GRIRFVRSWUHHTQ-YZDWNGRYSA-N 240.346 3.639 30 1 BHEF C=C(C)[C@H]1CCC(C(=O)O)=C2CC[C@@H](C)[C@H]2C1 70454371 JNYAUBXATZXFIU-UHIISALHSA-N 234.339 3.790 30 1 BHEF biogenic,in-vitro C=C1CC/C=C(\C)CC[C@@H]2[C@@H]1OC(=O)C2(C)C 169423595 BNBYFIXJHNFSPY-SFGZWBMOSA-N 234.339 3.631 30 1 BHEF C/C=C/C=C/C#C/C=C/C=C/CCCCC=O 238738476 JSONUWKRCNXRBR-BDPLZKCDSA-N 228.335 3.994 30 1 BHEF C=C1CC[C@@H](C(C)=O)[C@@H]2C=C(C)CC[C@@H]12 238779948 YXIJNEOZFSAIAQ-MELADBBJSA-N 204.313 3.514 30 1 BHEF C=C1CC[C@@H]2O[C@]2(C)CC[C@@H]2[C@H](C)C[C@@H]12 2356520021 WNIHTICIPAEQLC-PEBLQZBPSA-N 206.329 3.546 30 1 BHEF C=C1[C@H]2CC[C@@H](C2)[C@]1(C)CC=C[C@H](C)C(=O)O 2356530661 IHMZZHKCEDANPL-GZCFXPHUSA-N 234.339 3.646 30 1 BHEF C=C(C)[C@@H]1CC[C@@H]2CCC[C@@](C)(O)[C@@]2(C)C1 2356608516 AJAZIQKKRHDLGH-CBBWQLFWSA-N 222.372 3.920 30 1 BHEF C=C1CC[C@@H]2C(=O)[C@]2(C)CC[C@@H]2[C@H]1CC2(C)C 2356612064 SNVUDGMIDCJEIG-VPWBDBDCSA-N 232.367 3.984 30 1 BHEF C(#C[C@@H]1C[C@H]1c1c[nH]cn1)CCC1CCCCC1 13795290 RIUKBQARIDWZSC-HUUCEWRRSA-N 242.366 3.877 30 1 BHEF [O-]/[N+](=C\c1ccccc1)c1ccc(Cl)cc1 1711847 SQFOKZCBFNORNB-GDNBJRDFSA-N 231.682 3.601 30 1 BHEF CC1(c2ccc(-c3ccc(C#N)cn3)cc2)CC1 96929167 VQZHQIQUJAPLPV-UHFFFAOYSA-N 234.302 3.672 30 1 BHEF CC(=O)CCC=C(C)CC[C@H]1[C@H](C=O)C1(C)C 2356581881 OWXSNWCHPCHSFO-KBPBESRZSA-N 236.355 3.553 30 1 BHEF C=C1C(=O)O[C@@H]2C=C(C)CC=C(C)CCC[C@H]12 2356585358 MXFLMEIBRFFKKN-ZIAGYGMSSA-N 232.323 3.551 30 1 BHEF CC/N=C1/CC(C)(C)c2cc(Cl)ccc2N1 96908695 PLSJFFTVWRVIHK-UHFFFAOYSA-N 236.746 3.852 30 1 BHEF C=C(C)CCC/C(C)=C\COC(=O)CC 5768236 NACFFFPZCNALMT-XFXZXTDPSA-N 210.317 3.632 30 1 BHEF C=C(C)[C@H](O)CC[C@H](C)c1ccc(C)cc1 2356790983 GGJSLMNHHMITIH-DZGCQCFKSA-N 218.340 3.816 30 1 BHEF C=C1[C@H]2C[C@H]2[C@]2(C)Cc3occ(C)c3C[C@@]12C 238762852 MVSRCZLPYQLXBW-OYNZBZHQSA-N 228.335 3.905 30 1 BHEF C=CCCCCC=CC=CC#CC=CC=CCO 2356521079 IWDABMVYFCSCSS-UHFFFAOYSA-N 242.362 3.953 30 1 BHEF C=C(CCOC)CC[C@@H]1CCCCC(=C)C1=O 5922657 QSKMJCZCFIEPHA-AWEZNQCLSA-N 236.355 3.675 30 1 BHEF C=C1CC[C@H](C)C(=C)[C@]12CC=C(C)C(=O)C2 13299387 HKEVEORRDSCJDT-BONVTDFDSA-N 216.324 3.824 30 1 BHEF biogenic C=C1[C@H]2CC[C@@H](C2)[C@]1(C)CC/C=C(/C)C(=O)O 100783244 PMCPDNGTLRPFQQ-JOWURJJYSA-N 234.339 3.790 30 1 BHEF endogenous,in-man C=C1C(=O)O[C@@H]2C/C(C)=C\CC/C(C)=C/C[C@H]12 136732123 BBMLTTOFEBDQIR-IKHJTAHYSA-N 232.323 3.551 30 1 BHEF CC1=CC(=O)[C@@H]2C(C)=CO[C@H]2CC(C)=CCC1 2356582326 FIRLDHBYAZBYTC-GJZGRUSLSA-N 232.323 3.551 30 1 BHEF C=C1CCCC(C)(C)[C@H]2C=C(CO)CC[C@H]12 14439358 MEEBLBVTPMZTSU-KGLIPLIRSA-N 220.356 3.698 30 1 BHEF biogenic C=C(C)[C@H]1CC[C@@]2(C1)C(C)=CC(=O)C[C@@H]2C 62612105 FGCUSSRGQNHZRW-KCQAQPDRSA-N 218.340 3.904 30 1 BHEF endogenous,in-man C=C[C@@](C)(O)CC/C=C(/C)CC(=O)C=C(C)C 111961459 NYBCPVODSGRKRC-JEMSNHSXSA-N 236.355 3.575 30 1 BHEF CCC(CC)C(=O)c1coc2cc(C#N)ccc12 587277924 BGVKYXNXKIRDFY-UHFFFAOYSA-N 241.290 3.923 30 1 BHEF C=C1CC[C@@H](O)C(=C)C=C[C@@H](C(C)C)CC1 2356455761 HHSHDKYRXLFJMS-LSDHHAIUSA-N 220.356 3.862 30 1 BHEF C=C1C(=O)C[C@@H]2[C@@H]1CC[C@@]1(C)CCCC(=C)[C@@H]21 2356475094 OINFTKHXNVCYLH-LUYZLQTOSA-N 230.351 3.904 30 1 BHEF C[C@H]1CC2=CC(=O)CCN2c2ccc(Cl)cc21 25479 UXLGYJWIWHMDNY-VIFPVBQESA-N 247.725 3.510 30 1 BHEF C=C[C@@]1(C)Cc2c(O)ccc(O)c2C[C@H]1C(=C)C 13407858 HNLMYQMBFUBQON-BBRMVZONSA-N 244.334 3.581 30 1 BHEF biogenic Cc1coc2c1C[C@@]1(C)C(=CCC[C@@H]1C)C2=O 15221461 FAPYHJULXRNNQD-ZUZCIYMTSA-N 230.307 3.689 30 1 BHEF biogenic C=C(C)c1cc(O)c2c(c1C)[C@@H](C)CCC2=O 13300361 UFAOZCAWOSPESC-VIFPVBQESA-N 230.307 3.814 30 1 BHEF biogenic CC1=C[C@@H]2C[C@]3(CC[C@H]2C(C)C)O[C@@H]3CC1 34623507 ZBBZNJBCTBFTGY-BARDWOONSA-N 220.356 3.936 30 1 BHEF CC(C)=C1C[C@H]2O[C@@]2(C)CCC[C@@H](C)CC1=O 238770235 HNWLYWCHTWWEOA-DFBGVHRSSA-N 236.355 3.650 30 1 BHEF C[C@@H]1C[C@H]1c1[nH]c2ccc(F)c(Cl)c2c1C#N 587629951 AOPZZYQRMHNJIO-RNFRBKRXSA-N 248.688 3.955 30 1 BHEF CCCCCCCCCc1cc(O)cc(O)n1 653838508 JCINCSYDDSRQQC-UHFFFAOYSA-N 237.343 3.786 30 1 BHEF CC1(C)[C@@H]2CC[C@@]1(C)/C(=N/CCN=[N+]=[N-])C2 1772608783 FYZIVTDUINRFDM-JHZWRWFKSA-N 220.320 3.584 30 1 BHEF O/N=C(\CSc1ccccc1)c1ccccc1 5732858 TZKJQSMMRLYJCQ-CCEZHUSRSA-N 243.331 3.657 30 1 BHEF CC1=CC[C@H](C2=CC[C@]3(CC2)CO3)C1(C)C 64624738 SRNBAOJKZYTEEY-HIFRSBDPSA-N 218.340 3.858 30 1 BHEF in-vitro CC1=C(O)S[C@](C)([C@@H](C)c2ccccc2)C1=O 101036081 GMPLTSVOQHFAEV-IINYFYTJSA-N 248.347 3.654 30 1 BHEF C=CCc1cccc2nc(C(C)(C)Cl)[nH]c12 587009137 XDGONOBBISGNGS-UHFFFAOYSA-N 234.730 3.765 30 1 BHEF C[C@H](C#N)c1cccc(-c2nc3ccccc3[nH]2)c1 587188362 QVTSYESUTDUMGU-LLVKDONJSA-N 247.301 3.857 30 1 BHEF C=C1CC(C(C)C)=CC[C@@H]2[C@@H]1CC[C@]2(C)O 2356504983 MDWXTAJJDBSNKM-KFWWJZLASA-N 220.356 3.696 30 1 BHEF C=C1CC[C@@H]2O[C@H]1[C@H]1[C@@H](C(C)C)CC[C@]21C 15167005 BITBXAWCPCNKKN-XLWJZTARSA-N 220.356 3.792 30 1 BHEF endogenous,in-man C=C1CC[C@H](O)[C@]2(C)CC=C(C(C)C)C[C@@H]12 15206971 FGPDTARJOXRWJD-SOUVJXGZSA-N 220.356 3.696 30 1 BHEF biogenic C=C1/C=C/C[C@@H](C)CC(=O)c2c(C)coc2C1 156678359 KIOIOKFCSBQUGC-DFVUYQKZSA-N 230.307 3.856 30 1 BHEF C=CC(C)(C)c1nc2ccc(OC(C)C)cc2[nH]1 587954488 XEHXSDRCMAVTAK-UHFFFAOYSA-N 244.338 3.814 30 1 BHEF C=CC(C)(C)n1cc(CN(C)C)c2ccccc21 5836 JRVLXLACCVMFNC-UHFFFAOYSA-N 242.366 3.624 30 1 BHEF biogenic CCC1=C[C@H]2[C@H](C)CCC[C@@]2(C)CC1=O 14614959 SEOAUNZLBHTCGB-OSMZGAPFSA-N 206.329 3.738 30 1 BHEF C=C(CO)[C@@H]1CCC2=CCC[C@@H](C)[C@]2(C)C1 15200609 YXKFKSFIOIGJMR-NFAWXSAZSA-N 220.356 3.698 30 1 BHEF biogenic C=C1CC/C=C(/C)[C@@H](O)C[C@@H]2[C@@H]1CC2(C)C 34062224 OIEGRICJBAVBOD-BMYQMPQMSA-N 220.356 3.696 30 1 BHEF C=C1[C@@H](CO)C[C@]2(C)CC[C@@H](C)[C@@H](C)[C@]12C 238760301 YXKRFZOMBQXIBR-SOMZYNEFSA-N 222.372 3.633 30 1 BHEF C=C1/C=C/[C@H](C(C)C)C/C=C(\C)CC[C@H]1O 523042014 BWBBFQXPSPCQPX-AFWFETHISA-N 220.356 3.862 30 1 BHEF biogenic CCC/C=C/C(=O)c1coc2cc(C#N)ccc12 587278124 DIHUZDRNPCQHRT-SNAWJCMRSA-N 239.274 3.843 30 1 BHEF C[C@@H]1CC[C@]2(C)[C@]3(C)O[C@@H]3[C@]3(C)CCC[C@@]123 2356493829 IDMHLGOISSURSV-KYFQHEKYSA-N 220.356 3.770 30 1 BHEF C=C(C(=O)O)[C@@H]1CC[C@@]2(C)CC=CC(=C)[C@@H]2C1 38264142 NVSFCZAJDYRQHL-VNHYZAJKSA-N 232.323 3.566 30 1 BHEF C=CCCCC/C=C/CC#CC#C[C@H](O)CC=C 525915287 YQBYRJITKVRBCW-OAGJVSPASA-N 242.362 3.623 30 1 BHEF biogenic C=C(C)C1=CC(=O)[C@]2(CCC[C@H]2C)C(C)=C1 13397024 SKDDSQYBUAWHTP-ABAIWWIYSA-N 216.324 3.824 30 1 BHEF biogenic C[C@@H]1CCC(=O)C2=CC[C@@H]3[C@@H](C3(C)C)[C@@]21C 2356427211 SFVXYZSILFBAPH-ZOUAZZMLSA-N 218.340 3.594 30 1 BHEF C=C1/C=C/[C@H](C(C)C)C[C@H](O)C(=C)CCC1 212722525 JUDKJOAKWBVHBX-JJGIJDNGSA-N 220.356 3.862 30 1 BHEF C=C[C@]1(C)CC[C@H](C(C)C)[C@@H](O)[C@@H]1C(=C)C 15149979 WOULTTPZJDSDEI-LXTVHRRPSA-N 222.372 3.798 30 1 BHEF endogenous,in-man C=C(C)[C@@H]1CC[C@@]2(C)CCC=C(C(=O)O)[C@@H]2C1 15206217 OKCQGVKXNGQQFZ-OSAQELSMSA-N 234.339 3.790 30 1 BHEF biogenic,in-vitro N#Cc1ccc2[nH]c(/C=C/c3ccccc3)nc2c1 28869380 FARVTWKKNLTOMZ-VQHVLOKHSA-N 245.285 3.605 30 1 BHEF C=C1CCC(=O)[C@]2(C)CC[C@@H](C(C)C)[C@H]2C1 14559441 JBOONPKUPONSIB-GZBFAFLISA-N 220.356 3.984 30 1 BHEF endogenous,in-man CC1(C)[C@H]2C=CCC[C@H]3O[C@@]3(C)CC[C@H]21 2356648219 SGNHFLIRMDBALK-SFTQSGBHSA-N 206.329 3.546 30 1 BHEF C=C1CC/C=C/[C@@H](C)C(=O)[C@H]2[C@@H]1CC2(C)C 238731421 QGLAKZJZPXRQJR-QRSKCAGOSA-N 218.340 3.760 30 1 BHEF C=C(C)[C@@H]1CC=C2CC(=O)C[C@@H](C)[C@]2(C)C1 238759976 ZCIAZFSKBUFPBI-JMSVASOKSA-N 218.340 3.904 30 1 BHEF C=C(C(=O)OC)[C@@H]1CC[C@H](C)[C@H]2CCC(C)=C[C@H]12 13381263 AOBAHYLCIGMCHX-ATGSNQNLSA-N 248.366 3.734 30 1 BHEF biogenic C=C1[C@H]2C[C@@H](C[C@@H]2CO)[C@@]1(C)C1CCCCC1 2356371159 WRTRGCCKEVBYEW-DTZQCDIJSA-N 234.383 3.778 30 1 BHEF C/C=N/c1c(Cl)c(O)c2ccccc2c1O 169691078 OGGBHYLHJXBVML-JLZUIIAYSA-N 235.670 3.627 30 1 BHEF CC1=C[C@H]2[C@H](CC1=O)C(C)=CC[C@@H]2C(C)C 3978619 LMILVXQXGKTFSZ-MGPQQGTHSA-N 218.340 3.760 30 3 BHEF in-vitro C=C1CC[C@H](O)/C(C)=C\C[C@@H]2[C@@H]1CC2(C)C 13383839 DWUYGFWOANEJRE-GEMYPJNZSA-N 220.356 3.696 30 1 BHEF C=C[C@H](O)CCCCCCCCCCC(=O)O 33822262 WFGNXJKDTYRJEV-ZDUSSCGKSA-N 242.359 3.519 30 1 BHEF CCCCCCCCc1cc(C)cc(=O)o1 103168685 RUDXTSBTLYTRFK-UHFFFAOYSA-N 222.328 3.851 30 1 BHEF C=CCOc1cccc(OCCC(C)C)c1 103284921 ZFWKQKLVLZBUAH-UHFFFAOYSA-N 220.312 3.676 30 1 BHEF N#Cc1cccc2nc(-c3ccoc3C3CC3)[nH]c12 586901857 PEOJAKNACGIUBT-UHFFFAOYSA-N 249.273 3.572 30 1 BHEF C=C(CCC[C@@H](C)CC)C[C@@H](O)C[C@@H](C)CO 15214211 VBYQXYSSKALZIL-NWANDNLSSA-N 242.403 3.529 30 1 BHEF endogenous,in-man CC1=CC(=O)[C@@H]2[C@H]3[C@@H]1[C@@]2(C)CCCC3(C)C 100826391 KTPOZFYJWLGJGH-RGCMKSIDSA-N 218.340 3.594 30 1 BHEF endogenous,in-man CCC(=O)/C=C/C(C)(C)C/C=C(\C)CCC=O 217992934 WWVHKPBSUOUGBV-RRURSIDFSA-N 236.355 3.863 30 1 BHEF C=C1CCC[C@]2(C)CC[C@@H]([C@@H](NC=O)C(C)C)[C@H]12 14858426 SEAGBPMCOQAENU-FXUDXRNXSA-N 249.398 3.530 30 1 BHEF CC1=CC=C[C@]2(C)CC(=O)C(=C(C)C)C[C@@H]12 15208088 DVGWOFUZNUYQPS-DZGCQCFKSA-N 216.324 3.824 30 1 BHEF endogenous,in-man CC1=CC(=O)[C@@H]2[C@@H](C)CCC(=C(C)C)[C@@H]2C1 66033071 OYGMKZAGBMAOKO-CORIIIEPSA-N 218.340 3.904 30 1 BHEF C=C1CCC[C@@]2(C)[C@H]1CC(=C(C)C)C[C@H]2O 15206992 KIWHFBIBAJSYHN-ZNMIVQPWSA-N 220.356 3.840 30 1 BHEF biogenic C=CCc1ccc(O)c(-c2cc(CCC)on2)c1 84587102 FOTLREZHIQPEAI-UHFFFAOYSA-N 243.306 3.728 30 1 BHEF C=C(C)C1=CC(=O)[C@H](C)[C@H]2CCC(C)=C[C@@H]12 238757709 IOWYPXJMCFZBEY-YRGRVCCFSA-N 216.324 3.680 30 1 BHEF C=C1CCC(=O)C(C)=CC[C@@H]2[C@@H]1CC2(C)C 2356329140 UVPVOJNEDSOAHT-CHWSQXEVSA-N 218.340 3.904 30 1 BHEF CCCCCCC=CC=CC#CC#CCCCO 2356431031 ZKUCSQMMDJDRPK-UHFFFAOYSA-N 244.378 3.849 30 1 BHEF C=C(C)[C@@H]1CC[C@]2(C)CCC=C(C(=O)O)[C@@H]2C1 15206224 OKCQGVKXNGQQFZ-ZLDLUXBVSA-N 234.339 3.790 30 1 BHEF biogenic C=CCN[C@@]12CCCC[C@@H]1CCc1ccccc12 26156092 WDUANPFUTATVQW-WBVHZDCISA-N 241.378 3.794 30 1 BHEF C=C1CCC[C@@H]2CC[C@@H](C(C)(C)O)C[C@H]12 2356625732 XFSVWZZZIUIYHP-JHJVBQTASA-N 208.345 3.530 30 1 BHEF Cc1nc2cc(/N=C\c3cccs3)ccc2[nH]1 5940881 PXLBYEFMDVMUAG-ZSOIEALJSA-N 241.319 3.683 30 1 BHEF C=C1C[C@H]2O[C@@]2(C)CC[C@H]2[C@@H]1CC2(C)C 9302326 AMTSLHRSERHBCF-CZXHOFHRSA-N 206.329 3.546 30 1 BHEF O=N[C@@H](c1ccccc1)[C@@H]1O[C@@H]1c1ccccc1 169705207 OMGAPFGTLVUQBM-ZNMIVQPWSA-N 239.274 3.634 30 1 BHEF C[C@@H]1C=CC2=CC(=O)C[C@]2(C)[C@H]2CCCC[C@@H]12 2356581305 REPSZHDKTARSEN-MEYUZBJRSA-N 230.351 3.904 30 1 BHEF c1cc2c3c(c1)[C@H]1O[C@H]1c1cccc(c1-3)[C@H]1O[C@@H]21 6009845 ODWIKMRCLCFXPH-SYMSYNOKSA-N 234.254 3.606 30 1 BHEF C=C(CO)[C@@H]1CCCC2=CCC[C@@H](C)[C@@]21C 14612482 FVZFWAFWOHDVHQ-SNPRPXQTSA-N 220.356 3.698 30 1 BHEF biogenic C=C(C)[C@@H]1CC[C@]2(C)CCC[C@H](C)[C@]2(O)C1 15209656 LLTYVNOOGNNNPY-LJISPDSOSA-N 222.372 3.920 30 1 BHEF biogenic C=C1CC[C@@H](C)C(C)=C[C@@H]2[C@@H]1CC[C@@]2(C)O 34416115 LMBNOBPWWFAPHY-JUDXGUMMSA-N 220.356 3.696 30 1 BHEF CCCCCCCCOP(=O)(OC)OC 116942957 DWXVIODBGAAGPR-UHFFFAOYSA-N 238.264 3.764 30 1 BHEF C/C=C/C=C\C(=O)c1coc2ccccc12 587280778 YGMCVABXYJZCKF-HOJFPOIOSA-N 212.248 3.748 30 1 BHEF C=C1[C@H]2C[C@@H](C[C@H]2CO)[C@@]1(C)C1CCCCC1 2356371160 WRTRGCCKEVBYEW-LCGIIJARSA-N 234.383 3.778 30 1 BHEF C=C(C)[C@@H]1C[C@]2(C)[C@@H](C)CCC[C@H]2CC1=O 2356421738 SBYYGPVDZLNUAX-PWNZVWSESA-N 220.356 3.984 30 1 BHEF C=C1[C@H]2CC[C@H](C2)[C@@]1(C)CC/C=C(/C)C(=O)O 14690723 PMCPDNGTLRPFQQ-GSHQRDRYSA-N 234.339 3.790 30 1 BHEF endogenous,in-man C=C1CC[C@]2([C@@]3(C)CCC(=O)C3(C)C)C[C@H]12 137336835 BSSOGAHRTAIVJR-UGFHNGPFSA-N 218.340 3.738 30 1 BHEF C=C1CCC[C@]2(C)CC3=C(C[C@H]12)[C@@H](C)C(=O)O3 238778639 HVXUKRCJYSIZFL-IXPVHAAZSA-N 232.323 3.590 30 1 BHEF C=CC[C@](O)(C#Cc1ccccc1)c1ccccc1 8860540 OGGJVCYZHIWFMJ-SFHVURJKSA-N 248.325 3.502 30 1 BHEF C=C1CC[C@@H](C(C)C)[C@@H]2[C@@H](C(C)=O)CC[C@@H]12 34212910 YKWVCZPTAAKDIY-XQLPTFJDSA-N 220.356 3.840 30 1 BHEF biogenic,in-vitro C=CC(C)(C)C1=CC(=O)C(CC=C(C)C)=CC1=O 44138077 IXIJAOCIIZYSQJ-UHFFFAOYSA-N 244.334 3.560 30 1 BHEF C=C[C@@](C)(O)CCC/C(C)=C\C(=O)C=C(C)C 111966811 OTRVEZNVCKAIQL-BMOGTNHUSA-N 236.355 3.575 30 1 BHEF CC(=Nc1ccccc1C)N[C@H]1C[C@H]2CC[C@H]1C2 261176249 UXGVBEZDJTXWGO-DZKIICNBSA-N 242.366 3.823 30 1 BHEF C=C(C(=O)OC)[C@H]1CC=C2CCC[C@H](C)[C@@]2(C)C1 238751467 KMBKGQRONXQUPB-DETPVDSQSA-N 248.366 3.878 30 1 BHEF C#Cc1ccc2c(ccc3ccccc32)c1 73374230 OEMQNFYGCFXEEJ-UHFFFAOYSA-N 202.256 3.974 30 1 BHEF C=C(C(=O)O)[C@@H]1CC[C@]2(C)CCC[C@@H](C)[C@@H]2C1 2356440065 LWPUMUQNDCBNFC-PBOSXPJTSA-N 236.355 3.870 30 1 BHEF C=C[C@]1(C)CC[C@@H]([C@H](C)C(=O)C=CC(C)C)O1 2356541781 NMSXSGMHOUHHGP-VHDGCEQUSA-N 236.355 3.528 30 1 BHEF C=C(C)[C@@H]1CC2=C(C)CCC[C@@]2(C)C[C@H]1O 2356578747 DEJQXLRIIOLSAB-CFVMTHIKSA-N 220.356 3.840 30 1 BHEF C=C1C(=O)c2ccccc2O[C@@H]1c1ccccc1 26015040 MOLVQHHXMFNNFM-INIZCTEOSA-N 236.270 3.559 30 1 BHEF C#CCCC(=O)c1coc2ccc(Cl)cc12 587276767 VFCVYWKALFHIFA-UHFFFAOYSA-N 232.666 3.682 30 1 BHEF N#C[C@@H](Cc1ccc[nH]1)c1ccc(Cl)cc1 169329397 XNTJXRQMWBYMKA-LLVKDONJSA-N 230.698 3.518 30 1 BHEF C=CC(C)(C)CC(=O)C=C(O)c1ccccc1 2356780025 IQKXBAOWMSFUSS-UHFFFAOYSA-N 230.307 3.757 30 1 BHEF C=C[C@]1(C)CC[C@@H](C(C)C)[C@@H](O)[C@H]1C(=C)C 85664071 WOULTTPZJDSDEI-GBJTYRQASA-N 222.372 3.798 30 1 BHEF endogenous,in-man N#Cc1ccc2nc(C3(F)CCCCC3)[nH]c2c1 587132858 WCPOFFILHHKTIX-UHFFFAOYSA-N 243.285 3.563 30 1 BHEF C=C1CC[C@@H](O)[C@]2(C)CC[C@@H](C(C)C)C=C12 85757133 SKTNVTDTHGDEEV-BPLDGKMQSA-N 220.356 3.696 30 1 BHEF biogenic,in-vitro C=C(C)[C@H]1CC[C@@]2(C)CC[C@H](O)C(=C)[C@@H]2C1 85757174 CZFHAODYOVXPIQ-AJNGGQMLSA-N 220.356 3.696 30 1 BHEF in-man C=C[C@H](CC=CCCCCC)OC(C)=O 2356391600 UGBVCTPSHZAOJV-CYBMUJFWSA-N 210.317 3.631 30 1 BHEF O/N=C1/[C@@H]2CC=C(c3ccccc3)[C@H]1CCC2 16918742 DJWAKEWVSIKTCV-NCJNIDAQSA-N 227.307 3.720 30 1 BHEF C/C=C\C=C\C#C/C=C\C=C/CCCCC=O 221227781 JSONUWKRCNXRBR-MYUBABPZSA-N 228.335 3.994 30 1 BHEF C=C(C)[C@@H]1CC[C@@H](C)C12CCC(CO)CC2 238769364 RDTHDRJVLMGJAD-JLVJUDLZSA-N 222.372 3.778 30 1 BHEF CCC(C)(C)C(=O)c1coc2cc(C#N)ccc12 587278770 KSQIQQVNKTYSRO-UHFFFAOYSA-N 241.290 3.923 30 1 BHEF C=C1CC[C@@H]2C[C@@H]1C(C)(C)C[C@@H](O)/C=C/2C 169290871 CXCWPODYESQSPM-BHIVFPANSA-N 220.356 3.696 30 1 BHEF C=CCCC[C@@H](O)C=CC=CC#CC#CCCC 2356488500 OZLLXPCFMABHIA-QGZVFWFLSA-N 242.362 3.623 30 1 BHEF C=C(C)[C@@H]1CC[C@]2(C)CCC[C@@](C)(NC=O)[C@@H]2C1 13352063 ZFTMEUDAZINSIJ-LVQVYYBASA-N 249.398 3.674 30 1 BHEF biogenic C=C(C)C1=C2CCC(C(=O)O)=CC[C@]2(C)CC1 13432119 XIDXTKPMMNRXAU-OAHLLOKOSA-N 232.323 3.854 30 1 BHEF biogenic CC(C)=C1C[C@@H]2O[C@@]2(C)CC[C@@H]2C[C@@]2(C)CC1=O 238750263 YMFOAVNNIBPOJO-MEYUZBJRSA-N 248.366 3.650 30 1 BHEF O=C(C=C[C@@H]1C=CC=CC1)c1ccccc1 2356346859 AGAGXPLQURPGFQ-CYBMUJFWSA-N 210.276 3.558 30 1 BHEF CC=CC=CC#CC=CC=CCCCCCO 2356562273 SRSRBQUPBCJEJU-UHFFFAOYSA-N 230.351 3.787 30 1 BHEF C=C[C@@]1(C)CC[C@](O)(C(C)C)C[C@@H]1C(=C)C 15150005 IEPFBZDLASGILR-QLFBSQMISA-N 222.372 3.942 30 1 BHEF biogenic,in-vitro C=C1CCC[C@@H]2O[C@]2(C)C[C@@H]2[C@H]1CC2(C)C 2356505721 MOYYYOOVDGFOGG-SFDCQRBFSA-N 220.356 3.936 30 1 BHEF C=C1[C@@H]2C[C@@H]2[C@]2(C)Cc3occ(C)c3C[C@@]12C 2356565036 MVSRCZLPYQLXBW-MZGVZZPPSA-N 228.335 3.905 30 1 BHEF CCCC/C=C/C=C/[C@@]1(C)SC(O)=CC1=O 13609051 YZOPWJNYBIIVLX-WENUQTIISA-N 238.352 3.763 30 1 BHEF C=CCCCCC=CCC#CC#C[C@H](O)CC=C 2356288221 YQBYRJITKVRBCW-QGZVFWFLSA-N 242.362 3.623 30 1 BHEF CC1=CC[C@@]2(CC1=O)[C@@H](C)CC[C@@H]2C(C)C 13307536 HBTHUBMUAHAWBC-GZBFAFLISA-N 220.356 3.984 30 1 BHEF in-man CC1=CC[C@]2([C@H](C)CC[C@H]3OC3(C)C)C[C@H]12 2356606335 MAJHBVOOMZYAJX-RGCMKSIDSA-N 220.356 3.936 30 1 BHEF C=C(C)[C@@H]1CC[C@]2(C)CC(=O)C=C(C)[C@@H]2C1 15207426 IVZATFCVCDHOLU-VHDGCEQUSA-N 218.340 3.904 30 1 BHEF endogenous,in-man C=C1CC/C=C(/C)C(=O)c2occ(C)c2C(=O)C1 144840537 KELZYRMOEAISJM-POHAHGRESA-N 244.290 3.640 30 1 BHEF CC1=CC[C@@H](C(C)C)[C@@H]2C[C@H](C=O)CC[C@H]12 238789583 YNJVDSYCRWSLLF-BARDWOONSA-N 220.356 3.840 30 1 BHEF C=C[C@]1(C)Cc2c(O)ccc(O)c2C[C@@H]1C(=C)C 13407854 HNLMYQMBFUBQON-CZUORRHYSA-N 244.334 3.581 30 1 BHEF biogenic C[C@@H]1C[C@@H]2CC(=O)C=CN2c2ccc(Cl)cc21 27105815 YCLJIQZCIRKRBL-MWLCHTKSSA-N 247.725 3.509 30 1 BHEF CC(C)=CC(=O)C/C(C)=C\CC/C(C)=C/CO 103584765 VCXVMWVWGVWZPY-PUCXRGNASA-N 236.355 3.577 30 1 BHEF biogenic,in-vitro CC(C)(S)Cc1cc2c3c(cccc3n1)CC2 587216755 LFYVOHODZZCJSE-UHFFFAOYSA-N 243.375 3.584 30 1 BHEF C=C(C(=O)O)[C@H]1CC[C@H](C)[C@@H]2CCC(C)=C2C1 6037630 HEIJYTOSZVGQPT-XDTLVQLUSA-N 234.339 3.790 30 1 BHEF biogenic,in-vitro COc1ccc2cc(CC/C(C)=N/O)ccc2c1 28568500 OJRWGQXBZXMJQI-LFIBNONCSA-N 243.306 3.631 30 1 BHEF CC(=O)CC/C(C)=C/CC[C@@H]1[C@@H](C=O)C1(C)C 34353541 DFFNANWUVIXRPP-GFUGXAQUSA-N 236.355 3.553 30 1 BHEF CCCCCCC/C=C/C(=O)NC1CCCC1 103222998 MFRGQXUPNMUNCL-MDWZMJQESA-N 237.387 3.962 30 1 BHEF C=C1CC/C=C(\CO)CC[C@@H]2[C@H]1CC2(C)C 33829857 MGIQTXDHQJGPEZ-PJWHXWNJSA-N 220.356 3.698 30 1 BHEF Cc1cccc(C#CCSc2ccccc2)n1 34485593 QPGKAVMWBQPWGX-UHFFFAOYSA-N 239.343 3.534 30 1 BHEF in-vivo CC(C)CCC(=O)c1coc2cc(C#N)ccc12 587279500 WXHBCSBXNKRUCN-UHFFFAOYSA-N 241.290 3.923 30 1 BHEF C=C(C(=O)O)[C@@H]1CCC2=CCC[C@H](C)[C@]2(C)C1 15200526 IOHUKXKGHJOVIW-NVBFEUDRSA-N 234.339 3.790 30 1 BHEF biogenic C[C@@H]1CC[C@]23CCC[C@]12[C@]1(C)O[C@@H]1C3(C)C 238773713 OHRRHVCPFNKFBM-SOMZYNEFSA-N 220.356 3.770 30 1 BHEF C=C1C=C[C@H]([C@H](C)[C@@H](O)CC=C(C)C)CC1 2356347150 COLXZUVHIZOLPD-KKUMJFAQSA-N 220.356 3.862 30 1 BHEF C=C[C@@H](C=C(C)COC(=O)CCC)C(=C)C 2356673062 AIGHMGUTQUTCPA-ZDUSSCGKSA-N 222.328 3.654 30 1 BHEF C=C(C)[C@@H]1CC[C@@]2(C)C(O)=CC(=O)C(C)=C2C1 14452531 UVPKPVSGUFZAQZ-IAQYHMDHSA-N 232.323 3.710 30 1 BHEF biogenic C=C1CC[C@H](C(C)C)C(=O)C[C@@]2(C)CC[C@@H]1O2 85692315 POFBBUXEVOLQSV-VHDGCEQUSA-N 236.355 3.506 30 1 BHEF C=C1CCC[C@]2(C)CC[C@H](c3cc3=O)C[C@@H]12 2356474464 SIQVVJZAJWQLNM-CORIIIEPSA-N 216.324 3.553 30 1 BHEF CCCCCCCC[C@H](O)/C=C1/CCCC1=O 43101002 DTSKTELVGYKEMV-DINCDJDBSA-N 238.371 3.777 30 1 BHEF C/C1=C/CC[C@H](C=O)[C@H]2CC(C)(C)[C@H]2CC1 257567013 VLWNRFXSKLVVEB-GEMYPJNZSA-N 220.356 3.984 30 1 BHEF endogenous,in-man CC=C1CC=C(C)CCC=C(C)CC1=O 2356449687 UYHHSOGEWRDLDE-UHFFFAOYSA-N 204.313 3.968 30 1 BHEF C=CCc1cccc(OCCC(C)C)c1O 103282836 BDSMKYXVJONKGM-UHFFFAOYSA-N 220.312 3.546 30 1 BHEF C=C1CC[C@@H](OC)C(=C)C(=O)C[C@@H]2[C@@H]1CC2(C)C 14445366 FPMOKOLGTNWUOB-UMVBOHGHSA-N 248.366 3.529 30 1 BHEF biogenic C[C@@]12CCC[C@]1(C)[C@]1(C)CC[C@@]3(CO3)[C@H]2C1 95911307 ROBVBIQWPFXMHM-XPABHHOTSA-N 220.356 3.772 30 1 BHEF biogenic,in-vitro C=C1/C=C/[C@@H](C(C)C)C/C=C(\C)CC[C@@H]1O 523042017 BWBBFQXPSPCQPX-GIPOETGQSA-N 220.356 3.862 30 1 BHEF biogenic C=CCc1cc(OCCC(C)C)ccc1O 103286513 LGJBCKBJRGCJNQ-UHFFFAOYSA-N 220.312 3.546 30 1 BHEF CCCc1[nH]c2ccc(F)c(Cl)c2c1C#N 587630925 SZXIGLHPUSRNCX-UHFFFAOYSA-N 236.677 3.785 30 1 BHEF Cc1ccoc1-c1[nH]c2cccc(F)c2c1C#N 587634778 DXNQPWLZGZJBFR-UHFFFAOYSA-N 240.237 3.747 30 1 BHEF C=C/C=C/C=C/C(=C\C#CC#CC)SC 14593759 LABBLCKGUPHUSZ-PIPUQTGPSA-N 214.333 3.558 30 1 BHEF C=C1C(=O)O[C@@H]2C/C(C)=C/CC/C(C)=C/C[C@H]12 33831932 BBMLTTOFEBDQIR-BQULMBIYSA-N 232.323 3.551 30 1 BHEF CO/N=C(C)/C=C/[C@H]1C(C)=CCCC1(C)C 103202188 AELHASQYTOGISV-UWADRJDOSA-N 221.344 3.947 30 1 BHEF C[C@H]1C[C@@H]1c1[nH]c2ccc(F)c(Cl)c2c1C#N 587629949 AOPZZYQRMHNJIO-BQBZGAKWSA-N 248.688 3.955 30 1 BHEF C=C1CC[C@H](C(C)C)[C@@H]2C=C(C(=O)O)CC[C@@H]12 14917970 DTPZSZZVUKXNSJ-RDBSUJKOSA-N 234.339 3.646 30 1 BHEF biogenic CCCCCCCCCC[n+]1cccc(O)c1 205363318 NVKKMFKXRUVDJJ-UHFFFAOYSA-O 236.379 3.820 30 1 BHEF C=C(C)[C@@H]1CC[C@@]2(C)C=C(O)C(=O)C(C)=C2C1 238749688 ANBQZRWVQGYZGU-ABAIWWIYSA-N 232.323 3.710 30 1 BHEF C=CCCCCC/C=C/CC#CC#CC(=O)C=C 1531103 HLHBDMWPPKHNDQ-ZHACJKMWSA-N 240.346 3.831 30 1 BHEF C=C1CC[C@H](C(C)(C)O)C[C@@H]2C(C)=CC[C@@H]12 15264365 KOMASUWOXAIAJL-MELADBBJSA-N 220.356 3.696 30 1 BHEF biogenic C=C(C)[C@@H]1CC[C@](C)(O)[C@@H]2CC=C(C)[C@@H]2C1 2356624052 QKHYXKLHIXEAGP-BARDWOONSA-N 220.356 3.696 30 1 BHEF C=C1CCC(=O)[C@@H](C)CC[C@@H]2[C@@H]1CC2(C)C 34256113 GWBJPNAWYMBRLQ-YNEHKIRRSA-N 220.356 3.984 30 1 BHEF C=C(C)[C@@H]1CC[C@H](C)[C@@H]2CC[C@](C)(O)[C@H]2C1 2356567815 BEWUYYKPXKLMEK-AICCOOGYSA-N 222.372 3.776 30 1 BHEF C=CCCCCC=CCC#CC#C[C@@H](O)CC=C 2356288220 YQBYRJITKVRBCW-KRWDZBQOSA-N 242.362 3.623 30 1 BHEF O=C(C=C1Cc2ccccc21)c1ccccc1 2356622566 HWHZQTMEJCZCLM-UHFFFAOYSA-N 220.271 3.509 30 1 BHEF C=CCCCCC[C@H](O)C=CC#CC#CC=CC 2356564805 DDWUABWPXPSLAB-KRWDZBQOSA-N 242.362 3.623 30 1 BHEF C=C(C)[C@H]1CC[C@]2(C)[C@@H](O)CC[C@@H](C)[C@H]2C1 6437775 SZJYIPBMAVTAPS-SEBNEYGDSA-N 222.372 3.776 30 1 BHEF CC(C)=CC(=O)C/C(C)=C\CC/C(C)=C\CO 111961425 VCXVMWVWGVWZPY-LUGOROIYSA-N 236.355 3.577 30 1 BHEF C/C=C/C#CC#C/C=C\C=C/CCCCCC=O 221231152 LTDHYWCQZMPBOF-LAFHTPKLSA-N 240.346 3.831 30 1 BHEF O=C(C=C[C@H]1C=CC=CC1)c1ccccc1 2356346860 AGAGXPLQURPGFQ-ZDUSSCGKSA-N 210.276 3.558 30 1 BHEF CC1=C[C@H]2C(=C(C)C)C(=O)C=C(C)[C@@H]2CC1 2356502057 WFCQRHPAVQIDTH-QWHCGFSZSA-N 216.324 3.824 30 1 BHEF C=C1[C@H]2CC[C@@H]([C@@H]2OC)[C@]1(C)C1CCCC1 2356546523 MRWBLGJMKSZDFI-BARDWOONSA-N 220.356 3.794 30 1 BHEF C=C1C[C@@H]2O[C@@]2(C)CC[C@H]2[C@@H]1CC2(C)C 9302327 AMTSLHRSERHBCF-UHXUPSOCSA-N 206.329 3.546 30 1 BHEF C=C(C)[C@H]1CCC(C(=O)OC)=C2CC[C@@H](C)[C@H]2C1 15264338 HOXPWZTVWIBECM-TYNCELHUSA-N 248.366 3.878 30 1 BHEF biogenic,in-vitro C=C[C@@]1(O)CC[C@@]2(C)[C@H](C)CC[C@@]2(C)[C@@H]1C 71317113 TUCSIUBDOHTKKQ-CAEXGNQWSA-N 222.372 3.776 30 1 BHEF C=C1[C@H]2CC[C@H](C2)[C@@]1(C)CC/C=C(/C)C(=O)OC 238749212 WUOSCGIEMBSQHH-ZEGAGZRESA-N 248.366 3.878 30 1 BHEF CC/C=N/c1nc(-c2ccccc2)cs1 605623337 NTAHABZOEHAJGW-MDWZMJQESA-N 216.309 3.922 30 1 BHEF C=C1C(=O)O[C@H]2C=C(C)CC=C(C)CCC[C@H]12 2356585356 MXFLMEIBRFFKKN-KGLIPLIRSA-N 232.323 3.551 30 1 BHEF COC1=C[C@]2(C)CCC(C(C)C)=CC2=C(C)C1=O 14452538 FHNDXUYNRPSKDT-INIZCTEOSA-N 246.350 3.798 30 1 BHEF biogenic Cc1cccc(C)c1/C=C/c1cncc(C#N)c1 36187614 HBEMKNJHSCJGLQ-VOTSOKGWSA-N 234.302 3.741 30 1 BHEF C=C1C[C@@H](O)[C@@H](C(C)C)[C@@H]2C=C(C)CC[C@H]12 238764649 UHPAOJOYWJZLCG-TUVASFSCSA-N 220.356 3.552 30 1 BHEF C=C1CCC=C(C)CC[C@@H]2[C@@H]1[C@H](O)C2(C)C 2356408369 DNWWLTIHFSGXHB-MCIONIFRSA-N 220.356 3.696 30 1 BHEF C=C(C)[C@H](CCC(C)=O)C[C@H]1C(=O)CC[C@@H]1C 218797910 WHTKPKGWGJXQOR-IACUBPJLSA-N 236.355 3.553 30 1 BHEF C=C(C)[C@@H]1CC[C@H](C)C12CCC(CO)CC2 2356693928 RDTHDRJVLMGJAD-LQULJDIASA-N 222.372 3.778 30 1 BHEF CSCCCCCCCCC#[N+][O-] 62238323 SOYSBBRHRWQRDN-UHFFFAOYSA-N 201.335 3.911 30 1 BHEF in-vitro C=C[C@@](C)(O)C[C@@H]1C=C(C)CC[C@H]1C(=C)C 85945019 KPDSVTXZHWEKOQ-SOUVJXGZSA-N 220.356 3.862 30 1 BHEF C=C1C(=O)C[C@@H]2[C@@H](CC2(C)C)C(=C)CC[C@H]1OC 14445362 FPMOKOLGTNWUOB-GZBFAFLISA-N 248.366 3.529 30 1 BHEF biogenic C/C=C\C#CC#C/C=C/C=C\CCCCCCO 221224826 CGLLCCUJRHGHTR-MUEMXHCKSA-N 242.362 3.625 30 1 BHEF C=C1CC[C@H]2[C@H]1[C@H](C=C(C)CO)CC[C@H]2C 2356395089 KTJOVZDBQRSACR-FAAHXZRKSA-N 220.356 3.554 30 1 BHEF N#Cc1c2ccccc2c2cnc3ccccc3n12 29051678 LZARMDRVDTZZHV-UHFFFAOYSA-N 243.269 3.512 30 1 BHEF CC1=CC[C@@]23C[C@@H]1[C@](C)(C=O)[C@H]2CC[C@H]3C 238735141 IIRSXUDXJJMDJP-SEBNEYGDSA-N 218.340 3.594 30 1 BHEF CC=CC#CC#CC=CC=CCCCCCCO 2356393184 CGLLCCUJRHGHTR-UHFFFAOYSA-N 242.362 3.625 30 1 BHEF C=C(C)[C@H](CCC(C)=O)CC1=C(C)CCC1=O 14694266 VALJTPGALJMVTL-CYBMUJFWSA-N 234.339 3.617 30 1 BHEF biogenic C=C1C(=O)C[C@@]2(C)C[C@H]1[C@@]1(C)CCC[C@@]21C 2356646401 AQEVLQOUEXYZOS-NGFQHRJXSA-N 218.340 3.738 30 1 BHEF CC1=C(O)[C@](C)(/C=C2/C=CCCC2)SC1=O 53185055 MZCRMMWCZVSRNM-KJJQSCHISA-N 236.336 3.517 30 1 BHEF C=C1C[C@@H]2[C@H](C=C1C)[C@@H](C(C)C)CC[C@@]2(C)O 2356473250 YXRUPFKBLNUVSR-KLHDSHLOSA-N 234.383 3.942 30 1 BHEF C=C1CC[C@@H]2[C@H]([C@@H]3[C@](C)(O)CC[C@@]13C)C2(C)C 2356570505 KMJLGCYDCCCRHH-XYTFPVCRSA-N 234.383 3.776 30 1 BHEF CC1=CC[C@]2([C@H](C)CC[C@@H]3OC3(C)C)C[C@@H]12 2356606336 MAJHBVOOMZYAJX-UKTARXLSSA-N 220.356 3.936 30 1 BHEF C=C(C)[C@@H]1CC[C@H](C)[C@@H]2CC(=O)C(C)=C2C1 15264615 CESATEXQMONATC-UHTWSYAYSA-N 218.340 3.904 30 1 BHEF biogenic C=C(C)c1oc2ccc(C(C)=O)cc2c1OC 238753731 FCPTUCUJMVWGBF-UHFFFAOYSA-N 230.263 3.677 30 1 BHEF C=C1CCC[C@H](C(C)C)[C@@H]2C(=C)[C@@H](O)C[C@H]12 2356379071 HJTLHPGMPPWULO-KBXIAJHMSA-N 220.356 3.552 30 1 BHEF CC1=CC(=O)[C@@H]2CC[C@@H](C(C)C)[C@@]2(C)CC1 2356701212 YJMPMKVSGMSRFT-KCQAQPDRSA-N 220.356 3.984 30 1 BHEF C=CCc1cccc2nc(C3CCC3)[nH]c12 586884148 KRYRDTGZYXAUJO-UHFFFAOYSA-N 212.296 3.559 30 1 BHEF C=C1C=C[C@@H](C(C)C)CC=C(C)[C@@H](O)CC1 2356663520 KMNKEJZZENNJLR-CABCVRRESA-N 220.356 3.862 30 1 BHEF CC(C)CCSc1ccc(C#N)c(C#N)c1 95562120 LOFGBGBCVMZHMR-UHFFFAOYSA-N 230.336 3.568 30 1 BHEF C=C(C)CC[C@]1(C)CCc2cc(O)ccc2O1 1857592210 YEKVFPDJBJSCQZ-OAHLLOKOSA-N 232.323 3.832 30 1 BHEF C=C1CC[C@@H](C(C)C)[C@]12CC=C(CO)CC2 13307456 KRFRPUONKQFTDH-GJZGRUSLSA-N 220.356 3.698 30 1 BHEF biogenic C=C1CCC(=O)CCC[C@@H]2[C@H]1CC2(C)C 14614570 SVROROODYLVLSH-QWHCGFSZSA-N 206.329 3.738 30 1 BHEF biogenic C=C1C(=O)O[C@@H]2CC(C)=CCC=C(C)CC[C@H]12 2356418249 CUGKULNFZMNVQI-ZIAGYGMSSA-N 232.323 3.551 30 1 BHEF CC1=C2CC[C@@H](C)[C@H]2[C@H]2[C@@H](CC1=O)C2(C)C 32296175 FUIPJCVSKAWFTI-KLPZLMTLSA-N 218.340 3.594 30 1 BHEF biogenic,in-vitro CCCCCCCCCCCC(=O)CC(=O)O 32838976 XLKOZYOVXNPWGT-UHFFFAOYSA-N 242.359 3.951 30 1 BHEF endogenous,in-man CC(C)=C1C[C@@H]2O[C@@]2(C)CCC[C@@H](C)CC1=O 2356529450 HNWLYWCHTWWEOA-UGFHNGPFSA-N 236.355 3.650 30 1 BHEF C=CCCCCC[C@@H]1O[C@H]1CC#CC#C/C=C\C 15269778 YSDPVCLBQZDPNI-MYDBLKEXSA-N 242.362 3.863 30 1 BHEF C=C1CCC[C@@]2(C)CC[C@H]3C[C@@]12O[C@H]3C 2356416509 WGUNTNPJVPKOEM-XDQVBPFNSA-N 206.329 3.690 30 1 BHEF CC1=CC=C[C@]2(C)CC(=O)C(=C(C)C)C[C@H]12 15208086 DVGWOFUZNUYQPS-UKRRQHHQSA-N 216.324 3.824 30 1 BHEF endogenous,in-man O=C(/C=C/c1cccc(Cl)c1)c1ccc[nH]1 653771354 YAKJTWICTNXZIR-VOTSOKGWSA-N 231.682 3.564 30 1 BHEF C=C(C)C=Cc1c(O)nc2ccccc2c1OC 2356581100 KOFVUVJGUULEKJ-UHFFFAOYSA-N 241.290 3.538 30 1 BHEF C=C(C)[C@@H]1CC[C@H](C)c2c1cc(C)c(O)c2O 13381392 RSZOVYRXXYVNDQ-ONGXEEELSA-N 232.323 3.963 30 1 BHEF biogenic C=C1CCC[C@H](CO)CC[C@H]2[C@H]1CC2(C)C 14920583 QPKKKWDNDWSIRV-IHRRRGAJSA-N 222.372 3.778 30 1 BHEF biogenic C=C(CC)C(=O)c1coc2ccccc12 587280698 SPQJXGXYCBWIQD-UHFFFAOYSA-N 200.237 3.582 30 1 BHEF C[C@@H]1CC[C@]23O[C@]2(C)CC[C@@H]2[C@@H]([C@@H]13)C2(C)C 2356444231 OZNHATCGPKOFBH-OYFKMHTJSA-N 220.356 3.626 30 1 BHEF CC[C@@H](C)N1CCC[C@@H](c2cccc(C#N)c2)C1 13738277 TYYIXERJKMDZBL-CZUORRHYSA-N 242.366 3.536 30 1 BHEF C=C(C)CC(=O)OC[C@H]1C[C@@H](C(=C)C)C1(C)C 14659692 DYIOGDMFNJSASB-OLZOCXBDSA-N 236.355 3.734 30 1 BHEF biogenic C=C1c2ccoc2[C@H]2O[C@@H]3C[C@@H](C)[C@@]2(C)[C@]13C 238755125 BZLUBAWCHRXHLR-ZENKMJSXSA-N 230.307 3.799 30 1 BHEF CC(=O)C1=CC[C@@H](CCc2ccccc2)CC1 26833813 MTDXRQOJEWPJOL-OAHLLOKOSA-N 228.335 3.935 30 1 BHEF C=C(C)[C@@H]1CC[C@@]2(C)CCC=C(C(=O)OC)[C@@H]2C1 33832768 IWKUFNFEQJRATO-IVMMDQJWSA-N 248.366 3.878 30 1 BHEF C=C1CCC=C(C)CC[C@@H]2[C@H]1C[C@@]2(C)CO 2356329955 DFMBJBXEHZSTJQ-ZNMIVQPWSA-N 220.356 3.698 30 1 BHEF C=C1C(=O)C[C@@H]2C[C@]3(C)CCCC(=C)[C@@H]3C[C@H]12 2356604285 WPNCTPSHEONZCO-NYTXWWLZSA-N 230.351 3.904 30 1 BHEF C=C[C@@](C)(CC[C@H]1OC1(C)C)c1ccc(O)cc1 34147408 YLCXVDLPJCMNDI-ZBFHGGJFSA-N 246.350 3.794 30 1 BHEF C=C(C(=O)OC)[C@@H]1CC[C@H](C)[C@H]2CCC(C)=C[C@@H]12 70451158 AOBAHYLCIGMCHX-PMOUVXMZSA-N 248.366 3.734 30 1 BHEF biogenic,in-vitro C=C(C)[C@@H]1CC[C@@]2(C)CCC(=O)C=C2C1 1715038 NBEKVDFBSCFXPP-RISCZKNCSA-N 204.313 3.658 30 1 BHEF CC(C)[C@H]1CC[C@@H](C)[C@@H]2CCC(=O)C=C21 38283738 AQNMVDGKNNYAEW-RTXFEEFZSA-N 206.329 3.594 30 1 BHEF C=CCCCCC=CC=CC#CC#C[C@H](O)CC 2356651798 CHURXZSRNKTJKF-QGZVFWFLSA-N 242.362 3.623 30 1 BHEF C=C1CC/C=C(\C(=O)O)CC[C@H]2[C@@H]1CC2(C)C 31872596 NXPSZVSYBXSYPZ-CUBYMHMKSA-N 234.339 3.790 30 1 BHEF CC(C)=CCc1ccc2c(C/C=N\O)c[nH]c2c1 166622312 DBTCDTYONKJKNS-IUXPMGMMSA-N 242.322 3.679 30 1 BHEF C=C(C)[C@@H]1CC[C@]2(C)[C@@H](O)CCC(=C)[C@H]2C1 257398052 CORHHSPHLRPKPM-KBXIAJHMSA-N 220.356 3.696 30 1 BHEF C=C1CCC[C@]2(C)CCC[C@@H](C(C)(C)O)[C@@H]12 2356402678 NAHDKZAHVIXVBA-UMVBOHGHSA-N 222.372 3.920 30 1 BHEF C=C[C@]1(C)C(=O)c2occ(C)c2C[C@H]1C(=C)C 13370420 RMLGJWOUYGEILN-WFASDCNBSA-N 230.307 3.711 30 1 BHEF biogenic C=C1CC[C@@H]2O[C@H]1[C@H]1[C@H](C(C)C)CC[C@@]21C 15166999 BITBXAWCPCNKKN-AHDPXTMNSA-N 220.356 3.792 30 1 BHEF endogenous,in-man COc1ccc(C/N=C/C2=C(O)CCCC2)cc1 101653936 KWBWCEVOBXNFGT-LFIBNONCSA-N 245.322 3.652 30 1 BHEF C=C1C=C[C@H](C(C)C)CC=C(C)[C@@H](O)CC1 2356663521 KMNKEJZZENNJLR-GJZGRUSLSA-N 220.356 3.862 30 1 BHEF C/C(=N\c1ccc(Cl)cc1)C1=C(O)OCC1 102236546 OPIZSJZELTURHA-RIYZIHGNSA-N 237.686 3.622 30 1 BHEF C=C(C)[C@@H]1CC[C@@H](C)[C@H]2CCC(C)=C2C1=O 2356400564 CJWIRAUUWUXYQH-KGYLQXTDSA-N 218.340 3.904 30 1 BHEF C[n+]1c2ccccc2cc2ccc(N=[N+]=[N-])cc21 16955063 YJJUMGXAQJONHF-UHFFFAOYSA-N 235.270 3.759 30 1 BHEF CC(C)(C)C(=O)/C=C/c1cnc2ccccc2c1 35994225 XROFVTPRFZVYMN-CMDGGOBGSA-N 239.318 3.863 30 1 BHEF in-vivo C=C1C(=O)O[C@@H]2/C=C(\C)CCC/C(C)=C\C[C@@H]12 85799837 YASQWKKSUDWLGB-UYIYPGMVSA-N 232.323 3.551 30 1 BHEF CC1=CC[C@@]2(CC1=O)[C@H](C(C)C)CC[C@H]2C 14413258 HBTHUBMUAHAWBC-IPYPFGDCSA-N 220.356 3.984 30 1 BHEF endogenous,in-man C=C(C(=O)O)[C@@H]1CC=C2CCC[C@@H](C)[C@]2(C)C1 15200547 FMWJHXDPCQWVEJ-HCKVZZMMSA-N 234.339 3.790 30 1 BHEF biogenic C=C(C)[C@@H]1CC[C@]1(C)[C@H]1CC=C(C(=O)O)CC1 15148397 BLGAJKOXJDHQAR-KCQAQPDRSA-N 234.339 3.790 30 1 BHEF biogenic N#Cc1c(C(F)F)[nH]c2cc(Cl)c(F)cc12 587629845 KXNPZPZJDZNLIB-UHFFFAOYSA-N 244.603 3.770 30 1 BHEF COc1ccc2ccccc2c1C[C@@H]1OC1(C)C 2356686190 WPJFRGIQCLHXCH-HNNXBMFYSA-N 242.318 3.568 30 1 BHEF CCCC[C@@H](C#N)c1ccc(Cl)cn1 95872397 ABBPPOIQUOQBJB-VIFPVBQESA-N 208.692 3.532 30 1 BHEF C=C[C@]1(C)CC[C@@H](C(C)C)[C@H](O)[C@H]1C(=C)C 238763405 WOULTTPZJDSDEI-LJISPDSOSA-N 222.372 3.798 30 1 BHEF CCCCCCCCCCNC(=S)OC 1618959 YLYFDVNILXLQQD-UHFFFAOYSA-N 231.405 3.648 30 1 BHEF C=C1CC[C@H](C(C)C)[C@@]12CC=C(C(=O)O)CC2 209024015 ZJXJQRXAMSBPTJ-UKRRQHHQSA-N 234.339 3.790 30 1 BHEF C=C(C)[C@@H]1CC[C@@H](C)[C@]12CC=C(CO)CC2 238755299 KBMDEJULGPFFGC-VHDGCEQUSA-N 220.356 3.698 30 1 BHEF C=CCCCC/C=C/C=C/C#C/C=C/C=C/CO 238772585 IWDABMVYFCSCSS-GWHWFOEJSA-N 242.362 3.953 30 1 BHEF Cc1ccc2c3c1[C@@H]1O[C@@H]1c1cccc(c1-3)[C@@H]1O[C@H]21 6009850 DATVPJORPPJYMB-HZMVEIRTSA-N 248.281 3.914 30 1 BHEF C=C1CC[C@H]2C[C@H]1C(C)(C)C[C@@H](O)/C=C/2C 195122974 CXCWPODYESQSPM-FDUVVWAGSA-N 220.356 3.696 30 1 BHEF C=CCC#CC#C[C@H](O)C=CCCCCCC=C 2356568403 AOVBGZVPTYLNNI-KRWDZBQOSA-N 242.362 3.623 30 1 BHEF C=C(C)[C@@H]1CC[C@@]2(C)CCCC(=C)[C@]2(O)C1 85757179 OEFZSVXJENLPRM-RBSFLKMASA-N 220.356 3.840 30 1 BHEF CCC(=O)/C=C/C=C/C=C/C1=NC(C)=CC=CC1 238772056 GJJSCPWOVZDEHA-OZTSFBTFSA-N 241.334 3.939 30 1 BHEF C=C(C)[C@H]1CC[C@]2(C)C=C(O)C(=O)C(C)=C2C1 2356480388 ANBQZRWVQGYZGU-XHDPSFHLSA-N 232.323 3.710 30 1 BHEF C=C1C(=O)C[C@H](C(C)C)[C@@]12CC=C(C)CC2 13307496 XDBOEVDBTVZZRP-UKRRQHHQSA-N 218.340 3.904 30 1 BHEF biogenic,in-vitro C=CCN(C)C1(c2ccccc2)CCCCC1 28260467 OACOKDOAVXIOFK-UHFFFAOYSA-N 229.367 3.964 30 1 BHEF N#Cc1ccc(C(=O)c2coc3ccccc23)cc1 587280465 GDMJPTUXVIDJTF-UHFFFAOYSA-N 247.253 3.535 30 1 BHEF C=C[C@]1(C)C=C2OC(=O)C(C)=C2C[C@H]1C(=C)C 2356794783 LKYACQYLIXCXCR-SWLSCSKDSA-N 230.307 3.532 30 1 BHEF CCCCCCCC[C@@H](O)/C=C1/CCCC1=O 43101005 DTSKTELVGYKEMV-WUFNSSIPSA-N 238.371 3.777 30 1 BHEF C=C1CCC(=O)[C@]2(C)CC[C@@H](C(C)C)C[C@@H]12 195786260 VFGDFTMUULURTA-VNHYZAJKSA-N 220.356 3.984 30 1 BHEF C=C1C(=O)O[C@H](c2ccccc2)[C@@H]1CCCC 196379175 BXTPVEMKSUYEKK-ZIAGYGMSSA-N 230.307 3.647 30 1 BHEF CC1=CC[C@H](C(C)C)[C@H]2C[C@H](C)C(=O)C=C12 34563696 MTZVTPNRLNIWQL-OUCADQQQSA-N 218.340 3.760 30 1 BHEF C=C(C)[C@H]1CC[C@@H](C)[C@@H]2CCC(C)=C2C1=O 238740384 CJWIRAUUWUXYQH-RTXFEEFZSA-N 218.340 3.904 30 1 BHEF C=C1CCC[C@@H]2O[C@]2(C)C[C@H]2[C@H]1CC2(C)C 2356505720 MOYYYOOVDGFOGG-PWNZVWSESA-N 220.356 3.936 30 1 BHEF C=C1CC[C@@H]2[C@H]([C@H]3[C@]1(C)CC[C@@]3(C)O)C2(C)C 2356570502 KMJLGCYDCCCRHH-CNRIWFPOSA-N 234.383 3.776 30 1 BHEF C=C1CCC[C@]1(C)[C@]1(C)CC=C(CO)CC1 15120123 SGASIZRGMDDXOM-CABCVRRESA-N 220.356 3.842 30 1 BHEF biogenic C=C[C@@]1(C)CCC(=O)[C@@](C)(CCC=C(C)C)O1 15160370 IPMAESOGOSAYQW-LSDHHAIUSA-N 236.355 3.816 30 1 BHEF biogenic C=CC(=O)[C@H]1CC[C@H](CC(C)(C)C)CC1 101441831 RIQHEZVAIWATHX-TXEJJXNPSA-N 208.345 3.984 30 1 BHEF CCSC1=C(C)N(/C=N/C(C)(C)C)CC1 1629155 SBWWBOQWXPHKEN-UKTHLTGXSA-N 226.389 3.504 30 1 BHEF CC(C)=CC#CC(C)=CC[C@H](O)c1ccoc1 2356312464 ATNZXEZRSMPUTL-HNNXBMFYSA-N 230.307 3.619 30 1 BHEF C=C(C)[C@@H]1CC[C@@H](C)C[C@H]1OC(=O)CC(C)C 6031094 DDDQJEKRFARGEE-HZSPNIEDSA-N 238.371 3.957 30 1 BHEF biogenic C=C[C@]1(C)CC[C@](O)(C(C)C)C[C@@H]1C(=C)C 15150001 IEPFBZDLASGILR-RBSFLKMASA-N 222.372 3.942 30 1 BHEF biogenic C=C1CC(C(C)C)=CC[C@@H]2[C@H]1CC[C@@]2(C)O 2356504985 MDWXTAJJDBSNKM-RRFJBIMHSA-N 220.356 3.696 30 1 BHEF Cc1cccc(Sc2cccc(N)c2C#N)c1 20466 VGPLRZAJQWYFDD-UHFFFAOYSA-N 240.331 3.600 30 1 BHEF in-vivo C=C1CC(=O)C[C@H](C)CC[C@@H]2[C@H]1CC2(C)C 13383882 XIFNHTVOUZHUCY-DDTOSNHZSA-N 220.356 3.984 30 1 BHEF biogenic Cc1cccc2sc(NN=C3CCCC3)nc12 103271868 DWHLEHJAUCQTAG-UHFFFAOYSA-N 245.351 3.947 30 1 BHEF CC(C)=C1C[C@@H]2O[C@]2(C)CC/C=C(\C)CC1=O 103555385 DWGVRYKQVZGSIB-GFKCUXFZSA-N 234.339 3.570 30 1 BHEF biogenic,in-vitro C=C(CC)[C@@H]1C[C@H](C(C)(C)O)C=CC1(C)C 238764221 LLKXNMNOHBQSJW-OLZOCXBDSA-N 222.372 3.942 30 1 BHEF C#CC=CC[C@@H]1CCC[C@@H]2N[C@@H](CC=C)CC[C@H]12 2356538625 LNNCEICYEONULV-TWMKSMIVSA-N 243.394 3.679 30 1 BHEF C=CC(=O)/C=C/C#C/C=C/C=C/CCCC 238742625 UWQSXRZVTSAVJI-GAVHPNJOSA-N 214.308 3.604 30 1 BHEF C=C1CC[C@@]2(C)C[C@@H]1[C@]1(C=O)CCC[C@]21C 238763921 WQOYFPJIOSPRJD-BYNSBNAKSA-N 218.340 3.738 30 1 BHEF CC(=O)CCC(C)=CCC[C@@H]1[C@@H](C=O)C1(C)C 2356685758 DFFNANWUVIXRPP-ZIAGYGMSSA-N 236.355 3.553 30 1 BHEF C/C1=C/C(=O)[C@@H](C(C)C)CC[C@H](C)C(=O)CC1 15255960 XAGZDWNJBFVXAE-POVPLDHISA-N 236.355 3.553 30 1 BHEF C=C(C(=O)O)[C@H]1CC[C@@H](C)[C@@H]2CCC(C)=C[C@H]12 38589999 PLQMEXSCSAIXGB-CABNGKKXSA-N 234.339 3.646 30 1 BHEF biogenic,in-vitro C=C1CCC[C@@](C)(CO)[C@@H]1CCc1ccoc1 1857613335 MSYNVXUZUQKMIG-CABCVRRESA-N 234.339 3.567 30 1 BHEF C=C1CCC(=O)[C@H](C)CC[C@@H]2[C@H]1CC2(C)C 3978615 GWBJPNAWYMBRLQ-FRRDWIJNSA-N 220.356 3.984 30 1 BHEF biogenic,in-vitro C=C1CC[C@H](C(C)(C)O)[C@@H]2C=C(C)CC[C@@H]12 2356737991 QHNDBEIHGDNMQH-MJBXVCDLSA-N 220.356 3.696 30 1 BHEF CC1=CC[C@@]2(CC1=O)[C@@H](C)CC[C@H]2C(C)C 6037735 HBTHUBMUAHAWBC-KCQAQPDRSA-N 220.356 3.984 30 1 BHEF in-man C=C[C@@]1(C)CC[C@@H](C(C)C)[C@@H](O)[C@@H]1C(=C)C 15149981 WOULTTPZJDSDEI-XQLPTFJDSA-N 222.372 3.798 30 1 BHEF C=CCc1cc(-c2cccc(OC)c2)ccc1O 72120372 CHYQQLFQBUMXIH-UHFFFAOYSA-N 240.302 3.796 30 1 BHEF CC1=C(O)[C@@](C)(CC2CCCCC2)SC1=O 101032234 KAXPGECXKUZZJW-CYBMUJFWSA-N 240.368 3.821 30 1 BHEF C=C(C)[C@@H]1C[C@H](O)[C@@]2(C)CCCC(=C)[C@@H]2C1 238760474 BFMDGLARCCRBDW-AJNGGQMLSA-N 220.356 3.696 30 1 BHEF C=C(C)CC#Cc1cc(Cl)ccc1OC 587898617 NWEWPDMQRCFASS-UHFFFAOYSA-N 220.699 3.666 30 1 BHEF C=C(C)[C@H]1CC(=O)[C@H]2CCC[C@H](C)[C@@]2(C)C1 238734289 MBCCYMFBPDSCIK-RMRHIDDWSA-N 220.356 3.984 30 1 BHEF C=C(C)[C@]1(O)CC[C@H](C)[C@H]2CCC(C)=C[C@H]21 2356615384 CUVJTROTJRHROZ-GBJTYRQASA-N 220.356 3.696 30 1 BHEF CC1=C[C@@H]2[C@@H](CC1=O)C(C)=CC[C@@H]2C(C)C 13298604 LMILVXQXGKTFSZ-RDBSUJKOSA-N 218.340 3.760 30 3 BHEF biogenic,in-vitro C=C(C(=O)O)[C@@H]1CC[C@H](C)[C@@H]2CCC(C)=C2C1 15264402 HEIJYTOSZVGQPT-BIMULSAOSA-N 234.339 3.790 30 1 BHEF biogenic CCCCc1ccc(N/C(C)=N\O)c(C)c1 26817899 PGJARXNKNOMWCS-UHFFFAOYSA-N 220.316 3.557 30 1 BHEF CC(C)=C1C[C@@H]2O[C@]2(C)CC[C@H]2C[C@@]2(C)CC1=O 2356421083 YMFOAVNNIBPOJO-VCOSZWKGSA-N 248.366 3.650 30 1 BHEF CC1=C[C@@H]2C(=C(C)C)CC[C@H](C)[C@@H]2CC1=O 2356515017 WCBCKXJLRYPWHZ-LEWSCRJBSA-N 218.340 3.904 30 1 BHEF C=C(C)[C@@H]1CC[C@@]2(C)O[C@]23CC[C@H](C)[C@H]3C1 238735781 OQZCYVPJJHEMSP-JARUQAPTSA-N 220.356 3.936 30 1 BHEF C=C1CCC[C@]2(C)CC[C@H](C(C)C)[C@@H](N)[C@@H]12 13352094 WDKGRMAUDLZWQE-KBUPBQIOSA-N 221.388 3.742 30 1 BHEF biogenic [N-]=[N+]=Nc1ccc2nc3ccccc3c(N)c2c1 27984173 BLGJHRPXXZXUQK-UHFFFAOYSA-N 235.250 3.912 30 1 BHEF CC1=CC(=O)[C@@]23[C@H]1C[C@@H](CC[C@H]2C)C3(C)C 197243967 BSDFKVHDDFHAFR-FJJYHAOUSA-N 218.340 3.594 30 1 BHEF C=C1CCC=C(COC)C(=O)C[C@H]2[C@H]1CC2(C)C 2356419124 HTWOQGPDBJPHIA-KBPBESRZSA-N 248.366 3.531 30 1 BHEF CC1(C)CC(O)=C/C(=N/c2ccc(O)cc2)C1 104088724 QMDPZDMLYYOVKJ-PTNGSMBKSA-N 231.295 3.727 30 1 BHEF CCC(=N\OC)/C(C)=C/c1ccc(F)cc1 116360051 LWLNRICWXNERKX-PANOFWHVSA-N 221.275 3.641 30 1 BHEF C/C=C/C#CC#C/C=C/C=C\CCCCCC=O 221231263 LTDHYWCQZMPBOF-MRKYAXMKSA-N 240.346 3.831 30 1 BHEF N#Cc1c(C2CCCC2)[nH]c2cc(F)ccc12 587636034 YBLUILDFCISITF-UHFFFAOYSA-N 228.270 3.836 30 1 BHEF CCCSCCC(=O)/C=C/c1ccccc1 27442187 KRAFNIWKUPDFHI-CMDGGOBGSA-N 234.364 3.802 30 1 BHEF C=C/C(C)=C/[C@@]1(C)SC(=O)C(CCC)=C1O 95921208 FWXFBNQENPGUSS-MMQHEFTJSA-N 238.352 3.763 30 1 BHEF in-vitro CC(C)(C)Cc1[nH]c2cccc(F)c2c1C#N 587635438 LJTOTPNWRLUJPO-UHFFFAOYSA-N 230.286 3.767 30 1 BHEF C=C1CC[C@H](C(C)C)[C@H](O)[C@@H]2[C@@H](C)CC[C@@H]12 2356670517 QVZYHISQRYCOFW-ZQNQSHIBSA-N 222.372 3.632 30 1 BHEF CC[C@@H](C)c1nc2cc(C#N)cc(Cl)c2[nH]1 587956209 OGFLUUIYAPCOAE-SSDOTTSWSA-N 233.702 3.601 30 1 BHEF C=C(C)[C@@H]1CC[C@H](C)[C@]12C=CC(=O)CC2 2356668740 ZYOSTGRSFWOFBC-FPMFFAJLSA-N 204.313 3.514 30 1 BHEF C/C=C(/C)C(=O)c1coc2ccccc12 587280686 RTCZJSDTLBBPQD-OQFOIZHKSA-N 200.237 3.582 30 1 BHEF CC1(C)[C@H]2C/C(=C\c3ccccc3)C(=O)[C@@H]1C2 1037186 NKWTXASMNZHMLU-QZKSUSQMSA-N 226.319 3.705 30 1 BHEF C=C(C)[C@H]1CC[C@H](C)[C@]12CC(=C(C)C)C(=O)O2 13412544 KHOTZHZBHNDKOB-NJZAAPMLSA-N 234.339 3.631 30 1 BHEF endogenous,in-man CC1=C(O)[C@@](C)(/C=C2/C=CCCC2)SC1=O 53021543 MZCRMMWCZVSRNM-CHOZFAJLSA-N 236.336 3.517 30 1 BHEF CC1(C)CCC[C@]2(C)C(=CO)C(=O)CC[C@@H]12 2356423266 SYMFXYDWORSDKZ-GXTWGEPZSA-N 222.328 3.624 30 1 BHEF C=C1O[C@H](O)C=C1CC[C@H]1C(=C)C=CCC1(C)C 2356807318 WGEYPQJERFBBPB-GJZGRUSLSA-N 246.350 3.714 30 1 BHEF Cc1ccc([C@H](C#N)c2ccc(Cl)cc2)nc1 95872996 TZDMNGXBDHKRPC-CYBMUJFWSA-N 242.709 3.699 30 1 BHEF C#C/C=C\C[C@@H]1CCC[C@@H]2N[C@H](CC=C)CC[C@@H]12 166984610 LNNCEICYEONULV-HTPHQWRHSA-N 243.394 3.679 30 1 BHEF C=C1C(=O)O[C@H](c2ccccc2)[C@H]1CCCC 196379164 BXTPVEMKSUYEKK-UONOGXRCSA-N 230.307 3.647 30 1 BHEF Cc1ccoc1-c1[nH]c2cc(F)ccc2c1C#N 587634804 FGDSNNFGZRGCCL-UHFFFAOYSA-N 240.237 3.747 30 1 BHEF c1ccc(/N=C2/CCc3ccccc3N2)cc1 16662357 FAQRBBKCMUZSRI-UHFFFAOYSA-N 222.291 3.775 30 3 BHEF CC(C)(C)c1c(CC#N)[nH]c2cc(F)ccc12 587635297 JNLYHYRILZAWKA-UHFFFAOYSA-N 230.286 3.671 30 1 BHEF C=C(C)[C@H]1CC[C@](C)(c2ccc(C)o2)O1 14723373 CCGNVBQNOBXWAI-DGCLKSJQSA-N 206.285 3.558 30 1 BHEF biogenic C=CCCc1nc2cccc3c2c(c1C)CC3 587213296 ICEZDBFGGUIPGE-UHFFFAOYSA-N 223.319 3.760 30 1 BHEF C[C@@H]1CCCC(/C=N/c2ccc(O)cc2)=C1O 101467789 JAUOQDBSYZYNSH-KXUVPBGPSA-N 231.295 3.727 30 1 BHEF C=C1CCC[C@H](C(C)C)[C@@H]2C(=C)[C@H](O)C[C@H]12 2356379073 HJTLHPGMPPWULO-TUVASFSCSA-N 220.356 3.552 30 1 BHEF CC(C)=C1C[C@H]2O[C@@]2(C)CC/C=C(/C)CC1=O 15160633 DWGVRYKQVZGSIB-ALLMMHQKSA-N 234.339 3.570 30 1 BHEF endogenous,in-man C=C(C)[C@@H]1CC[C@@H](C)[C@@]12CC(=C(C)C)C(=O)O2 230075399 KHOTZHZBHNDKOB-ZLDLUXBVSA-N 234.339 3.631 30 1 BHEF endogenous,in-man C=C(C(=O)OC)[C@@H]1CC=C2CCC[C@@H](C)[C@@]2(C)C1 2356737016 KMBKGQRONXQUPB-AXAPSJFSSA-N 248.366 3.878 30 1 BHEF C=C(C(=O)O)[C@@H]1C=C2C(C)=CCC[C@]2(C)CC1 15207996 PPPHDQNXPNUKNK-SWLSCSKDSA-N 232.323 3.710 30 1 BHEF biogenic C=C1[C@H]2C[C@H]2[C@@]2(C)Cc3occ(C)c3C[C@H]12 85511168 LSDFTLVXLBHDLA-BHPKHCPMSA-N 214.308 3.515 30 1 BHEF biogenic,in-vitro C=C1CC[C@]2(C)[C@H](O)[C@H]1[C@@]1(C)CCC[C@]21C 238744562 JKHYQMRSAYOHOA-JARUQAPTSA-N 220.356 3.530 30 1 BHEF C=C1CC[C@@]2(C)C[C@@H]1[C@]1(C(=O)O)CCC[C@]21C 238751079 VDQVZUARIGBYPI-MHEUCROKSA-N 234.339 3.624 30 1 BHEF C=C(C)[C@H](O)CC[C@@H](C)c1ccc(C)cc1O 13377464 ZAAFPTURZUGYOT-TZMCWYRMSA-N 234.339 3.521 30 1 BHEF biogenic C=CCN[C@]12CCCC[C@@H]1CCc1ccccc12 26156103 WDUANPFUTATVQW-NVXWUHKLSA-N 241.378 3.794 30 1 BHEF C=C1CCC[C@H]2CC(=O)C(=C(C)C)C[C@H]12 2356378114 WKMJPPKTUOCJJR-WCQYABFASA-N 204.313 3.658 30 1 BHEF C=CCCCCCC=CCC#CC#CC=CCO 2356683537 YIVFXIIHTUAIBW-UHFFFAOYSA-N 242.362 3.625 30 1 BHEF C=C1CC[C@@H](O)/C(C)=C/C[C@@H]2[C@@H]1CC2(C)C 137202188 DWUYGFWOANEJRE-ZHBPPSIXSA-N 220.356 3.696 30 1 BHEF CCCc1[nH]c2c(C)cc(Cl)cc2c1C#N 587624338 GYCZQAPFPBXBIB-UHFFFAOYSA-N 232.714 3.954 30 1 BHEF C=C1CC/C=C(\C)CC/C=C(\C)C[C@H]1O 59086807 NWBFVPGCVIAARR-PVBOWYOQSA-N 206.329 3.760 30 1 BHEF C=N[C@]1([C@@H]2CC[C@]3(C)CCCC(=C)[C@H]23)OC1(C)C 2356632989 WSLOWFIUNUZNEL-LUYZLQTOSA-N 247.382 3.965 30 1 BHEF C=C(CCOC)CC[C@H]1CCCCC(=C)C1=O 1654456 QSKMJCZCFIEPHA-CQSZACIVSA-N 236.355 3.675 30 1 BHEF C=C(C)[C@@H]1CC[C@]2(C)CC=C(CO)CC[C@H]12 13432038 AUASPLXQOHHJLG-ZNMIVQPWSA-N 220.356 3.698 30 1 BHEF biogenic Cc1csc(/N=C/c2ccccc2C)n1 40575984 RWWWHRYHNQVVLL-NTUHNPAUSA-N 216.309 3.511 30 1 BHEF C=C(C)C=CC(Cl)=C(C)CCOC(C)=O 2356311523 XLZRCUYYZGIJTQ-UHFFFAOYSA-N 228.719 3.585 30 1 BHEF C=C1CCC(=O)[C@H](C)CC[C@@H]2[C@@H]1CC2(C)C 3171697 GWBJPNAWYMBRLQ-JHJVBQTASA-N 220.356 3.984 30 1 BHEF biogenic C=C1CCC[C@]2(C)CC[C@H]([C@@H](NC=O)C(C)C)[C@@H]12 13374976 SEAGBPMCOQAENU-XUWVNRHRSA-N 249.398 3.530 30 1 BHEF biogenic C=C1[C@@]2(C)CCCC(C)(C)[C@H]2CC[C@@]1(C)O 15148112 SAJLLZGTTHMQBE-BPLDGKMQSA-N 222.372 3.920 30 1 BHEF biogenic C=C(C)c1cc2cc([C@@H](C)O)c(OC)cc2o1 15217076 UOMSNMCDUWFHEF-SECBINFHSA-N 232.279 3.528 30 1 BHEF biogenic C=C[C@@]1(C)CC[C@H]([C@@H](C)C(=O)CC=C(C)C)O1 33950088 FJKKZNIYYVEYOL-CFVMTHIKSA-N 236.355 3.672 30 1 BHEF endogenous,in-man C=CC(C)(C)c1nc2cc(C)c(C)cc2[nH]1 587954237 KHPYUMIBIIBHPR-UHFFFAOYSA-N 214.312 3.643 30 1 BHEF C=C[C@@]1(C)C(=O)c2occ(C)c2C[C@@H]1C(=C)C 13370412 RMLGJWOUYGEILN-IUODEOHRSA-N 230.307 3.711 30 1 BHEF biogenic,in-vitro C=C(C)C=C[C@]12O[C@]1(C)CC(C)(C)[C@@H]1C[C@H]12 2356328830 JEWBTTPLZBTNTA-QHSBEEBCSA-N 218.340 3.712 30 1 BHEF CC1(C)CCC[C@]2(C)C(=CO)C(=O)CC[C@H]12 2356423269 SYMFXYDWORSDKZ-TZMCWYRMSA-N 222.328 3.624 30 1 BHEF COc1ccc2ccccc2c1C[C@H]1OC1(C)C 238783052 WPJFRGIQCLHXCH-OAHLLOKOSA-N 242.318 3.568 30 1 BHEF Cc1ccc(/C=N\N=C/c2ccc(C)s2)s1 15985776 QXERRTVWENUEGZ-PVRNWPCDSA-N 248.376 3.879 30 1 BHEF CCCCCCc1ccc(N/C=N/O)cc1 26816993 OKLABFVDVTVNBC-UHFFFAOYSA-N 220.316 3.639 30 1 BHEF O=C(C=CNc1ccc(F)cc1)c1ccccc1 2356315173 BSQQOJXYUMFLJC-UHFFFAOYSA-N 241.265 3.634 30 1 BHEF C=C(C)C[C@@H](O)C[C@H](C)c1ccc(C)cc1 2356402653 MUXJDCRAAKAIMK-DZGCQCFKSA-N 218.340 3.816 30 1 BHEF C=C(C)C(=O)[C@@H]1CCC2=CCC[C@@H](C)[C@@]21C 13385646 BBPWHBFXPZVFJI-ZLDLUXBVSA-N 218.340 3.904 30 1 BHEF biogenic C=C1CC[C@@H](C(C)C)[C@@H]2/C(=C/C)C(=O)C[C@@H]12 14618372 PXEXQPYJEJLXLA-KFCMCJRJSA-N 218.340 3.760 30 1 BHEF C=C(C)[C@@H]1CC[C@@]2(C)CCC=C(C(=O)OC)[C@H]2C1 2356429816 IWKUFNFEQJRATO-XNRPHZJLSA-N 248.366 3.878 30 1 BHEF C=CCCCCC[C@H]1O[C@H]1CC#CC#CC=CC 2356433149 YSDPVCLBQZDPNI-SJORKVTESA-N 242.362 3.863 30 1 BHEF C=C1CCC[C@]2(C)CC[C@H]3C[C@@]12O[C@H]3C 2356416508 WGUNTNPJVPKOEM-IGQOVBAYSA-N 206.329 3.690 30 1 BHEF COc1ccc(/C=C/c2ccccc2C#N)cc1 39208877 SKRPXYQQWNZELK-RMKNXTFCSA-N 235.286 3.737 30 1 BHEF C=CCCCCC/C=C/[C@H](O)C#CC#C/C=C/C 238752404 BVVCAUWTOOENBU-IHQVWJBYSA-N 242.362 3.623 30 1 BHEF CC[C@@H](C)c1[nH]c2cc(F)ccc2c1C#N 587635704 PJKSOKYXSMPEON-MRVPVSSYSA-N 216.259 3.692 30 1 BHEF CC(C)C1=CC[C@]2(C)CCC[C@H](C)[C@@]23O[C@@H]13 2356608150 GPSWCNUIGKDSHT-MXAVVETBSA-N 220.356 3.936 30 1 BHEF N#Cc1ccccc1[C@H](C#N)/N=N/c1ccccc1 95588758 JHRBZSIEKUQWBT-MJWGMMHASA-N 246.273 3.907 30 1 BHEF O=C(/C=C/C1=CCCC=C1)C1=CC=CCC1 40392004 DZWUBJQDQFKBCH-VAWYXSNFSA-N 212.292 3.665 30 1 BHEF C=C[C@@]1(C)CC[C@@H]([C@@H](C)C(=O)CC=C(C)C)O1 33951358 FJKKZNIYYVEYOL-QEJZJMRPSA-N 236.355 3.672 30 1 BHEF endogenous,in-man C=CCCCCC/C=C\CC#C[C@@H](O)C=C 238768839 QZLDIWJZTTVYKZ-WOLCWHLNSA-N 218.340 3.620 30 1 BHEF C=C1[C@](C)(O)CC[C@@H]2C(C)(C)CCC[C@@]12C 15148114 SAJLLZGTTHMQBE-VHDGCEQUSA-N 222.372 3.920 30 1 BHEF biogenic Cc1[nH]c2ccc(F)c(Cl)c2c1CCC#N 587630788 PLYHAXNBUGPYIO-UHFFFAOYSA-N 236.677 3.725 30 1 BHEF C=C(C)C=C[C@]1(C)C(=O)CCCC1(C)C 2356412797 BUIXYBRVJFSDRY-CQSZACIVSA-N 206.329 3.904 30 1 BHEF C=C[C@]1(CO)CC[C@@H](C(=C)C)C[C@@H]1C(=C)C 2356747837 BEWDWUSHVLODOB-RBSFLKMASA-N 220.356 3.720 30 1 BHEF CC(=O)CC/C=C(/C)CC1=CC(C)(C)CC1=O 96911599 WSAXCZSLPACXPU-WDZFZDKYSA-N 234.339 3.617 30 1 BHEF CC1=C2[C@@H](CC1=O)[C@@H](C)[C@@H]1CCC(C)(C)[C@H]21 14558221 TXEVDRRVYILCKY-AEHQLWAISA-N 218.340 3.594 30 1 BHEF CC(=O)/C=C/C=C1/[C@@H]2CC[C@H](C2)C1(C)C 100072974 WDMFHQNUSVLQMS-FXWXERITSA-N 204.313 3.514 30 1 BHEF in-man C=C1CC/C=C(\C(=O)O)CC[C@@H]2[C@@H]1CC2(C)C 229766420 NXPSZVSYBXSYPZ-RLLAQXBXSA-N 234.339 3.790 30 1 BHEF C=C[C@@]1(C)CC(=O)C(C(C)C)=C[C@H]1C(=C)C 2356461017 RZWNNDIESGRUHW-ZFWWWQNUSA-N 218.340 3.926 30 1 BHEF CC=CC#CC#CC=CC=CCCC(=O)CCC 2356754141 JRTSGUNUURZHCS-UHFFFAOYSA-N 240.346 3.831 30 1 BHEF C=C1CC=CC(C)(C)[C@@]12CC[C@H](C)C(=O)C2 13385397 ZYEPHLBHZCRIHX-XHDPSFHLSA-N 218.340 3.904 30 1 BHEF biogenic CCCCCCCCC[C@@H]1C=CC(=O)O1 138097703 NOSYWYYBOOZFKS-GFCCVEGCSA-N 210.317 3.609 30 1 BHEF C=CCCCOc1cnc2cc(C)c(C)cc2n1 139815263 QDAOGFUTLNJHJY-UHFFFAOYSA-N 242.322 3.592 30 1 BHEF C=C(C)[C@@H]1CC[C@](C)(O)[C@H]2CC=C(C)[C@@H]2C1 2356624057 QKHYXKLHIXEAGP-QPSCCSFWSA-N 220.356 3.696 30 1 BHEF C=C1CCCC(C)(C)[C@H]2C=C(CO)CC[C@@H]12 14439356 MEEBLBVTPMZTSU-KBPBESRZSA-N 220.356 3.698 30 1 BHEF biogenic C=C(C(=O)O)[C@@H]1CC[C@]2(C)C=CC=C(C)[C@@H]2C1 15207972 WUAXEEZNSBQKSA-IPYPFGDCSA-N 232.323 3.566 30 1 BHEF endogenous,in-man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in-man C=C[C@](C)(O)CC[C@H]1C(=C)[C@H](C)CC=C1C 14954170 UAQRXAWGZKFMDP-DFBGVHRSSA-N 220.356 3.862 30 1 BHEF biogenic CC(C)=CCCc1ccc2c(c1)C(=O)C=CC2=O 29550821 LYCONGPDLAMOQE-UHFFFAOYSA-N 240.302 3.521 30 1 BHEF biogenic,in-vitro C=C1CC[C@]2(C)C[C@H]1[C@]1(C(=O)O)CCC[C@]21C 231253834 VDQVZUARIGBYPI-NGFQHRJXSA-N 234.339 3.624 30 1 BHEF C=C[C@@](C)(O)CCC[C@H](C)CC(=O)C=C(C)C 14452680 VQLQYAMTNKORFK-DZGCQCFKSA-N 238.371 3.655 30 1 BHEF biogenic CCCCCCCC(=O)CCCCCC(=O)O 59724750 CDYSHNKYPKNGES-UHFFFAOYSA-N 242.359 3.951 30 1 BHEF C=C[C@]1(C)CC[C@H](C(C)C)[C@H](O)[C@H]1C(=C)C 257608666 WOULTTPZJDSDEI-APIJFGDWSA-N 222.372 3.798 30 1 BHEF endogenous,in-man CC(C)=C1C[C@H]2O[C@@]2(C)CC/C=C(\C)CC1=O 230084027 DWGVRYKQVZGSIB-WTMFUUHESA-N 234.339 3.570 30 1 BHEF Cc1cc2c(cc1O)[C@H](C)CCC[C@]1(C)O[C@H]21 1857600235 JLRVGTKRQQFBRG-ZWZTZDBGSA-N 232.323 3.818 30 1 BHEF CC1=C[C@@H]2C(=C(C)C)C(=O)C=C(C)[C@H]2CC1 2356502056 WFCQRHPAVQIDTH-OLZOCXBDSA-N 216.324 3.824 30 1 BHEF C=CCCN1CC[C@H]2c3ccccc3CC[C@H]2C1 26157238 PNJAQRXFMJSZTD-DOTOQJQBSA-N 241.378 3.614 30 1 BHEF C[C@@H]1CCC(=O)C2=CC[C@@H]3[C@H](C3(C)C)[C@@]21C 2356427212 SFVXYZSILFBAPH-ZTYOMDHBSA-N 218.340 3.594 30 1 BHEF C=C(C)[C@@H]1CC[C@H](C)[C@@H]2CC[C@@](C)(O)[C@H]2C1 2356567817 BEWUYYKPXKLMEK-AIEDFZFUSA-N 222.372 3.776 30 1 BHEF C[n+]1c2ccccc2cc2cc(N=[N+]=[N-])ccc21 27979398 REASXVUVWSLKQT-UHFFFAOYSA-N 235.270 3.759 30 1 BHEF C=C(C)[C@H]1CC[C@@H]2C(=O)CC[C@H](C)[C@]2(C)C1 100826311 YHPOLTFUARNADB-XPCVCDNBSA-N 220.356 3.984 30 1 BHEF endogenous,in-man CCCCCC/C=C/C=C/C#CC#C/C=C/CO 136626600 MNRSGFGJPZSJIX-YJWTVKCOSA-N 242.362 3.625 30 1 BHEF C=C1CCC[C@]2(C)CC3=C(C[C@H]12)[C@H](C)C(=O)O3 238766526 HVXUKRCJYSIZFL-JVLSTEMRSA-N 232.323 3.590 30 1 BHEF C/C=C/C=C/C(=O)c1coc2cc(C#N)ccc12 587278437 GVRPCACOAODQIU-MQQKCMAXSA-N 237.258 3.619 30 1 BHEF CCCCCCC=CC=CC=NN=NO 2356696903 ZEPDNBQRELJMRH-UHFFFAOYSA-N 209.293 3.896 30 1 BHEF C=C(C)/C=C/c1ccc2[nH]cc(C/C=N/O)c2c1 169337064 AXIGXWXFKXWZDN-NKYNQIKBSA-N 240.306 3.760 30 1 BHEF C#CC(C)(C)C(=O)c1coc2ccc(Cl)cc12 587275905 HLDVLQINADOMAN-UHFFFAOYSA-N 246.693 3.928 30 1 BHEF CCCCCCCCc1cc(C)oc(=O)c1 43356584 PHBVZSWTIYRPBU-UHFFFAOYSA-N 222.328 3.851 30 1 BHEF C=C1CC[C@@H]2O[C@H]2CC[C@H]2[C@H]1CC2(C)C 238788495 GZWCKQLWJRQCOZ-CYDGBPFRSA-N 206.329 3.546 30 1 BHEF Cc1c(CC#N)[nH]c2c(C)cc(Cl)cc12 587624494 KGGWFGXWFMBBMZ-UHFFFAOYSA-N 218.687 3.504 30 1 BHEF C=C1C(=O)O[C@@H]2C=C(C)CCC[C@H](C)CC[C@@H]12 2356566251 DCNAVROPXHTJGM-LEWSCRJBSA-N 234.339 3.631 30 1 BHEF C=C[C@@H]1CC[C@H](C(C)C)C(=O)[C@@H]1C(=C)C 2356727623 QGRQKLHZONWMTM-JHJVBQTASA-N 206.329 3.616 30 1 BHEF C=C1C[C@H]2C=C[C@@H](C[C@@H]3[C@@H]1CC3(C)C)[C@]1(C)O[C@H]21 2356778439 VGYMECICNDNREG-HJZPKHDNSA-N 244.378 3.958 30 1 BHEF C=C(C)[C@]1(O)CCC2=CCC[C@@H](C)[C@]2(C)C1 2356388471 GXJHWPXQNVJRCC-SNPRPXQTSA-N 220.356 3.840 30 1 BHEF C=CCC=CCCC=CC=CC(=O)NCC(C)C 2356543341 LNARJATWMIXKCY-UHFFFAOYSA-N 247.382 3.784 30 1 BHEF C=C1CC[C@H]2[C@H]1[C@@H](C=C(C)CO)CC[C@H]2C 2356395091 KTJOVZDBQRSACR-NMFUWQPSSA-N 220.356 3.554 30 1 BHEF CC1=CC=C[C@@]2(C)CC(=O)C(=C(C)C)C[C@H]12 15208081 DVGWOFUZNUYQPS-HIFRSBDPSA-N 216.324 3.824 30 1 BHEF endogenous,in-man CC(=O)C=CC[C@H]1[C@H]2CC[C@@H](C2)C1(C)C 2356458557 PMWMFQBVQIZNOD-AVGNSLFASA-N 206.329 3.594 30 1 BHEF C=C(C)[C@H]1Cc2cc(OCC=C(C)C)ccc2O1 2356647189 FAJQLHWCSASARQ-MRXNPFEDSA-N 244.334 3.911 30 1 BHEF C(#C[C@H]1C[C@H]1c1c[nH]cn1)CCC1CCCCC1 13795293 RIUKBQARIDWZSC-LSDHHAIUSA-N 242.366 3.877 30 1 BHEF C=C1CCC[C@]2(CO)CC[C@@H](C(=C)C)C[C@@H]12 15207131 HSHCNLJAONXBOB-QLFBSQMISA-N 220.356 3.698 30 1 BHEF biogenic C=CCOc1ccc2c(c1)[nH]c1c(C)nccc12 66252192 JBSMSTGKQFHUBO-UHFFFAOYSA-N 238.290 3.589 30 1 BHEF C=C(C)[C@H](CCC(C)=O)C[C@H]1C(=O)CC[C@H]1C 2356390275 WHTKPKGWGJXQOR-MRVWCRGKSA-N 236.355 3.553 30 1 BHEF CC(C)=C1C[C@@H]2[C@](C)(CC1=O)C[C@@H]1C[C@]12C 2356733001 NLBIJGCDYLISQQ-QPKOPYBWSA-N 218.340 3.738 30 1 BHEF CC1=CC(=O)C2=C(C)CC[C@H]3[C@@H]([C@@H]12)C3(C)C 13372840 ITPIONJPPNGUJE-BPNCWPANSA-N 216.324 3.514 30 1 BHEF CCC(=O)/C=C\C=C\C=C/C1=N[C@H](C)C=CC=C1 13385343 WJIGOTVFVWHJRY-KMMVYIJHSA-N 241.334 3.590 30 1 BHEF endogenous,in-man C=C[C@]1(C)CC[C@H]([C@@](C)(O)CCC=C(C)C)O1 15160365 OIVTVPOJCWXSIC-KFWWJZLASA-N 238.371 3.608 30 1 BHEF biogenic C=CC(=O)C=C(SCC)c1ccccc1 2356837331 LJLXEZJYQIHVCY-UHFFFAOYSA-N 218.321 3.536 30 1 BHEF C#C[C@@]1(CCC)OC(=O)Nc2ccc(Cl)cc21 6381425 QOMQIYZUZZTHIM-ZDUSSCGKSA-N 249.697 3.531 30 1 BHEF C=C1CC[C@H](C(C)C)C2=C[C@@](C)(O)CC[C@@H]12 13381291 MQUAYICQWWZUAY-IPYPFGDCSA-N 220.356 3.696 30 1 BHEF biogenic CC1=CC[C@@H](C2=CC[C@H](C=O)CC2)C1(C)C 64624712 HPLBAXHYNYHWIT-JSGCOSHPSA-N 218.340 3.904 30 1 BHEF in-vitro C=C(C)C=C[C@@]1(C)C(=O)CCCC1(C)C 2356412796 BUIXYBRVJFSDRY-AWEZNQCLSA-N 206.329 3.904 30 1 BHEF C/C1=C/Cc2c(C)coc2C(=O)/C(C)=C/CC1 205025128 HPDPXMXGOKJKHX-IKVLVDHLSA-N 230.307 4.000 30 1 BHEF C=CCO/N=C/c1ccccc1-c1ccccc1 72180777 DPDMVNQRKMSSQT-GHRIWEEISA-N 237.302 3.890 30 1 BHEF C=C(C)[C@@H]1CC[C@@](C)(c2ccc(C)o2)O1 14723368 CCGNVBQNOBXWAI-AAEUAGOBSA-N 206.285 3.558 30 1 BHEF biogenic C=C(C)[C@H]1CC[C@@H](C)[C@]23CC[C@H](C)[C@@]2(C1)O3 85826884 RGRYQUWGSJPMMK-GZBLMMOJSA-N 220.356 3.936 30 1 BHEF in-man N#Cc1[nH]c2ccccc2c2nc3ccccc3c1-2 100821306 RVGQSLCAAZQGDT-UHFFFAOYSA-N 243.269 3.693 30 1 BHEF C=C(C)[C@@H]1CC2=C(C)CCC[C@]2(C)C[C@H]1O 2356578748 DEJQXLRIIOLSAB-NWANDNLSSA-N 220.356 3.840 30 1 BHEF CC(C)(C)O[C@@H]1[C@@H](C#Cc2ccccc2)C1(C)C 1089480 UNPREQGPSDDNAV-HUUCEWRRSA-N 242.362 3.878 30 1 BHEF C=C(C)[C@H](O)CC[C@H](C)c1ccc(C)cc1O 13377463 ZAAFPTURZUGYOT-GXTWGEPZSA-N 234.339 3.521 30 1 BHEF biogenic CC(C)=C1C/C=C(/C)CC[C@@H]2O[C@]2(C)CC1=O 15160630 BRHJBHVGLHMQCU-KGRKPJGKSA-N 234.339 3.570 30 1 BHEF endogenous,in-man C=C[C@](C)(O)CCC=C(C)CC(=O)C=C(C)C 2356573459 NYBCPVODSGRKRC-HNNXBMFYSA-N 236.355 3.575 30 1 BHEF CC(=O)C=CC=CC=CC=Cc1ccc(O)cc1 2356618357 ONNZAZQZGRSKKD-UHFFFAOYSA-N 240.302 3.663 30 1 BHEF C=C(C)[C@H]1CC[C@@H](C)[C@@]12C=C[C@](C)(O)CC2 13307425 JQFWFUWDWKVTCC-KBXIAJHMSA-N 220.356 3.696 30 1 BHEF C=C(C)[C@H]1CC[C@@]2(C)CCC[C@@](C)(O)[C@H]2C1 196195170 DPQYOKVMVCQHMY-BYNSBNAKSA-N 222.372 3.920 30 1 BHEF C=C1CC[C@@](O)(C(C)C)[C@@H]2C[C@H](C)CC[C@H]12 238754015 IJLDWTQSNMIJKQ-NMFUWQPSSA-N 222.372 3.776 30 1 BHEF C=C1CCC=C(C)[C@H](O)C[C@@H]2[C@@H]1CC2(C)C 299806990 OIEGRICJBAVBOD-MGPQQGTHSA-N 220.356 3.696 30 1 BHEF C=CC(C)(C)c1nc2cc(Cl)cc(F)c2[nH]1 587954301 OAMWMKWVJBFOIK-UHFFFAOYSA-N 238.693 3.819 30 1 BHEF C=C(C)[C@H](O)C=Cc1ccc(C(F)(F)F)cc1 1857622661 BSAKFIBWNHXYCK-GFCCVEGCSA-N 242.240 3.656 30 1 BHEF C=C1C=C[C@@H](C(C)C)C[C@H](O)C(=C)CCC1 2356406877 JUDKJOAKWBVHBX-CABCVRRESA-N 220.356 3.862 30 1 BHEF CC=CC#CC#CC=CC=CCC[C@@H](O)CCC 2356555443 VOLHLYKNKKLHHO-KRWDZBQOSA-N 242.362 3.623 30 1 BHEF C=N[C@]1([C@@H]2CC[C@@]3(C)CCCC(=C)[C@H]23)OC1(C)C 2356632991 WSLOWFIUNUZNEL-RRCSTGOVSA-N 247.382 3.965 30 1 BHEF C[C@@H]1CC=CC[C@H]1c1nc2ccc(C#N)cc2[nH]1 587967697 QWAJDPQTLZFFTL-ZYHUDNBSSA-N 237.306 3.504 30 1 BHEF CSC(=N/C=C/c1ccccc1)SC 1654818 RGWVCLUQWAYHJB-CMDGGOBGSA-N 223.366 3.739 30 1 BHEF C=C1CC[C@H](C)/C(C)=C/[C@H]2[C@H]1CC[C@]2(C)O 169332803 LMBNOBPWWFAPHY-ATCAXGPQSA-N 220.356 3.696 30 1 BHEF CO[C@H](c1ccccc1)[C@H]1O[C@@H]1c1ccccc1 169705218 HHARSFWIGYFTTK-BZUAXINKSA-N 240.302 3.514 30 1 BHEF C=C1CC[C@H](C(C)C)[C@@H]2C=C(C)[C@H](O)C[C@H]12 2356379874 JZVCCTGSDKAMAW-APIJFGDWSA-N 220.356 3.552 30 1 BHEF CC(C)=C1C=CC2=CC(=O)C[C@H](C)[C@@]2(C)C1 2356599330 UVFKNVNRLTXQTO-XHDPSFHLSA-N 216.324 3.824 30 1 BHEF CC1=CC[C@]2(CC1=O)[C@@H](C)CC[C@H]2C(C)C 6037738 HBTHUBMUAHAWBC-YDHLFZDLSA-N 220.356 3.984 30 1 BHEF endogenous,in-man C=C[C@@]1(C)CC[C@H](CO)C(C)(C)[C@H]1C(=C)C 70454456 OUHIEGFKRWELJI-NFAWXSAZSA-N 222.372 3.800 30 1 BHEF biogenic,in-vitro C=CC(C)(C)c1nc2ccc(C(C)(C)C)nc2[nH]1 587955670 SSCWJNHZNGZDGX-UHFFFAOYSA-N 243.354 3.719 30 1 BHEF C=C1[C@](C)(O)CC[C@H]2C(C)(C)CCC[C@@]12C 15148118 SAJLLZGTTHMQBE-AEGPPILISA-N 222.372 3.920 30 1 BHEF biogenic CC1=CCC[C@H](C=O)[C@@H]2CC(C)(C)[C@@H]2CC1 2356388854 VLWNRFXSKLVVEB-HZSPNIEDSA-N 220.356 3.984 30 1 BHEF C=C1[C@H]2[C@@H](C[C@@H]3CCC(C)(C)[C@@H]32)C[C@H]1OC(C)=O 2356786367 AOIWPSLNQPLIFJ-RMEBNNNOSA-N 248.366 3.567 30 1 BHEF C=C1CC[C@@H]2C(C)=CC[C@@H](C(C)C)[C@@H]2C1=O 32183989 VDMHNWBQSSGYNR-MJBXVCDLSA-N 218.340 3.760 30 1 BHEF C=C(C)[C@@H]1CC[C@@H](C)[C@H]2CC(=O)C(C)=C2C1 35923800 CESATEXQMONATC-RAIGVLPGSA-N 218.340 3.904 30 1 BHEF C=C1CCC[C@]2(C)CCC[C@H](C(C)(C)O)[C@@H]12 2356402676 NAHDKZAHVIXVBA-GZBFAFLISA-N 222.372 3.920 30 1 BHEF C=C(C(=O)O)[C@@H]1CC[C@]2(C)CCC[C@H](C)[C@H]2C1 2356440067 LWPUMUQNDCBNFC-ZGFBFQLVSA-N 236.355 3.870 30 1 BHEF CC1=CC=C[C@@]2(C)C[C@H]2C(=C(C)C)C(=O)C1 2356550852 LKVXZMOEBUURAJ-WFASDCNBSA-N 216.324 3.824 30 1 BHEF C=C1C(=O)c2ccccc2O[C@H]1c1ccccc1 26015046 MOLVQHHXMFNNFM-MRXNPFEDSA-N 236.270 3.559 30 1 BHEF C=C1CC[C@]2(C)C(=O)[C@H]1[C@]1(C)CCC[C@]21C 238731427 GSLXPYMFRFKNCG-MHEUCROKSA-N 218.340 3.738 30 1 BHEF C=C1C(=O)O[C@@H]2/C=C(\C)C/C=C(\C)CCC[C@@H]12 238748854 MXFLMEIBRFFKKN-YWHMQWIDSA-N 232.323 3.551 30 1 BHEF C=C1CCC[C@]2(C)CC[C@H]([C@H](NC=O)C(C)C)[C@@H]12 13374978 SEAGBPMCOQAENU-ZJIFWQFVSA-N 249.398 3.530 30 1 BHEF biogenic C=C1CC[C@H](C(C)C)C2=C[C@@](C)(O)CC[C@H]12 13381289 MQUAYICQWWZUAY-NFAWXSAZSA-N 220.356 3.696 30 1 BHEF biogenic C=C1CC(=O)C[C@@H](C)CC[C@@H]2[C@@H]1CC2(C)C 95910021 XIFNHTVOUZHUCY-ZLKJLUDKSA-N 220.356 3.984 30 1 BHEF biogenic,in-vitro C=C1CC(=O)C(=C(C)C)CC=C1CCC(C)=O 238741242 BNMLADIEKWZDFM-UHFFFAOYSA-N 232.323 3.538 30 1 BHEF CC1(C)c2ccoc2C[C@H]2C=C(CS)CC[C@H]21 15222151 PKAGIPGFVIAUKV-VXGBXAGGSA-N 248.391 3.996 30 1 BHEF biogenic C=C(C)[C@@H]1CC[C@@](C)(O)[C@H]2CC[C@@H](C)[C@H]2C1 33833352 VYOZKWKETGHHDW-ARILJUKYSA-N 222.372 3.776 30 1 BHEF endogenous,in-man C=C1CC[C@H](C(C)C)[C@H]2C(=CC)C(=O)C[C@H]12 2356517649 PXEXQPYJEJLXLA-UMVBOHGHSA-N 218.340 3.760 30 1 BHEF C[C@H](C=O)[C@@H]1CC[C@]2(C)[C@H]3CC[C@@H](C3)[C@]12C 2356784236 NTBLMLGSBLTBPJ-MNQBEEPXSA-N 220.356 3.674 30 1 BHEF C[C@@H]1CC[C@@H]2C(C)(C)C[C@@]3(C)C(=O)C=C[C@@]123 14708963 YMOJPIGWKYEAQC-HKCMKHECSA-N 218.340 3.594 30 1 BHEF biogenic C=C/C=N/c1c(Cl)c(O)c2ccccc2c1O 169691090 UTKFJTPITPPFNC-VIZOYTHASA-N 247.681 3.793 30 1 BHEF O=C(C/C=N/c1ccc(F)cc1)c1cccs1 169700608 UZJLEZYVNYVIND-OVCLIPMQSA-N 247.294 3.863 30 1 BHEF C=C/C=C/CC/C=C/C=C/C#C/C=C/[C@H](O)CC 238773437 MVKBONQMBUOZPH-IZXVLOTQSA-N 242.362 3.952 30 1 BHEF C=C1C=C[C@H]([C@@H](C)C[C@H](O)C=C(C)C)CC1 13377580 KRPZTCZJBVPGEM-SOUVJXGZSA-N 220.356 3.862 30 1 BHEF endogenous,in-man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biogenic C/C=C\C=C\C#C/C=C/C=C/CCCCC(=O)O 15274033 PQEDBXYGXRUDBS-MVYQUDTQSA-N 244.334 3.880 30 1 BHEF C=C1CCC[C@]2(C)CCC[C@H](C(C)(C)O)[C@H]12 2356402677 NAHDKZAHVIXVBA-KCQAQPDRSA-N 222.372 3.920 30 1 BHEF C=C1CCCC(C)(C)[C@H]1C=CC(C)=CC(=O)O 2356452395 NPLQKYGNQZPTFE-ZDUSSCGKSA-N 234.339 3.956 30 1 BHEF C=C(CCC[C@H](C)CC)C[C@@H](O)C[C@@H](C)CO 15214209 VBYQXYSSKALZIL-BPLDGKMQSA-N 242.403 3.529 30 1 BHEF endogenous,in-man CC(C)[C@@H]1CC[C@H](C)[C@]12C=CC(=O)CC2 14517644 DSSBTLQJLSPXEW-FPMFFAJLSA-N 206.329 3.594 30 1 BHEF biogenic C=C1C[C@@](C)(C=O)CC[C@@H]2[C@@H]1CC2(C)C 38325393 KHGAHZYLXXABTK-BZPMIXESSA-N 206.329 3.594 30 1 BHEF CC1(C)CC(=O)C(/C=N/C2CCCCC2)=C(O)C1 101960696 ADWLHYRPZAKXRT-MHWRWJLKSA-N 249.354 3.591 30 1 BHEF CCCCCCCCOc1ccc(S)nn1 106444802 MFCNJEGSSFMDHX-UHFFFAOYSA-N 240.372 3.505 30 1 BHEF CC1(C)c2ccoc2C[C@@H]2C=C(CS)CC[C@@H]21 13285 PKAGIPGFVIAUKV-RYUDHWBXSA-N 248.391 3.996 30 1 BHEF biogenic C=C1CC/C=C(/COC)C(=O)C[C@@H]2[C@H]1CC2(C)C 238768692 HTWOQGPDBJPHIA-LPEQCFEDSA-N 248.366 3.531 30 1 BHEF Clc1ccc(C=NN2CCCCCC2)cc1 254019268 VTWKRDLFXDLBMO-UHFFFAOYSA-N 236.746 3.550 30 3 BHEF C=C1CC[C@@H](C(C)C)[C@@H]2C=C(C)C(=O)C[C@@H]12 13381321 QUTSKAAVYUOEQA-IHRRRGAJSA-N 218.340 3.760 30 1 BHEF C=C1CC[C@H](C(C)C)[C@@H]2C(=CC)[C@@H](O)C[C@H]12 14618367 CYRJURSLHWHHQL-KBXIAJHMSA-N 220.356 3.552 30 1 BHEF biogenic COc1ccc(-c2coc3ccc(C#N)cc23)cc1 1857606592 VFVIBACTHQVRBE-UHFFFAOYSA-N 249.269 3.980 30 1 BHEF C=CC[C@H]1c2ccccc2CC[C@H]1NCCC 27741679 BZQXDYYMAHDTFU-JKSUJKDBSA-N 229.367 3.661 30 1 BHEF C=C1/C=C/[C@@H](C(C)C)C/C=C(\C)CC[C@H]1O 205066826 BWBBFQXPSPCQPX-VAEQNULSSA-N 220.356 3.862 30 1 BHEF biogenic C=C1C=C[C@@]2(C[C@@H]1O)[C@H](C(C)C)CC[C@H]2C 13307487 QLUSLBMNADHHII-QPSCCSFWSA-N 220.356 3.552 30 1 BHEF biogenic CCC(=N\O)/C(C)=C/c1ccc(F)c(F)c1 140856373 WRDLKTQRPOZITC-QWPOMPHKSA-N 225.238 3.608 30 1 BHEF Cc1[nH]c2c(C)cc(Cl)cc2c1CC#N 587624132 DNPIOTVSFBSGTN-UHFFFAOYSA-N 218.687 3.504 30 1 BHEF C=C1C(=O)O[C@@H]2/C=C(/C)CC/C=C(/C)CC[C@H]12 13831219 HRYLQFBHBWLLLL-WYQIJYEQSA-N 232.323 3.551 30 1 BHEF endogenous,in-man Cc1cccc(C#CC[C@H](C)c2ccccc2)n1 36373612 QVXDBDKPSMNGHQ-AWEZNQCLSA-N 235.330 3.935 30 1 BHEF in-vivo C=C1C=C[C@H]([C@@H](C)[C@H](O)CC=C(C)C)CC1 2356347152 COLXZUVHIZOLPD-QLFBSQMISA-N 220.356 3.862 30 1 BHEF C=C(C)[C@H]1CC[C@]2(C)CCCC(=C)[C@@]2(O)C1 15207104 OEFZSVXJENLPRM-KKUMJFAQSA-N 220.356 3.840 30 1 BHEF C=C(C)[C@]1(O)CCC2=CCC[C@@H](C)[C@@]2(C)C1 2356388472 GXJHWPXQNVJRCC-YUELXQCFSA-N 220.356 3.840 30 1 BHEF C=C[C@@H]1O[C@H](C)[C@H]2C[C@H](C(C)C)CC2=C1C 14439927 BQYBPRDNNXMGLD-GBOPCIDUSA-N 220.356 3.958 30 1 BHEF biogenic C=C(CO)[C@@H]1CC[C@@H](C)[C@@H]2CCC(C)=C[C@H]21 14918122 CZSSHKCZSDDOAH-UQOMUDLDSA-N 220.356 3.554 30 1 BHEF biogenic,in-vitro CC/C(=N\c1ccccc1)C1=C(O)CCCC1=O 101597269 ZOPROORFJLLJCC-FOWTUZBSSA-N 243.306 3.734 30 1 BHEF CC(=Cc1ccccc1)C(=O)c1ccccc1 1857742204 DKKXNYQFLLVEHQ-UHFFFAOYSA-N 222.287 3.973 30 1 BHEF C=CCCCCC[C@@H]1O[C@@H]1CC#CC#CC=CC 2356433146 YSDPVCLBQZDPNI-DLBZAZTESA-N 242.362 3.863 30 1 BHEF C=CC=CC=CC(=CC#CC#CC)SC 2356577641 LABBLCKGUPHUSZ-UHFFFAOYSA-N 214.333 3.558 30 1 BHEF C=C(C)[C@H]1CC[C@@]2(C)CCCC(=C)[C@@]2(O)C1 15207099 OEFZSVXJENLPRM-ZNMIVQPWSA-N 220.356 3.840 30 1 BHEF C=CCCCCC[C@@H](O)/C=C\C#CC#C/C=C\C 15269934 DDWUABWPXPSLAB-JPZFZPFNSA-N 242.362 3.623 30 1 BHEF Oc1ccc(F)cc1/C=N/c1ccccc1Cl 64490604 AJYCTBQDHHCRDR-LZYBPNLTSA-N 249.672 3.935 30 1 BHEF C/C=C\C#CC#C/C=C/C=C\CCCCCC=O 221231212 LTDHYWCQZMPBOF-MUEMXHCKSA-N 240.346 3.831 30 1 BHEF C=C1CCCC(C)(C)[C@@H]1C=CC(C)=CCO 2356548879 IMXZGMHVWXWJPL-CQSZACIVSA-N 220.356 3.864 30 1 BHEF CCCCCCCCc1nccnc1OCC 43834757 XTUICNHKCKZJSI-UHFFFAOYSA-N 236.359 3.778 30 1 BHEF CC(C)(C)C[P+](C)(C)c1ccccc1 73355689 WKPWKDFQHMSTTL-UHFFFAOYSA-N 209.293 3.635 30 1 BHEF CC1(C)[C@@H]2C/C(=C\c3ccccc3)C(=O)[C@@H]1C2 102950129 NKWTXASMNZHMLU-YJPQANQASA-N 226.319 3.705 30 1 BHEF C=C(CO)[C@@H]1CCC2=CCC[C@H](C)[C@]2(C)C1 15200611 YXKFKSFIOIGJMR-GUTXKFCHSA-N 220.356 3.698 30 1 BHEF biogenic CCC(=N\O)/C(C)=C/c1cc(F)c(F)c(F)c1 140856565 FPMULNOOMRYVLW-UYHGDYIZSA-N 243.228 3.747 30 1 BHEF C=C1CC[C@@H](O)[C@]2(C)CC[C@H](C=C(C)C)[C@@H]12 231183310 CZFKRGCIADMIRY-TUVASFSCSA-N 220.356 3.696 30 1 BHEF C=C1CC/C=C(\C)C(=O)c2occ(C)c2C(=O)C1 40847907 KELZYRMOEAISJM-UXBLZVDNSA-N 244.290 3.640 30 1 BHEF CC(/C=N/O)=C\c1ccc(C(C)(C)C)cc1 45336634 PHUKDWIKVLATRS-VMPIADEKSA-N 217.312 3.847 30 1 BHEF N#Cc1ccc(Nc2ccc3ccccc3n2)cc1 82157644 JZDNZCWNJDKQQY-UHFFFAOYSA-N 245.285 3.850 30 1 BHEF C=C1CCC=C(C)CC[C@@H]2[C@H]1C[C@]2(C)CO 2356329954 DFMBJBXEHZSTJQ-RRFJBIMHSA-N 220.356 3.698 30 1 BHEF C=C(C)[C@@H]1CC[C@]1(C)CCOC(=O)[C@H](C)CC 2356553106 NRIGIDJZDUBPCH-VNHYZAJKSA-N 238.371 3.958 30 1 BHEF CC(C)=CC(=O)C[C@H](C)CCC(=O)c1ccoc1 14611754 TXLOBTVRMBXIAI-GFCCVEGCSA-N 248.322 3.804 30 1 BHEF biogenic C#CC=CC[C@@H]1CCC[C@@H]2N[C@@H](CC=C)CC[C@@H]12 2356538624 LNNCEICYEONULV-QZWWFDLISA-N 243.394 3.679 30 1 BHEF CC=CC#CC#C[C@@H](O)C=CCCCCCCC 2356554382 VYFQRHHQNNXVTJ-QGZVFWFLSA-N 244.378 3.847 30 1 BHEF CC1=CCC[C@]2(CO2)[C@@H]2CC(C)(C)[C@@H]2CC1 2356588598 AURKDPLYMRHYAY-NFAWXSAZSA-N 220.356 3.938 30 1 BHEF C=CC[C@@]12N[C@H](Cc3ccccc31)c1ccccc12 100659912 ZEZKMPQSDDFEQR-QZTJIDSGSA-N 247.341 3.707 30 1 BHEF Cc1c([C@@H](C)C#N)[nH]c2cc(Cl)c(F)cc12 587630624 NCLDGYOJAKMQHE-LURJTMIESA-N 236.677 3.896 30 1 BHEF CC1=C2CC[C@H](C)[C@@H]2[C@@H]2[C@H](CC1=O)C2(C)C 13373011 FUIPJCVSKAWFTI-LDZXTUBUSA-N 218.340 3.594 30 1 BHEF biogenic C/C1=C/CC[C@@]2(CO2)[C@@H]2CC(C)(C)[C@@H]2CC1 13383724 AURKDPLYMRHYAY-ORABUEDLSA-N 220.356 3.938 30 1 BHEF endogenous,in-man CC1=CC[C@@H](C2=CC[C@@]3(CC2)CO3)C1(C)C 64624736 SRNBAOJKZYTEEY-DZGCQCFKSA-N 218.340 3.858 30 1 BHEF in-vitro C=C1[C@H]2CC[C@@](C=O)(C2)[C@]1(C)C1CCCC1 2356754650 IMYOTFHEEDHDJO-QEJZJMRPSA-N 218.340 3.738 30 1 BHEF C=C(C)CC(=O)OC[C@H]1C[C@H](C(=C)C)C1(C)C 14659697 DYIOGDMFNJSASB-CHWSQXEVSA-N 236.355 3.734 30 1 BHEF biogenic C=C(C(=O)O)[C@@H]1CC=C2CCC[C@H](C)[C@]2(C)C1 15200549 FMWJHXDPCQWVEJ-NVBFEUDRSA-N 234.339 3.790 30 1 BHEF biogenic CN/C(=N\c1ccccc1Cl)SC(C)C 28333852 FFCJYKZCPPMFOL-UHFFFAOYSA-N 242.775 3.689 30 1 BHEF CCCc1cc(C2CCCCCC2)nc(C#N)n1 38264299 UOAUUFFKQMFGTJ-UHFFFAOYSA-N 243.354 3.739 30 1 BHEF in-vivo C=CCCCCCCC=CC=C[C@H](C)N 2356441873 HHJQIQYLOSKHKZ-AWEZNQCLSA-N 207.361 3.973 30 1 BHEF C=C1C=C[C@@H]([C@]2(C)CCCC2(C)C)C[C@@H]1O 13412284 SDHORTCDXPFLAK-IPYPFGDCSA-N 220.356 3.696 30 1 BHEF C=C(C)[C@H]1CC2=C(C)CCC[C@]2(C)[C@H](O)C1 15206937 IKGXPRLTFOMFQV-CFVMTHIKSA-N 220.356 3.840 30 1 BHEF C=C[C@@]1(C)CC[C@@H](C(C)(C)O)C[C@@H]1C(=C)C 70455154 GFJIQNADMLPFOW-NFAWXSAZSA-N 222.372 3.942 30 1 BHEF biogenic,in-vitro C=C(C)[C@H]1CC/C(C)=C/CC[C@@H]2C=C1OC2=O 138407418 KRUFLIKMAWYHTI-PUZDAVHHSA-N 232.323 3.756 30 1 BHEF C=CCc1cccc2nc([C@@H](C)CC)[nH]c12 587955920 MCXLNKDJMBEEAF-JTQLQIEISA-N 214.312 3.805 30 1 BHEF C=C1CCC[C@]2(C)CC[C@@H](C(C)C)[C@@H](O)[C@@H]12 15209483 MSJJKJCIFIGTJY-GBJTYRQASA-N 222.372 3.776 30 1 BHEF endogenous,in-man CC1=CC(=O)[C@@H]2[C@@H]3[C@H]1[C@@]2(C)CCCC3(C)C 39076044 KTPOZFYJWLGJGH-SFDCQRBFSA-N 218.340 3.594 30 1 BHEF C#CC=CC[C@@H]1CCC[C@@H]2N[C@H](CC=C)CC[C@@H]12 2356538623 LNNCEICYEONULV-NCOADZHNSA-N 243.394 3.679 30 1 BHEF C=C1CC/C=C(\C)[C@H](O)C[C@@H]2[C@@H]1CC2(C)C 34062223 OIEGRICJBAVBOD-WGAXFZFBSA-N 220.356 3.696 30 1 BHEF C=C(C)[C@@H](O)CC[C@H](C)c1ccc(C)cc1O 13377461 ZAAFPTURZUGYOT-JSGCOSHPSA-N 234.339 3.521 30 1 BHEF biogenic CCOc1scc(-c2ccc(F)cc2)c1C#N 28351345 BWVCUFBULABLHN-UHFFFAOYSA-N 247.294 3.825 30 1 BHEF CC1=C[C@@H]2[C@@H](CC(=O)C(C)=CCC1)C2(C)C 2356806435 VTFXNPIKZFBNTG-CHWSQXEVSA-N 218.340 3.904 30 1 BHEF C/C=C(/C)C#Cc1cc(Cl)ccc1OC 587898390 HGQODTXNQBCQTC-WMZJFQQLSA-N 220.699 3.666 30 1 BHEF CCc1ccc2nc(C#Cc3ccccc3)[nH]c2c1 587953676 PYTBJZYGLJHNFK-UHFFFAOYSA-N 246.313 3.525 30 1 BHEF C=C1CC[C@H](C(C)C)[C@@H]2C[C@H](C)C(=O)C[C@@H]12 2356459035 YXYPLDHJBJSHKO-CRWXNKLISA-N 220.356 3.840 30 1 BHEF C=C1CN2[C@@H]3CC[C@@H]2[C@H]1[C@H](c1ccc(C)cc1)C3 101090379 BMNNHOAPHMYHIH-YYIAUSFCSA-N 239.362 3.501 30 1 BHEF C=C1[C@H]2CC[C@@H](C(=O)OC)[C@@]23CC[C@H](C3)C1(C)C 238756707 DZVKVIGAEDEAIN-NFFDBFGFSA-N 248.366 3.568 30 1 BHEF C[C@@H]1C[C@@H]1c1[nH]c2cc(Cl)c(F)cc2c1C#N 587630338 JEIPAHNVUAUALK-RQJHMYQMSA-N 248.688 3.955 30 1 BHEF C=C1CCC=C[C@H](C)C(=O)[C@H]2[C@H]1CC2(C)C 2356587590 QGLAKZJZPXRQJR-RWMBFGLXSA-N 218.340 3.760 30 1 BHEF C=C1CC[C@@H]2O[C@@H]1[C@@H]1[C@@H](C(C)C)CC[C@@]21C 104374432 BITBXAWCPCNKKN-QTVXIADOSA-N 220.356 3.792 30 1 BHEF in-man C=C1CC[C@]2(C)C[C@H]1[C@]1(C)CC(=O)C[C@@]12C 238764618 QDOQZVPLNFNMPI-APIJFGDWSA-N 218.340 3.738 30 1 BHEF C=C1CCC[C@]2(C)CC[C@H](C(NC=O)=C(C)C)[C@H]12 14858430 VNVRTDPAIPTZEL-OFQRWUPVSA-N 247.382 3.799 30 1 BHEF biogenic CCCCCCCc1cccc2cncn12 36242189 TYMNZSSZEINRIM-UHFFFAOYSA-N 216.328 3.847 30 1 BHEF C=C1C(=O)C[C@H]2[C@H]3CC[C@@H](C)[C@@]12CC3(C)C 1858427 JDGYVUJBJYXKSX-NYMYIZQJSA-N 218.340 3.594 30 1 BHEF biogenic C=C(C)[C@@H](O)/C=C/c1ccc(C(F)(F)F)cc1 8860544 BSAKFIBWNHXYCK-ZCRIDZFUSA-N 242.240 3.656 30 1 BHEF CC1=CC(=O)[C@H]2C[C@@]13C[C@@H](C(C)C)CC[C@]23C 2356329651 JIVNCYKRHXSPEU-XNISGKROSA-N 232.367 3.984 30 1 BHEF C#CCN(C)[C@@H](C)CCCCCCCC 95544089 SYTFCSLHNXBWJU-AWEZNQCLSA-N 209.377 3.691 30 1 BHEF CC(=O)CCC=C(C)CC[C@@H]1[C@@H](C=O)C1(C)C 2356581884 OWXSNWCHPCHSFO-ZIAGYGMSSA-N 236.355 3.553 30 1 BHEF C=C(C)[C@@H]1CC=C2[C@H](O)CC[C@@H](C)[C@]2(C)C1 2356725891 NJWPLFBOSCSZFA-GBOPCIDUSA-N 220.356 3.696 30 1 BHEF C=C1[C@@H](O)CC[C@]2(C)[C@H]3CC[C@@]12CC3(C)C 2356734802 WAAGDSRYOTWUKB-DDHJSBNISA-N 220.356 3.530 30 1 BHEF CCCCCCCC(=O)[C@H](C=O)CCCC 103276041 XLHIMKXMZZMWJU-ZDUSSCGKSA-N 226.360 3.921 30 1 BHEF C=C1C=C[C@H]([C@H](C)C[C@H](O)C=C(C)C)CC1 13377581 KRPZTCZJBVPGEM-QLFBSQMISA-N 220.356 3.862 30 1 BHEF endogenous,in-man Cc1ccc(/C=N/c2nc(C)cs2)cc1 40753135 XCLZPFWMWOGGMI-NTUHNPAUSA-N 216.309 3.511 30 1 BHEF C=C1CCC[C@]2(C)CC[C@@H](C(C)C)[C@H](O)[C@H]12 231403418 MSJJKJCIFIGTJY-ZQDZILKHSA-N 222.372 3.776 30 1 BHEF CC1=CC[C@H](C(C)C)[C@@H]2C[C@H](C=O)CC[C@@H]12 2356654495 YNJVDSYCRWSLLF-KBXIAJHMSA-N 220.356 3.840 30 1 BHEF CC1=CCCC(=O)C=C[C@@H]2[C@@H](CC1)C2(C)C 2356735095 WCZCSOXIWRFHNZ-ZIAGYGMSSA-N 218.340 3.904 30 1 BHEF C=C(C(=O)O)[C@@H]1CCC2=CCC[C@@H](C)[C@]2(C)C1 15200524 IOHUKXKGHJOVIW-HCKVZZMMSA-N 234.339 3.790 30 1 BHEF biogenic C=C1C(=O)O[C@@H]2/C=C(\C)CCC[C@H](C)CC[C@H]12 100076770 DCNAVROPXHTJGM-DKWJYAAYSA-N 234.339 3.631 30 1 BHEF biogenic,in-vitro C=C(C)[C@H]1C[C@]2(C)C(=CC1=O)CCC[C@@H]2C 111960783 DIZRSLUNVNGBPA-LNSITVRQSA-N 218.340 3.904 30 1 BHEF C(#C[C@@H]1C[C@@H]1c1c[nH]cn1)CCC1CCCCC1 13795284 RIUKBQARIDWZSC-CABCVRRESA-N 242.366 3.877 30 1 BHEF C=C(C)[C@@H]1CC[C@@H]2CCC[C@@](C)(O)[C@]2(C)C1 2356608518 AJAZIQKKRHDLGH-LXTVHRRPSA-N 222.372 3.920 30 1 BHEF C=C1CC[C@@H]2[C@H]([C@@H]3C[C@H](C)C[C@H]13)[C@@]2(CN)CCC 2356638278 XWAUJEHNVCPJSC-JWQALPOXSA-N 247.426 3.990 30 1 BHEF C=CCO[C@H](/C=C/c1ccccc1)CC 13828803 SGAZPFCDGVXRHM-VNDWYCCKSA-N 202.297 3.681 30 1 BHEF C=C(C)[C@H]1CC[C@@]2(C)CCCC(C(=O)O)=C2C1 15206247 UPRJMZGSOCQFML-XHDPSFHLSA-N 234.339 3.934 30 1 BHEF biogenic CCc1ccc(/C=C/C(=O)c2cc(C)oc2C)o1 98083456 IZRNNQUYVVOAJW-BQYQJAHWSA-N 244.290 3.948 30 1 BHEF Cc1[nH]c2c(C)cc(Cl)cc2c1CCC#N 587624506 KTRNBYOSBABVHC-UHFFFAOYSA-N 232.714 3.894 30 1 BHEF O=C1/C(=C/c2ccc(Cl)o2)Cc2ccccc21 1857633112 JFPRJZDHCCRLQD-CSKARUKUSA-N 244.677 3.755 30 1 BHEF Cc1ccc([C@H](C)CC[C@H]2OC2(C)C)c(O)c1 95577346 UQPUIYSLIAOKCT-BXUZGUMPSA-N 234.339 3.762 30 1 BHEF C=C(C)[C@H]1CC[C@H]2C(=O)CC[C@@H](C)[C@]2(C)C1 100826306 YHPOLTFUARNADB-OSFYFWSMSA-N 220.356 3.984 30 1 BHEF endogenous,in-man C=C(CC)[C@H]1C[C@H](C(C)(C)O)C=CC1(C)C 2356382057 LLKXNMNOHBQSJW-CHWSQXEVSA-N 222.372 3.942 30 1 BHEF C=C1CC[C@H](C(C)C)[C@H](O)[C@H]2[C@@H]1CC[C@H]2C 2356670516 QVZYHISQRYCOFW-RYPNDVFKSA-N 222.372 3.632 30 1 BHEF CCCCCCCC[C@H]1OC(C)=CC1=O 100776031 ZLLDSWALGJWTSW-CYBMUJFWSA-N 210.317 3.609 30 1 BHEF endogenous,in-man C=C[C@@]1(C)CC[C@@H]([C@](C)(O)CCC=C(C)C)O1 141629119 OIVTVPOJCWXSIC-SOUVJXGZSA-N 238.371 3.608 30 1 BHEF C=C1CCC[C@H](C=O)CC[C@@H]2[C@@H]1CC2(C)C 14920613 QRSRVOUYGXKOHE-BFHYXJOUSA-N 220.356 3.984 30 1 BHEF biogenic C=CCc1cccc(OCCCC)c1OC 103280925 JNQCXTVILJSJBY-UHFFFAOYSA-N 220.312 3.603 30 1 BHEF CCCC[C@H]1C=CC(=O)/C1=C/CC(C)C 169742197 JMZMUSAQYGYPIK-OQZOHAQUSA-N 206.329 3.904 30 1 BHEF C/C1=C\CC[C@@H](C=O)[C@H]2CC(C)(C)[C@@H]2CC1 238770762 VLWNRFXSKLVVEB-QRKFZFJBSA-N 220.356 3.984 30 1 BHEF C=C1CCC=C(C)CC[C@@H]2[C@@H]1[C@@H](O)C2(C)C 2356408370 DNWWLTIHFSGXHB-MGPQQGTHSA-N 220.356 3.696 30 1 BHEF C=C(C)[C@@H]1CC[C@H](C)[C@]2(O)CCC(C)=C[C@@H]12 2356427144 PWEFVGUEHRMHKN-ZQDZILKHSA-N 220.356 3.696 30 1 BHEF C=C1C=C[C@@H](C(C)C)CC=C(C)[C@H](O)CC1 2356663522 KMNKEJZZENNJLR-HUUCEWRRSA-N 220.356 3.862 30 1 BHEF C=C[C@@]1(C)CC/C=C(/C)CC[C@@H](C(C)(C)O)O1 49792903 LWYUSWLRBKNRLB-QFGWSVGLSA-N 238.371 3.608 30 1 BHEF C=C1CCCC(C)=C[C@@H]2OC(=O)[C@H](C)[C@@H]2CC1 2356330763 UZVSMYIAXFVOFU-RDBSUJKOSA-N 234.339 3.631 30 1 BHEF C=C(CO)[C@@H]1CC[C@]2(C)CCCC(=C)[C@@H]2C1 85757105 FKWGZOFNSIESOX-ILXRZTDVSA-N 220.356 3.698 30 1 BHEF endogenous,in-man C=C(CCC[C@@H](C)CC)C[C@H](O)C[C@H](C)CO 238783239 VBYQXYSSKALZIL-QEJZJMRPSA-N 242.403 3.529 30 1 BHEF Cc1ccc(-c2[nH]c3cccc(F)c3c2C#N)o1 587634704 BOYVHGONYKKNST-UHFFFAOYSA-N 240.237 3.747 30 1 BHEF C=CCCCCCCC=CC#CC#CC(=O)C=C 2356583376 SDLHNQGTGGNOQZ-UHFFFAOYSA-N 240.346 3.831 30 1 BHEF C=C1CC[C@H](C(C)C)C[C@]12CCC[C@@]2(C)O 14713725 AEUBOEQPIBOTGP-RRFJBIMHSA-N 222.372 3.920 30 1 BHEF biogenic C=C1CC[C@@H](O)[C@]2(C)CC[C@@H](C(=C)C)C[C@@H]12 34146245 CORHHSPHLRPKPM-LXTVHRRPSA-N 220.356 3.696 30 1 BHEF biogenic,in-vitro C=C(C(=O)OC)[C@@H]1CC[C@H](C)[C@H]2CCC(C)=C2C1 2356341499 QOMUQZTZDWFQPT-ZLKJLUDKSA-N 248.366 3.878 30 1 BHEF Cc1ccc(/N=C/c2cc(F)ccc2O)cc1 64474976 KIMMCGQHRVLIAC-CXUHLZMHSA-N 229.254 3.590 30 1 BHEF C=CCc1cc(-c2ccc(OC)cc2)ccc1O 72142279 JPBRTICFLQMGKN-UHFFFAOYSA-N 240.302 3.796 30 1 BHEF CC=CC#CC=CC=CCCCCCC(=O)O 2356666017 PWOKSACWZBRZCY-UHFFFAOYSA-N 232.323 3.713 30 1 BHEF CC(C)=C1C/C=C(/C)CC[C@H]2O[C@]2(C)CC1=O 15160631 BRHJBHVGLHMQCU-ILSYHXBVSA-N 234.339 3.570 30 1 BHEF endogenous,in-man C=C1CC[C@@H](C(C)C)[C@@H]2C[C@H](C)C(=O)C[C@@H]12 39169933 YXYPLDHJBJSHKO-XUXIUFHCSA-N 220.356 3.840 30 1 BHEF biogenic,in-vitro CO[C@H](c1ccccc1)[C@H]1O[C@H]1c1ccccc1 221252324 HHARSFWIGYFTTK-OWCLPIDISA-N 240.302 3.514 30 1 BHEF CC1=CCC[C@H](C=O)[C@H]2CC(C)(C)[C@@H]2CC1 2356388856 VLWNRFXSKLVVEB-MGPQQGTHSA-N 220.356 3.984 30 1 BHEF C=C[C@](C)(O)CCCC(C)=CC(=O)C=C(C)C 2356664280 OTRVEZNVCKAIQL-HNNXBMFYSA-N 236.355 3.575 30 1 BHEF C[C@H](C=O)[C@@H]1CC[C@]2(C)[C@H]3CC[C@@H](C3)[C@@]12C 2356784234 NTBLMLGSBLTBPJ-DBWOOVFOSA-N 220.356 3.674 30 1 BHEF C=C[C@]1(C)CC/C=C(\C)CC[C@H](C(C)(C)O)O1 195385581 LWYUSWLRBKNRLB-OSEPDQNXSA-N 238.371 3.608 30 1 BHEF CC(C)=C1C[C@@H]2[C@H](C1=O)[C@@]1(C)CCC[C@@]21C 238761816 DCYUAVNAQVATAZ-RJZRQDKASA-N 218.340 3.738 30 1 BHEF C=C1CCC[C@@]2(C)CC[C@@H](C(C)C)[C@H]2C1=O 34116977 XWNLLHLOYWVRDK-YDHLFZDLSA-N 220.356 3.984 30 1 BHEF C=C1CC[C@H](C(C)=O)[C@H]2C=C(C)CC[C@H]12 85989899 YXIJNEOZFSAIAQ-MCIONIFRSA-N 204.313 3.514 30 1 BHEF C=C1C(=O)C[C@@H](C(C)C)[C@]12CC=C(C)CC2 13307491 XDBOEVDBTVZZRP-ZFWWWQNUSA-N 218.340 3.904 30 1 BHEF biogenic C=C1CCCC(C)(C)[C@H]1/C=C/C(C)=C/C(=O)O 140173190 NPLQKYGNQZPTFE-KAAISAKQSA-N 234.339 3.956 30 1 BHEF C=CC(C)(C)c1nc2c(C)ccc(C)c2[nH]1 587954527 YVKGRKDEYFXNAZ-UHFFFAOYSA-N 214.312 3.643 30 1 BHEF CCCCCCCC/C=C\C=C\[C@@H](O)CCO 43352583 REXAWNWPQYJVEI-CWUOWYQYSA-N 240.387 3.593 30 1 BHEF CCCC/C=C/[C@@]1(C)SC(=O)C(C)=C1O 101446549 ZTFVKDBRMHIWTA-ABZNLYFFSA-N 226.341 3.597 30 1 BHEF COc1ccc(Cl)cc1C#Cc1cccs1 587920242 ASUFBHHOIYIWQF-UHFFFAOYSA-N 248.734 3.810 30 1 BHEF C=C(C)C[C@H]1c2[nH]c3ccccc3c2CCN1C 5158313 OYJOWYUOPVYDMC-HNNXBMFYSA-N 240.350 3.663 30 1 BHEF biogenic C=C(CO)[C@H]1CC[C@@]2(C)CCCC(C)=C2C1 15206946 ITRHZWKEZJYJQO-DZGCQCFKSA-N 220.356 3.842 30 1 BHEF biogenic Cc1cccc(C#CC[C@@H](C)c2ccccc2)n1 36373611 QVXDBDKPSMNGHQ-CQSZACIVSA-N 235.330 3.935 30 1 BHEF in-vivo C=CC[C@]12N[C@@H](Cc3ccccc31)c1ccccc12 100659915 ZEZKMPQSDDFEQR-ROUUACIJSA-N 247.341 3.707 30 1 BHEF C=C1CCC=C1[C@H]1[C@H]2CC[C@@]1(C)OC2(C)C 2356453087 NHPDMJIPAMOTCH-VNHYZAJKSA-N 218.340 3.857 30 1 BHEF C[C@@H]1CC[C@]2(C)[C@]3(C)O[C@@H]3[C@@]3(C)CCC[C@]132 2356493830 IDMHLGOISSURSV-OJVARPOJSA-N 220.356 3.770 30 1 BHEF C=C1[C@@H]2C[C@@H]2[C@]2(C)Cc3occ(C)c3C[C@]12C 2356565037 MVSRCZLPYQLXBW-YUDUHTQSSA-N 228.335 3.905 30 1 BHEF CC1(C)c2occc2C[C@H]2C=C(CS)CC[C@H]21 2356652134 PZPGYUDHVYOLGK-CHWSQXEVSA-N 248.391 3.996 30 1 BHEF C/C=C\C#CC#C[C@@H](O)/C=C/CCCCCCC 85831767 VYFQRHHQNNXVTJ-DRMIUQBLSA-N 244.378 3.847 30 1 BHEF Cc1ccc(/C(O)=C/C=N/c2ccccn2)cc1 101728999 RIMSZFLGKGNZGP-IVYHHUKSSA-N 238.290 3.691 30 1 BHEF C=CCCCC[C@H]1O[C@@H]1C=CC#CC#CC=CC 2356563962 GRIRFVRSWUHHTQ-IAGOWNOFSA-N 240.346 3.639 30 1 BHEF CC(=O)CCC(C)=CCC[C@@H]1[C@H](C=O)C1(C)C 2356685756 DFFNANWUVIXRPP-KGLIPLIRSA-N 236.355 3.553 30 1 BHEF C=C1CCC[C@]2(C)CC[C@H](C(NC=O)=C(C)C)[C@@H]12 13374983 VNVRTDPAIPTZEL-SQWLQELKSA-N 247.382 3.799 30 1 BHEF biogenic C=C[C@@H]1O[C@H](C)[C@@H]2C[C@H](C(C)C)CC2=C1C 14439931 BQYBPRDNNXMGLD-UXOAXIEHSA-N 220.356 3.958 30 1 BHEF biogenic C=C(C)C1=CC[C@H](C)[C@H]2CC(=O)C(C)=C[C@@H]12 2356550640 QVTBIFDNDSHCEB-GDLCADMTSA-N 216.324 3.680 30 1 BHEF C=C[C@@H](O)CCCCCCCCCCC(=O)O 33822263 WFGNXJKDTYRJEV-CYBMUJFWSA-N 242.359 3.519 30 1 BHEF CC1=CC(=O)[C@H]2C(C)=CO[C@H]2CC(C)=CCC1 2356582328 FIRLDHBYAZBYTC-LSDHHAIUSA-N 232.323 3.551 30 1 BHEF C[C@@H]1CC[C@@H]2C[C@@]3(C)O[C@H]3CC(C)(C)C=C12 2356847949 PAZDNVMMYDTDQZ-UQFNBPPOSA-N 220.356 3.936 30 1 BHEF CC1=C2C(=O)c3c(C)coc3C[C@]2(C)C=CC1 15221502 ZAUXXSQCVPKKPE-HNNXBMFYSA-N 228.291 3.610 30 1 BHEF biogenic CC1=C[C@@H]2[C@H](CC=O)[C@@]1(C)CCCC2(C)C 14764657 NLXJLOFFEIORRD-GUTXKFCHSA-N 220.356 3.984 30 1 BHEF C/C=C/C=C\C(=O)c1coc2cc(C#N)ccc12 587278435 GVRPCACOAODQIU-IAROGAJJSA-N 237.258 3.619 30 1 BHEF C=C1[C@@H]2CC[C@@H](C(=O)OC)[C@@]23CC[C@H](C3)C1(C)C 238742276 DZVKVIGAEDEAIN-LMOYCYGVSA-N 248.366 3.568 30 1 BHEF C=C1CC=CC(C)(C)[C@H]1CCC(C)=CCO 2356792095 JIELODJRDBKUMP-AWEZNQCLSA-N 220.356 3.864 30 1 BHEF C=C(C)[C@@H]1[C@H](O)C=C(C)[C@@H]2CC[C@@H](C)C[C@H]21 13381296 VSKFQHOVPUQNSE-RCSLCFTFSA-N 220.356 3.552 30 1 BHEF biogenic CO[C@@H](c1ccccc1)[C@@H]1O[C@@H]1c1ccccc1 169705215 HHARSFWIGYFTTK-XHSDSOJGSA-N 240.302 3.514 30 1 BHEF CC(C)[C@@H]1CC[C@](C)(C#N)[C@H]2CC[C@@](C)(O)C=C12 2356387711 DZOJEAIEMYKNFO-ARLBYUKCSA-N 247.382 3.670 30 1 BHEF C=C(C)[C@@H]1CC=C2[C@H](O)CC[C@H](C)[C@@]2(C)C1 2356725890 NJWPLFBOSCSZFA-CTHBEMJXSA-N 220.356 3.696 30 1 BHEF C#Cc1ccc2ccc3ccccc3c2c1 73224463 LOGSUFFLSMEOEC-UHFFFAOYSA-N 202.256 3.974 30 1 BHEF C=C(C)[C@H]1CC[C@]2(C)CCC[C@@H](C)[C@H]2[C@H]1O 95912052 QZOCRPIQQKLQHN-MRLBHPIUSA-N 222.372 3.776 30 1 BHEF biogenic,in-vitro C/C=C/C#CC#C/C=C/C=C/CCC(=O)CCC 238769632 JRTSGUNUURZHCS-LEKYDIDXSA-N 240.346 3.831 30 1 BHEF C/C=C/C=C/C#C/C=C\C=C/CCCOC(C)=O 238780240 UWBOXJNXDPRYIO-LWRCOMHGSA-N 244.334 3.578 30 1 BHEF C=C1CCC[C@]2(C)[C@@H](O)C[C@@H](C(C)C)C[C@@H]12 238780711 WOKMOHTUPBAZGC-AJNGGQMLSA-N 222.372 3.776 30 1 BHEF C=CCOc1ccccc1OCCCCC 103211783 DPINFFUWEMYMJT-UHFFFAOYSA-N 220.312 3.820 30 1 BHEF CC1(C)C[C@@H]2CCC[C@@H]3O[C@@]3(C)CC[C@H]21 238778680 JTKVDLDJQJDKEB-OPDFLTKYSA-N 208.345 3.770 30 1 BHEF C=C1CCCC(C)(C)[C@@H]2C=C(CO)CC[C@H]12 14439361 MEEBLBVTPMZTSU-ZIAGYGMSSA-N 220.356 3.698 30 1 BHEF biogenic C=C(C)[C@@H]1CCC(C(=O)O)=C2CC[C@H](C)[C@@H]2C1 15264328 JNYAUBXATZXFIU-WDMOLILDSA-N 234.339 3.790 30 1 BHEF biogenic Cc1ccc(O)c(/N=C\c2cccs2)c1 100132157 NLJMPZLJRDIZQW-JYRVWZFOSA-N 217.293 3.513 30 1 BHEF C=C(C)[C@H]1CCC(C)=C(CCC(C)=O)C(=O)C1 199987546 KRTNPPCFSXXCMJ-ZDUSSCGKSA-N 234.339 3.617 30 1 BHEF C=C1[C@@H]2C[C@@H]2[C@@]2(C)Cc3occ(C)c3C[C@@]12C 2356565035 MVSRCZLPYQLXBW-DLKVLKDVSA-N 228.335 3.905 30 1 BHEF C=C(C)[C@@H]1CC[C@@]2(C)C=C[C@](C)(O)C=C2C1 103290337 DUBVYZUXIZEVGS-SNPRPXQTSA-N 218.340 3.616 30 1 BHEF C=C(C)[C@@H]1C[C@@]2(C)[C@@H](CCC[C@H]2C)CC1=O 2356421740 SBYYGPVDZLNUAX-UKTARXLSSA-N 220.356 3.984 30 1 BHEF C[C@@H]1CCC2=C1C(=O)C(C)(C)C[C@@H]1C[C@@]21C 2356521303 RGESNQJVOSGLKA-IQMDTDKHSA-N 218.340 3.738 30 1 BHEF Cc1coc2c1C[C@]1(C)C(=C2)C(=O)CC[C@H]1C 15220983 VSDUSOQWCZPNDE-BMIGLBTASA-N 230.307 3.533 30 1 BHEF biogenic C=C(C)[C@@H]1CC2=C(C)CCC[C@@]2(C)C[C@@H]1O 231222566 DEJQXLRIIOLSAB-QEJZJMRPSA-N 220.356 3.840 30 1 BHEF CC1=CC(=O)[C@@H]2C(C)=CO[C@@H]2CC(C)=CCC1 2356582325 FIRLDHBYAZBYTC-CABCVRRESA-N 232.323 3.551 30 1 BHEF N#CCc1ccc(-c2ccccc2Cl)o1 28564272 JONVMIWKIWKSNS-UHFFFAOYSA-N 217.655 3.666 30 1 BHEF CC1(C)C[C@H]2[C@@H](CC[C@@]23CO3)[C@]2(C)C[C@@H]2C1 34431729 LQMPUPCHDJFJQF-SZWZKDINSA-N 220.356 3.628 30 1 BHEF CCCCCC[C@@]1(C)SC(O)=C(C)C1=O 101026901 LTLIOCSGRMCPCA-GFCCVEGCSA-N 228.357 3.821 30 1 BHEF C=C(C)[C@@H]1CC[C@](C)(CCCC(C)=O)C(=O)C1 14694140 FCPUGTGXHMJFQH-HIFRSBDPSA-N 236.355 3.697 30 1 BHEF endogenous,in-man C=C1CC/C=C(\C)CC[C@@H]2[C@@H]([C@H]1O)C2(C)C 34329236 HDPSCJCUYZMNFI-HYAKIPKFSA-N 220.356 3.696 30 1 BHEF CCCCCCCCCc1cc(O)cc(=O)o1 42764357 WOLKINVJRRXENQ-UHFFFAOYSA-N 238.327 3.639 30 1 BHEF CC1(C)CCC[C@]2(C)/C(=C/O)C(=O)CC[C@@H]12 102164022 SYMFXYDWORSDKZ-JMRXXTBOSA-N 222.328 3.624 30 1 BHEF CO/N=C(C)/C=C/[C@@H]1C(C)=CCCC1(C)C 103202185 AELHASQYTOGISV-JPYIZOGNSA-N 221.344 3.947 30 1 BHEF C=C(C)[C@@H]1CCC(CO)=C2CC[C@H](C)[C@@H]2C1 15264320 XDJJQGUABGVLLV-ZOWXZIJZSA-N 220.356 3.698 30 1 BHEF biogenic,in-vitro C=C1CC[C@H](C(C)C)[C@@H]2C=C(C)C[C@@H](O)[C@@H]12 13381233 WFHKESPONQXPGD-BARDWOONSA-N 220.356 3.552 30 1 BHEF biogenic C=CCN[C@@H]1C(c2ccccc2)=C[C@H]2CC[C@H]1C2 100949584 NCYMZGFOAAWUDD-QRTARXTBSA-N 239.362 3.644 30 1 BHEF CCCCCCCC(=O)[C@@H](C=O)CCCC 103276043 XLHIMKXMZZMWJU-CYBMUJFWSA-N 226.360 3.921 30 1 BHEF CC(=O)CCC=C(C)CC1=CC(C)(C)CC1=O 2356406445 WSAXCZSLPACXPU-UHFFFAOYSA-N 234.339 3.617 30 1 BHEF C=C1[C@@H]2CC[C@@H](C2)[C@@]1(C)CC/C=C(\C)C(=O)O 38218935 PMCPDNGTLRPFQQ-MEPYFGFUSA-N 234.339 3.790 30 1 BHEF biogenic,in-vitro CC(C)[C@H]1CC[C@@H]2C=CC(=O)CC[C@@]21C 84725715 VRUKHLDBKYKEEU-YUTCNCBUSA-N 206.329 3.594 30 1 BHEF CCCCCCCC1=C[C@@H](O)C=C(OC)C1 1857541597 QLFVXFRIBYLSOM-CYBMUJFWSA-N 224.344 3.568 30 1 BHEF CCCCCCC[C@@H](O)CC=CCCC(=O)O 2356447302 ZOHRMFGRPIENQB-CYBMUJFWSA-N 242.359 3.519 30 1 BHEF C=C(C)C=C[C@H]1C(C)(C)CCC[C@@]12CO2 2356461472 HQWBEAAZOBOEBO-GXTWGEPZSA-N 206.329 3.714 30 1 BHEF C/C=C/C1=CC(=O)C[C@H](c2ccc(F)cc2)C1 36389305 PMPMYXFRBPWDPS-YWVDXFKGSA-N 230.282 3.775 30 3 BHEF C=C(C)[C@@H]1CC(=O)C2=CCC[C@H](C)[C@]2(C)C1 15200604 BSUGIIZTULADOL-ZOWXZIJZSA-N 218.340 3.904 30 1 BHEF biogenic CC1=CCCC(=O)C=C[C@H]2[C@H](CC1)C2(C)C 2356735092 WCZCSOXIWRFHNZ-KBPBESRZSA-N 218.340 3.904 30 1 BHEF C=C1C=C[C@H]([C@]2(C)CCCC2(C)C)C[C@@H]1O 13412278 SDHORTCDXPFLAK-YDHLFZDLSA-N 220.356 3.696 30 1 BHEF biogenic CC1=CC[C@H](C2=CCC[C@H](C=O)C2)C1(C)C 64624716 UHFUWRDULSRXQB-GXTWGEPZSA-N 218.340 3.904 30 1 BHEF in-vitro CC1=C2C(=O)[C@H]3CC[C@H](C)[C@@]2(CC1)C3(C)C 100779125 JAWSHISYWRRQQQ-FIXISWKDSA-N 218.340 3.738 30 1 BHEF endogenous,in-man C#Cc1cccc(-c2nc3cc(C)c(C)cc3[nH]2)c1 586880593 OPIWWYXANFBJOY-UHFFFAOYSA-N 246.313 3.828 30 1 BHEF C=C1CC[C@H](C(C)(C)O)[C@H]2C=C(C)CC[C@@H]12 2356737989 QHNDBEIHGDNMQH-IHRRRGAJSA-N 220.356 3.696 30 1 BHEF Cc1coc2c1C[C@]1(C)C(=CCC[C@@H]1C)C2=O 15221455 FAPYHJULXRNNQD-BONVTDFDSA-N 230.307 3.689 30 1 BHEF biogenic C1=CC(=Nn2cccc2)C=CC1=Nc1ccccc1 28759017 NGDBCQQOHCRUDS-UHFFFAOYSA-N 247.301 3.591 30 1 BHEF CC1=CC(=O)[C@H]2[C@@H]3[C@@H]1[C@@]2(C)CCCC3(C)C 32175909 KTPOZFYJWLGJGH-UKTARXLSSA-N 218.340 3.594 30 1 BHEF endogenous,in-man CO/N=C(C)\C=C\[C@H]1C(C)=CCCC1(C)C 103215411 AELHASQYTOGISV-KHKHFCMLSA-N 221.344 3.947 30 1 BHEF CC1(C)CCC[C@@]2(C)C(=CO)C(=O)CC[C@H]12 2356423268 SYMFXYDWORSDKZ-OCCSQVGLSA-N 222.328 3.624 30 1 BHEF C=C1/C=C\C[C@@H](C)CC(=O)c2c(C)coc2C1 53621558 KIOIOKFCSBQUGC-AYYIZTPMSA-N 230.307 3.856 30 1 BHEF C=C(C)[C@@H]1CC[C@H](C)[C@@]12CC(=C(C)C)C(=O)O2 230075409 KHOTZHZBHNDKOB-WHOFXGATSA-N 234.339 3.631 30 1 BHEF endogenous,in-man CCC(=O)C=CC[C@@H]1CC=C(C)C1(C)C 2356322628 TWUIRVFTSHQTGA-GFCCVEGCSA-N 206.329 3.904 30 1 BHEF C/C(=N\c1cccc(Cl)c1)c1ccncc1 17256191 PESFEQXARPIBQP-MHWRWJLKSA-N 230.698 3.876 30 1 BHEF C=CCc1cccc(OCCC)c1OCCC 103284800 PKRZRTDSRXCNSG-UHFFFAOYSA-N 234.339 3.993 30 1 BHEF C=C(C)[C@@H]1CC[C@]1(C)CCOC(=O)[C@@H](C)CC 2356553105 NRIGIDJZDUBPCH-KCQAQPDRSA-N 238.371 3.958 30 1 BHEF C=C(C)[C@@H]1CC[C@]23O[C@@H]2CC[C@@H](C)[C@]3(C)C1 2356652944 VNQMXFKWIVIYCC-ZSAUSMIDSA-N 220.356 3.936 30 1 BHEF CC1=C[C@@]2(C)CCC[C@]23[C@@H](C)CC[C@]13C=O 85944235 PRHPVXRYTAFWOZ-ATGSNQNLSA-N 218.340 3.738 30 1 BHEF C=CCc1cc(OC)c(O)c(C(C)(C)C=C)c1 198699720 YPMHUDLGMDEZHO-UHFFFAOYSA-N 232.323 3.593 30 1 BHEF C=C(C)[C@@H]1CC[C@](C)(O)[C@@H]2CC[C@H](C)[C@H]2C1 238756407 VYOZKWKETGHHDW-JARUQAPTSA-N 222.372 3.776 30 1 BHEF endogenous,in-man CC1=CC[C@@]23C[C@H]1[C@](C)(C=O)[C@@H]2CC[C@@H]3C 2356472011 IIRSXUDXJJMDJP-AICCOOGYSA-N 218.340 3.594 30 1 BHEF C=C1CCC[C@]2(C)CC[C@@H](C(NC=O)=C(C)C)[C@H]12 14858429 VNVRTDPAIPTZEL-IJEWVQPXSA-N 247.382 3.799 30 1 BHEF biogenic C=C(C)[C@@H]1CC[C@]2(O)CCC[C@@H](C)[C@]2(C)C1 15201096 YFAPBKDZQLGGMM-APIJFGDWSA-N 222.372 3.920 30 1 BHEF biogenic C=C(C)[C@@H]1CC[C@@]2(C)CCC[C@H](C)[C@]2(O)C1 15209659 LLTYVNOOGNNNPY-GBJTYRQASA-N 222.372 3.920 30 1 BHEF Cc1coc2c1C[C@@]1(C)C(=CCC[C@H]1C)C2=O 15221458 FAPYHJULXRNNQD-MEBBXXQBSA-N 230.307 3.689 30 1 BHEF biogenic COc1ccc(Cl)cc1C#Cc1ccsc1 587921159 VWACWBCDSXSAIZ-UHFFFAOYSA-N 248.734 3.810 30 1 BHEF C=CCCCCCCC=CC=C[C@@H](C)N 2356441874 HHJQIQYLOSKHKZ-CQSZACIVSA-N 207.361 3.973 30 1 BHEF CC1(C)c2occc2C[C@@H]2C=C(CS)CC[C@H]21 2356652136 PZPGYUDHVYOLGK-QWHCGFSZSA-N 248.391 3.996 30 1 BHEF CC1=CC[C@@]2(CC1=O)[C@H](C)CC[C@@H]2C(C)C 13307534 HBTHUBMUAHAWBC-UMVBOHGHSA-N 220.356 3.984 30 1 BHEF in-man C=C1CCC(=O)[C@@]2(C)CC[C@H](C(C)C)[C@H]2C1 14559440 JBOONPKUPONSIB-NFAWXSAZSA-N 220.356 3.984 30 1 BHEF endogenous,in-man C=C(C)[C@@H]1CC[C@]2(C)CCC[C@@]3(CO3)[C@@H]2C1 15206263 XHVUUSMDESYGHE-APIJFGDWSA-N 220.356 3.938 30 1 BHEF biogenic CCCCCCCC(=O)OC[C@H](C)CC 96015155 XZLBJDGPIWDVIJ-GFCCVEGCSA-N 214.349 3.936 30 1 BHEF in-vitro,metabolite CCCCCCCCc1c(O)cc(C)oc1=O 1857629487 DBIAEXNBCPEAAA-UHFFFAOYSA-N 238.327 3.557 30 1 BHEF CCCCC=CC=CC=CC#CC#CCCCO 2356605014 OGSBOMXZSBQDPF-UHFFFAOYSA-N 242.362 3.625 30 1 BHEF C=C[C@](C)(CC[C@H](O)C(=C)C)c1ccc(O)cc1 14714503 JIROVCDWAHREJH-JKSUJKDBSA-N 246.350 3.553 30 1 BHEF biogenic C=C1CCC[C@@]2(C)CC[C@@H](C(=C)CO)C[C@H]12 33830342 FKWGZOFNSIESOX-KFWWJZLASA-N 220.356 3.698 30 1 BHEF endogenous,in-man CCCCCCC[C@]1(C)SC(=O)[C@@H](C)C1=O 53262290 JESYAZYDCUETJK-GWCFXTLKSA-N 242.384 3.584 30 1 BHEF C=Cc1ccc(-c2nc3c(C#N)cccc3[nH]2)cc1 586882218 WIHLXFJPPLVWFX-UHFFFAOYSA-N 245.285 3.745 30 1 BHEF COc1ccc(Cl)cc1C#CC=C(C)C 587899317 AZBZBYSIXLAYLO-UHFFFAOYSA-N 220.699 3.666 30 1 BHEF C=C1CC[C@H]2C[C@H]1C(C)(C)C[C@H](O)C=C2C 13375744 CXCWPODYESQSPM-BFHYXJOUSA-N 220.356 3.696 30 1 BHEF biogenic C=C1/C=C/[C@H](C(C)C)C/C=C(/C)[C@@H](O)CC1 238753568 KMNKEJZZENNJLR-MWDPOQOSSA-N 220.356 3.862 30 1 BHEF C#Cc1ccc(OC(=O)OCCC(C)(C)C)cc1 473172535 XHMKXUNPRAKYAO-UHFFFAOYSA-N 246.306 3.620 30 1 BHEF CCCCN(CC)CC#CCc1ccc(C)cc1 103242444 XEXUCDXRKXCIPA-UHFFFAOYSA-N 243.394 3.663 30 1 BHEF C=CCc1cccc(OC)c1OCCC(C)C 103284726 IIBBYDVQCADTBK-UHFFFAOYSA-N 234.339 3.849 30 1 BHEF CC1(C)C[C@@H]2CCC[C@@H]3O[C@]3(C)CC[C@@H]21 2356504277 JTKVDLDJQJDKEB-ZJQBRPOHSA-N 208.345 3.770 30 1 BHEF C=C1CC[C@H](C(C)C)[C@@H]2C(=CC)C(=O)C[C@H]12 2356517648 PXEXQPYJEJLXLA-NFAWXSAZSA-N 218.340 3.760 30 1 BHEF C=C1CC[C@H](C(C)C)[C@@H]2C(=CC)[C@H](O)C[C@@H]12 2356607191 CYRJURSLHWHHQL-BARDWOONSA-N 220.356 3.552 30 1 BHEF C=C(CO)[C@@H]1CCCC2=CCC[C@H](C)[C@@]21C 14612483 FVZFWAFWOHDVHQ-QEJZJMRPSA-N 220.356 3.698 30 1 BHEF biogenic CC1=CC(=O)c2c(C)coc2[C@@]2(C)CCC[C@@H]12 15194617 QEGALMXERDDKFF-NHYWBVRUSA-N 230.307 3.788 30 1 BHEF biogenic CC#CC#CC#Cc1ccc(-c2ccccc2)s1 207297247 UGOYLCMSCJDWIO-UHFFFAOYSA-N 246.334 3.793 30 1 BHEF C=C1c2ccoc2[C@H]2O[C@H]3C[C@@H](C)[C@@]2(C)[C@@]13C 2356584351 BZLUBAWCHRXHLR-KNZKUKMOSA-N 230.307 3.799 30 1 BHEF CC1=CC(=O)[C@@H]2[C@@H]3[C@@H]1[C@]2(C)CCCC3(C)C 103186101 KTPOZFYJWLGJGH-CXTNEJHOSA-N 218.340 3.594 30 1 BHEF in-man C=C1C[C@@H](O)C[C@@]2(C)CC=C(C(C)C)C[C@H]12 238781055 VOQCANHVRSWHJK-RBSFLKMASA-N 220.356 3.696 30 1 BHEF CC(C)=C1C[C@@H]2O[C@@]2(C)CCC[C@H](C)CC1=O 2356529448 HNWLYWCHTWWEOA-CQDKDKBSSA-N 236.355 3.650 30 1 BHEF CCCC(=N\O)/C(C)=C/c1ccc(F)cc1 116360532 SSRZLDGEGHSZEF-PANOFWHVSA-N 221.275 3.859 30 1 BHEF C=CCCCC[C@@H]1O[C@H]1C=CC#CC#CC=CC 2356563963 GRIRFVRSWUHHTQ-IRXDYDNUSA-N 240.346 3.639 30 1 BHEF C=C(C(=O)O)[C@H]1CC=C(C)[C@@H]2CCC(C)=C[C@H]12 13381538 UYNFQZUTVPJKJW-MJBXVCDLSA-N 232.323 3.566 30 1 BHEF O=C1C(/C=N/c2ccccc2)=C(O)c2ccccc21 13468688 YCFPANWURAKUJX-LICLKQGHSA-N 249.269 3.555 30 1 BHEF CC(C)=C1C[C@H]2[C@@H](C1=O)[C@@]1(C)CCC[C@@]21C 238742464 DCYUAVNAQVATAZ-NZBPQXDJSA-N 218.340 3.738 30 1 BHEF CCCc1[nH]c2cc(Cl)c(F)cc2c1C#N 587630854 RISUOMNYTYHOAE-UHFFFAOYSA-N 236.677 3.785 30 1 BHEF C=C(C)[C@@H]1CC[C@]2(C)CCCC(C(=O)O)=C2C1 15206250 UPRJMZGSOCQFML-ABAIWWIYSA-N 234.339 3.934 30 1 BHEF biogenic CC(C)[C@@H]1CC[C@](C)(C#N)[C@H]2CC[C@](C)(O)C=C12 2356387712 DZOJEAIEMYKNFO-HNKHHVNMSA-N 247.382 3.670 30 1 BHEF C=C(C(=O)O)[C@H]1C=C2C(C)=CCC[C@]2(C)CC1 15207991 PPPHDQNXPNUKNK-IUODEOHRSA-N 232.323 3.710 30 1 BHEF biogenic,in-vitro CC[C@@H](C)C=CC=CC=CC(O)=CC(C)=O 2356593515 MREIRTWZXYCJLD-GFCCVEGCSA-N 220.312 3.732 30 1 BHEF CCCCCCCCCCC(=O)CCC(=O)O 59545353 OUVOKRXNCJSVKU-UHFFFAOYSA-N 242.359 3.951 30 1 BHEF C=C[C@]1(C)CC[C@@](O)(C(=C)C)C[C@H]1C(=C)C 218012590 ZJNWXIAIUXEPPK-ZNMIVQPWSA-N 220.356 3.862 30 1 BHEF C=C1CC[C@](O)(C(C)C)[C@@H]2C[C@@H](C)CC[C@@H]12 2356463667 IJLDWTQSNMIJKQ-MHEUCROKSA-N 222.372 3.776 30 1 BHEF CC(C)=C1CC(=O)[C@H](C)CC/C=C(/C)CC1=O 15255944 ZYPUZCWWTYIGFV-HUMZTAOYSA-N 234.339 3.617 30 1 BHEF endogenous,in-man CO[C@@H](c1ccccc1)[C@H]1O[C@@H]1c1ccccc1 169705217 HHARSFWIGYFTTK-ARFHVFGLSA-N 240.302 3.514 30 1 BHEF C=C1CC(=O)C[C@H](C)CC[C@@H]2[C@@H]1CC2(C)C 238766550 XIFNHTVOUZHUCY-LERXQTSPSA-N 220.356 3.984 30 1 BHEF C=C1C=CC[C@]2(C)CC[C@H](C(C)(C)O)C[C@H]12 2356634665 LCAVWJONSITSBE-GZBFAFLISA-N 220.356 3.696 30 1 BHEF C=C1CC[C@H]2C[C@H]1C(C)(C)C[C@@H](O)C=C2C 13375743 CXCWPODYESQSPM-MELADBBJSA-N 220.356 3.696 30 1 BHEF biogenic C=C1CCC[C@]2(C)CC[C@@H](C(=C)CO)C[C@H]12 33830343 FKWGZOFNSIESOX-RBSFLKMASA-N 220.356 3.698 30 1 BHEF endogenous,in-man C=C(C(=O)O)[C@H]1CC=C2CCC[C@H](C)[C@@]2(C)C1 238737934 FMWJHXDPCQWVEJ-ITDIGPHOSA-N 234.339 3.790 30 1 BHEF C=C(C)[C@H](O)CC[C@H](C)c1ccc(C)c(O)c1 13377467 CDFYSXHPCPFPAR-SMDDNHRTSA-N 234.339 3.521 30 1 BHEF biogenic C=C(C)[C@@H]1CC[C@@]1(C)CCOC(=O)[C@H](C)CC 238736093 NRIGIDJZDUBPCH-IPYPFGDCSA-N 238.371 3.958 30 1 BHEF C=CCc1cccc2nc(C3=CCCC3)[nH]c12 586882935 DBKZKIQGRSOFAV-UHFFFAOYSA-N 224.307 3.859 30 1 BHEF C=C1C=CC[C@]2(C)CC[C@@H](C(C)(C)O)C[C@@H]12 2356634671 LCAVWJONSITSBE-VNHYZAJKSA-N 220.356 3.696 30 1 BHEF CCCC/C=C\C#CC#CCCCCCC(=O)O 38813933 ZYKRBUYXWXJLBD-WAYWQWQTSA-N 246.350 3.775 30 1 BHEF C=C(C)[C@@H]1CC[C@]2(C=CC(=O)C[C@H]2C)C1 59587841 HPMLWJWXLHFPSW-BZPMIXESSA-N 204.313 3.514 30 1 BHEF biogenic,in-vitro C/C=C/C=C/C#C/C=C\C=C/CCCCC=O 221227837 JSONUWKRCNXRBR-JQURPYADSA-N 228.335 3.994 30 1 BHEF C=C1C[C@@H]2Cc3c(C)coc3CC(=C)[C@@H]2C1 2356307239 PXXJFFAUJYCTFW-OLZOCXBDSA-N 214.308 3.825 30 1 BHEF C=C1CC[C@@H]2[C@H]([C@@H]3C[C@H](C)C[C@@H]13)[C@@]2(CN)CCC 2356638277 XWAUJEHNVCPJSC-JRIGQVHBSA-N 247.426 3.990 30 1 BHEF C=C(C)[C@H]1CC[C@]2(C)CCC[C@@](C)(O)[C@@H]2C1 12153417 DPQYOKVMVCQHMY-LJISPDSOSA-N 222.372 3.920 30 1 BHEF endogenous,in-man C=C[C@]1(C)CC[C@H]([C@H](C)c2ccc(C)o2)O1 13432718 RZQBBGYIEUNQIV-MRVWCRGKSA-N 220.312 3.815 30 1 BHEF biogenic C=C1CC[C@@H](C(C)C)[C@@H]2/C(=C/C)[C@@H](O)C[C@@H]12 86032028 CYRJURSLHWHHQL-UYSIWGORSA-N 220.356 3.552 30 1 BHEF CC(=O)CCC=C(C)CC[C@H]1[C@@H](C=O)C1(C)C 2356581883 OWXSNWCHPCHSFO-UONOGXRCSA-N 236.355 3.553 30 1 BHEF C=C1C(=O)C[C@@]2(C)C[C@H]1[C@]1(C)CCC[C@@]12C 2356646403 AQEVLQOUEXYZOS-REBRKWNGSA-N 218.340 3.738 30 1 BHEF C=C(C)[C@@H](O)CC[C@H](C)c1ccc(C)cc1 2356790986 GGJSLMNHHMITIH-ZFWWWQNUSA-N 218.340 3.816 30 1 BHEF CCCCCCCN/C(C)=C1\C=CC=CC1=O 103980885 APRMAFJWSMTTNF-BUHFOSPRSA-N 233.355 3.516 30 3 BHEF C=C1CCC(=O)CCC[C@@H]2[C@@H]1CC2(C)C 14614571 SVROROODYLVLSH-CHWSQXEVSA-N 206.329 3.738 30 1 BHEF biogenic C=C(C)[C@@H]1CC(=O)C(C)=C2CC[C@H](C)[C@@H]2C1 15264564 YMXAKLYWISOQCM-JKOKRWQUSA-N 218.340 3.904 30 1 BHEF biogenic C=C1CCC[C@@]2(C)[C@H]1C[C@H](C(C)C)C[C@H]2O 2356447156 WOKMOHTUPBAZGC-XQLPTFJDSA-N 222.372 3.776 30 1 BHEF C=CCC#CC#C[C@@H](O)C=CCCCCCC=C 2356568404 AOVBGZVPTYLNNI-QGZVFWFLSA-N 242.362 3.623 30 1 BHEF C=C1C[C@@H]2O[C@]2(C)CC[C@@H]2[C@@H]1CC2(C)C 3978659 AMTSLHRSERHBCF-NRWUCQMLSA-N 206.329 3.546 30 3 BHEF biogenic,in-vitro C=C1CC[C@H](O)[C@@]2(C)CC[C@@H](C(=C)C)C[C@@H]12 15207046 CORHHSPHLRPKPM-QPSCCSFWSA-N 220.356 3.696 30 1 BHEF biogenic CC1(C)[C@@H]2C[C@H]1C(/C=C/c1ccccc1)=CC2=O 38237324 IQXHMIKOFMTJCX-MATWNZDUSA-N 238.330 3.871 30 1 BHEF C=C/C(C)=C/[C@@]1(CC)SC(O)=C(CC)C1=O 60184983 KDRQPAVHKKVXSL-MMQHEFTJSA-N 238.352 3.763 30 1 BHEF in-vitro C=C(C(=O)O)[C@@H]1CC[C@]2(C)C=CC=C(C)[C@H]2C1 85757681 WUAXEEZNSBQKSA-NFAWXSAZSA-N 232.323 3.566 30 1 BHEF endogenous,in-man C[C@@H]1C[C@@H]1c1[nH]c2ccc(F)c(Cl)c2c1C#N 587629952 AOPZZYQRMHNJIO-RQJHMYQMSA-N 248.688 3.955 30 1 BHEF CC(C)C1=CC[C@]2(C)CCC[C@H](C)[C@]23O[C@H]13 2356608151 GPSWCNUIGKDSHT-PMOUVXMZSA-N 220.356 3.936 30 1 BHEF C=C1CCC[C@@]1(C)[C@]1(C)CC=C(CO)CC1 15120125 SGASIZRGMDDXOM-HUUCEWRRSA-N 220.356 3.842 30 1 BHEF biogenic C=C1CCC[C@]2(C)CC[C@@H](C(C)C)C[C@]12O 15209475 DIFRMHMHLVIDPB-KFWWJZLASA-N 222.372 3.920 30 1 BHEF biogenic CCCS/C(=N/c1cccc(Cl)c1)NC 28133874 VPIZKCQBHBJVDJ-UHFFFAOYSA-N 242.775 3.690 30 1 BHEF C=C(C)[C@H]1CC(=O)c2cc(Cl)ccc2S1 40835119 YRYAOZIIMQAREJ-GFCCVEGCSA-N 238.739 3.963 30 1 BHEF CO/N=C/c1ccc(-c2cccc(Cl)c2)o1 26982714 ZQSOZJAWEZIODC-RIYZIHGNSA-N 235.670 3.580 30 1 BHEF C=C(C)[C@@H]1C=C[C@](C)(O)[C@@H]2CC[C@H](C)C[C@@H]12 34947181 NQKWUNQUPNPCCJ-LXFSFDBISA-N 220.356 3.552 30 1 BHEF C[C@@H]1C=CC2=CC(=O)C[C@]2(C)[C@@H]2CCCC[C@H]12 2356581306 REPSZHDKTARSEN-MPESAESLSA-N 230.351 3.904 30 1 BHEF CC1(C)CCC[C@]2(C)OC[C@@H]3O[C@]3(C)CC[C@@H]12 13372460 KDMDYZZDZDVDQD-NZBPQXDJSA-N 238.371 3.539 30 1 BHEF biogenic C/C1=C/C(=O)c2c(C)coc2C/C(C)=C/CC1 15160657 XVOHELPNOXGRBQ-IKVLVDHLSA-N 230.307 4.000 30 1 BHEF endogenous,in-man C=C1CC[C@H]2C[C@H]3[C@H](C)CC[C@@]13OC2(C)C 15160993 YZUVVKAQOQBOJE-GVUJHPQVSA-N 220.356 3.936 30 1 BHEF biogenic C=C1CC/C=C(\C)C(=O)C[C@@H]2[C@@H]1CC2(C)C 31768642 KXSUIPOSVGSLQP-PGJRDNSLSA-N 218.340 3.904 30 1 BHEF biogenic,in-vitro CCCCCCCSCC(=O)C(F)(F)F 103187115 ZDZYMAJGQCKTDM-UHFFFAOYSA-N 242.306 3.821 30 1 BHEF CCCCC(/C=C/c1ccc(F)cc1)=N\O 168901381 AOMKWGBGGCJRQG-GRVINKSSSA-N 221.275 3.859 30 1 BHEF CC1(C)[C@H]2/C=C\CC[C@H]3O[C@]3(C)CC[C@H]21 138559284 SGNHFLIRMDBALK-IVUXSWSDSA-N 206.329 3.546 30 1 BHEF C=C1CC/C=C(/C)[C@H](O)C[C@H]2[C@H]1CC2(C)C 238759516 OIEGRICJBAVBOD-JOBVVKOWSA-N 220.356 3.696 30 1 BHEF C(=N/c1nc2ccccc2s1)\c1ccco1 1772648638 INSPSGOFMKGKQX-MDWZMJQESA-N 228.276 3.640 30 1 BHEF C[C@@H]1CC[C@]23O[C@]2(C)CC[C@@H]2[C@H]([C@H]13)C2(C)C 2356444232 OZNHATCGPKOFBH-QSYFAPPXSA-N 220.356 3.626 30 1 BHEF CC1=CC[C@@]23C[C@H]1[C@](C)(C=O)[C@H]2CC[C@H]3C 2356472014 IIRSXUDXJJMDJP-ZSAUSMIDSA-N 218.340 3.594 30 1 BHEF C=CCCCCCC=CCC#CC#C[C@H](O)CC 2356634624 JAMBSETYMWNZBT-QGZVFWFLSA-N 244.378 3.847 30 1 BHEF C=C(C)[C@H]1CC[C@]2(C1)C(C)=CC(=O)C[C@H]2C 34217434 FGCUSSRGQNHZRW-IPYPFGDCSA-N 218.340 3.904 30 1 BHEF endogenous,in-man C=C(C)[C@H]1CC/C(C)=C/CCC2=C[C@H]1OC2=O 85799833 FGWWKPRDQNGBKN-NCWPGJITSA-N 232.323 3.551 30 1 BHEF CC[C@@H](C)/C=C\C=C/C=C\C(O)=C/C(C)=O 100308082 MREIRTWZXYCJLD-BKSFRLROSA-N 220.312 3.732 30 1 BHEF in-vitro C=C1CC[C@@H]2O[C@@H]1[C@@H]1[C@H](C(C)C)CC[C@@]21C 104374429 BITBXAWCPCNKKN-YTFOTSKYSA-N 220.356 3.792 30 1 BHEF in-man C=C1CCC=C(C)CC[C@@H]2[C@H]([C@H]1O)C2(C)C 2356580998 HDPSCJCUYZMNFI-MCIONIFRSA-N 220.356 3.696 30 1 BHEF C=C[C@H](O)C#CC#CCC=CC=CCCCCC 2356586360 WJFSPRQRDLHNOE-KRWDZBQOSA-N 242.362 3.623 30 1 BHEF C[C@@H]1C[C@H]1c1[nH]c2cc(Cl)c(F)cc2c1C#N 587630337 JEIPAHNVUAUALK-RNFRBKRXSA-N 248.688 3.955 30 1 BHEF C=C1CCC=C(C)[C@H](O)CC(C)(C)[C@H]2C[C@H]12 1857743359 OAGCICGOMKMMKK-HZSPNIEDSA-N 220.356 3.696 30 1 BHEF CC(=O)C1=CC[C@H](CCc2ccccc2)CC1 26833817 MTDXRQOJEWPJOL-HNNXBMFYSA-N 228.335 3.935 30 1 BHEF C=C1C(=O)O[C@H]2C/C(C)=C/CC/C(C)=C/C[C@@H]12 85509023 BBMLTTOFEBDQIR-WHGATNDHSA-N 232.323 3.551 30 1 BHEF biogenic,in-vitro C=C1CC[C@@H]2[C@H](C(=C)C)CC[C@]2(C)C[C@H]1O 13432059 KNGFBLYDZOXQMM-GBJTYRQASA-N 220.356 3.696 30 1 BHEF biogenic CC[C@H](C)/C=C/C=C/C=C/C(O)=C/C(C)=O 238740650 MREIRTWZXYCJLD-KQAYGNDXSA-N 220.312 3.732 30 1 BHEF C=C1CCC=C(C)[C@H](O)C[C@H]2[C@@H]1CC2(C)C 2356518374 OIEGRICJBAVBOD-HZSPNIEDSA-N 220.356 3.696 30 1 BHEF C=C1CC[C@H](C(C)C)[C@@H]2C[C@H](C)[C@H](O)C[C@@H]12 2356697053 HMNKVQOCUYFAGU-AIEDFZFUSA-N 222.372 3.632 30 1 BHEF Cc1ccsc1/C=N\c1ccc(O)cc1 101436676 TUBHKLACJAIFEO-JYRVWZFOSA-N 217.293 3.513 30 1 BHEF C=C1C[C@@H]2[C@H](C=C1C)[C@H](C(C)C)CC[C@@]2(C)O 2356473251 YXRUPFKBLNUVSR-ZJIFWQFVSA-N 234.383 3.942 30 1 BHEF C=CCCC[C@H](O)C=CC=CC#CC#CCCC 2356488499 OZLLXPCFMABHIA-KRWDZBQOSA-N 242.362 3.623 30 1 BHEF C=C1CCC[C@]2(C)CC[C@H](C(C)C)[C@@H]2[C@@H]1O 14559419 WILHOAUMXSHURF-KBUPBQIOSA-N 222.372 3.776 30 1 BHEF biogenic CC(C)c1[nH]c2ccc(F)c(Cl)c2c1C#N 587630861 ROGJIKYSOJBGSH-UHFFFAOYSA-N 236.677 3.955 30 1 BHEF C=C(C)C1=CC(=O)[C@H](C)[C@@H]2CCC(C)=C[C@@H]12 2356504240 IOWYPXJMCFZBEY-MBNYWOFBSA-N 216.324 3.680 30 1 BHEF C=C(C)[C@@H]1CC[C@H](C)[C@H]2CCC(CO)=C[C@H]12 13381271 WLYWLGVSETTZFS-SPWCGHHHSA-N 220.356 3.554 30 1 BHEF biogenic C=C1C[C@H](O)C[C@@]2(C)CC=C(C(C)C)C[C@@H]12 15206984 VOQCANHVRSWHJK-SOUVJXGZSA-N 220.356 3.696 30 1 BHEF biogenic C[C@@H]1CC[C@H]2O[C@]23CC[C@H]2[C@H](C2(C)C)[C@]13C 95884223 UYPPHUAQDGUVKN-CLMGUBIUSA-N 220.356 3.626 30 1 BHEF CCCCCCC[C@H](O)C/C=C/CCC(=O)O 238753885 ZOHRMFGRPIENQB-CFNZNRNTSA-N 242.359 3.519 30 1 BHEF C=C1CC[C@H](C(C)C)[C@@H]2C=C(C)[C@H](O)C[C@@H]12 2356379875 JZVCCTGSDKAMAW-CBBWQLFWSA-N 220.356 3.552 30 1 BHEF C=C1[C@H]2O[C@H]2C=C(C)CC[C@@H]2[C@H]1CC2(C)C 2356672838 ZNEXISBKZUKEQK-RFQIPJPRSA-N 218.340 3.712 30 1 BHEF CC(C)(C)C#CC(=O)c1ccc(Cl)cc1 359561 PYDKUHADBWFJEA-UHFFFAOYSA-N 220.699 3.572 30 1 BHEF C=C1CCC(=O)CCC[C@H]2[C@@H]1CC2(C)C 14614569 SVROROODYLVLSH-OLZOCXBDSA-N 206.329 3.738 30 1 BHEF biogenic CCCCCc1ccc(C(=O)C/C=N/OC)cc1 101513391 XRQIPKSGDGYPQL-FOWTUZBSSA-N 247.338 3.624 30 1 BHEF C=C(C)[C@@H]1C[C@@]2(C)C(=CC1=O)C=CC[C@@H]2C 2356602776 LJZMUACYVPDSPJ-CORIIIEPSA-N 216.324 3.680 30 1 BHEF C=CCCC[C@]12CCCc3cccc(c31)NC2=O 1631790 AHLXYZLFKAUGCX-INIZCTEOSA-N 241.334 3.569 30 1 BHEF CCCCN1CCC[C@@H](c2cccc(C#N)c2)C1 3785166 RBAZQAAINJJBRX-MRXNPFEDSA-N 242.366 3.538 30 1 BHEF C=C1[C@H]2CC[C@@H](C2)[C@]1(C)CCC=C(C)C(=O)OC 2356635213 WUOSCGIEMBSQHH-OFQRWUPVSA-N 248.366 3.878 30 1 BHEF N#C[C@@H](CC1CC1)c1ccc(Cl)cc1 95873006 ZRHDKPQQVFPKFY-LLVKDONJSA-N 205.688 3.747 30 1 BHEF CC(C)=C1C/C=C(/C)CC[C@H]2O[C@@]2(C)CC1=O 15160629 BRHJBHVGLHMQCU-WDXBHHQGSA-N 234.339 3.570 30 1 BHEF endogenous,in-man C=C(C)[C@@H]1CC[C@@](C)(O)[C@@H]2CC[C@@H](C)[C@H]2C1 33833350 VYOZKWKETGHHDW-KJWHEZOQSA-N 222.372 3.776 30 1 BHEF endogenous,in-man C=CCCCC/C=C/CC#CC#CC(=O)CC=C 523041630 OIADRRDZAXOFSU-MDZDMXLPSA-N 240.346 3.831 30 1 BHEF biogenic CC(C)=C1C[C@@H]2O[C@]2(C)CC[C@@H]2C[C@]2(C)CC1=O 2356421082 YMFOAVNNIBPOJO-MSQAHXEGSA-N 248.366 3.650 30 1 BHEF C=CCc1cc(OCC)ccc1OCCC 103287527 CXIMOHMSRCPWEN-UHFFFAOYSA-N 220.312 3.603 30 1 BHEF C=C1CC[C@H]2C[C@H]1C(C)(C)C[C@H](O)/C=C/2C 195122958 CXCWPODYESQSPM-YADFJFBMSA-N 220.356 3.696 30 1 BHEF CC(=O)C(=Cc1ccccc1)c1ccccc1 1857626357 PXTNHINUEHWZIX-UHFFFAOYSA-N 222.287 3.816 30 1 BHEF C=C1C(=O)O[C@H]2C=C(C)CCCC(C)=CC[C@@H]12 2356785907 YASQWKKSUDWLGB-KBPBESRZSA-N 232.323 3.551 30 1 BHEF C=C[C@@]1(C)CC[C@H](O)[C@@](C)(CCC=C(C)C)O1 15160366 QHQOBRMEKGKJNF-SOUVJXGZSA-N 238.371 3.608 30 1 BHEF C=C1CC[C@@](C)(c2ccc(C=O)cc2)[C@H]1C 85996057 KRHXCOJQYVTERL-SWLSCSKDSA-N 214.308 3.743 30 1 BHEF C=C1CCCC(C)(C)[C@H]1C=CC(=O)CC 2356285878 VBPVRSYPVFNWFV-ZDUSSCGKSA-N 206.329 3.904 30 1 BHEF C=C[C@@]1(C)CC[C@H](C(C)C)[C@@H](O)[C@H]1C(=C)C 85664077 WOULTTPZJDSDEI-TUVASFSCSA-N 222.372 3.798 30 1 BHEF endogenous,in-man C=C(C)[C@@H]1CC[C@@]2(C)C[C@@H](O)CC(C)=C2C1 32197640 NFZWWJWNBXICBW-IPYPFGDCSA-N 220.356 3.840 30 1 BHEF C=C1CC[C@H](C)C(C)=C[C@H]2[C@H]1CC[C@]2(C)O 49785941 LMBNOBPWWFAPHY-HJPIBITLSA-N 220.356 3.696 30 1 BHEF C=C(C)[C@@H]1CC(=O)[C@]2(C)CCC=C(C)[C@@H]2C1 15206876 NCURUZQWQGIRTM-KCQAQPDRSA-N 218.340 3.904 30 1 BHEF biogenic C/C=C/C=C/C#C/C=C/C=C/CCCCCO 238731202 SRSRBQUPBCJEJU-BDPLZKCDSA-N 230.351 3.787 30 1 BHEF CC1(C)c2ccoc2C[C@@H]2C=C(CS)CC[C@H]21 15222156 PKAGIPGFVIAUKV-NWDGAFQWSA-N 248.391 3.996 30 1 BHEF biogenic C/C=C/C=C/C#C/C=C/C=C/CCCCC(=O)O 38789052 PQEDBXYGXRUDBS-BDPLZKCDSA-N 244.334 3.880 30 1 BHEF CC(C)[C@@H]1CC[C@](C)(C#N)[C@@H]2CC[C@](C)(O)C=C12 2356387714 DZOJEAIEMYKNFO-XZDPQHSOSA-N 247.382 3.670 30 1 BHEF C=C(C)[C@@H]1CC[C@@H]2CCC[C@](C)(O)[C@]2(C)C1 2356608514 AJAZIQKKRHDLGH-BARDWOONSA-N 222.372 3.920 30 1 BHEF C=C1CC[C@@H]2[C@@H](C1)[C@H](C(C)C)CC[C@]2(C)O 14918763 DCGIIRVFKWJQME-XQLPTFJDSA-N 222.372 3.776 30 1 BHEF C=CC(C)(C)c1nc2ccc(CC)cc2[nH]1 587954419 TWVLLNGLFLQRJY-UHFFFAOYSA-N 214.312 3.589 30 1 BHEF C=C1CCC=C[C@H](C)C(=O)[C@@H]2[C@H]1CC2(C)C 2356587589 QGLAKZJZPXRQJR-AVGNSLFASA-N 218.340 3.760 30 1 BHEF CCC(=O)C=CC=CC=CC1=N[C@@H](C)C=CC=C1 2356707412 WJIGOTVFVWHJRY-AWEZNQCLSA-N 241.334 3.590 30 1 BHEF CC1=C[C@H]2[C@@H](CC(=O)C(C)=CCC1)C2(C)C 2356806441 VTFXNPIKZFBNTG-QWHCGFSZSA-N 218.340 3.904 30 1 BHEF CC[C@H](C)N1CCC[C@@H](c2cccc(C#N)c2)C1 13738278 TYYIXERJKMDZBL-XJKSGUPXSA-N 242.366 3.536 30 1 BHEF C=C(C)[C@@H]1CC[C@@H]2[C@@H](C1)[C@@H](C)CC[C@]2(C)O 14408365 BUXOZBGFHXEDIJ-ZQNQSHIBSA-N 222.372 3.776 30 1 BHEF C=C(C)[C@@H]1CC[C@H]2C(=O)CC[C@@H](C)[C@@]2(C)C1 85725645 YHPOLTFUARNADB-GUIRCDHDSA-N 220.356 3.984 30 1 BHEF in-man CCc1c(CC#N)[nH]c2cc(Cl)c(F)cc12 587630014 DDASCWCQQKKAHU-UHFFFAOYSA-N 236.677 3.589 30 1 BHEF C=C1Nc2ccc(Br)cc2C1(C)C 957575755 HXLBJJDASRFCEJ-UHFFFAOYSA-N 238.128 3.666 30 1 BHEF C=C1CC/C=C(\CO)CC[C@H]2[C@@H]1CC2(C)C 5762523 MGIQTXDHQJGPEZ-QQKWEAIHSA-N 220.356 3.698 30 1 BHEF biogenic,in-vitro C=C1CC[C@@H]2C[C@@H]1C(C)(C)C[C@@H](O)C=C2C 169290870 CXCWPODYESQSPM-RDBSUJKOSA-N 220.356 3.696 30 1 BHEF C=C1CC[C@@H]2[C@H]([C@@H]3C[C@H](C)C[C@@H]13)[C@]2(CN)CCC 2356638276 XWAUJEHNVCPJSC-GDTQZPFGSA-N 247.426 3.990 30 1 BHEF C=C(C(=O)O)[C@@H]1C=C2C(C)=CCC[C@@]2(C)CC1 15207993 PPPHDQNXPNUKNK-WFASDCNBSA-N 232.323 3.710 30 1 BHEF biogenic CCCCCCC=CC=CC#CC#CC=CCO 2356425432 MNRSGFGJPZSJIX-UHFFFAOYSA-N 242.362 3.625 30 1 BHEF C=C(C)[C@@H]1C=C2[C@@](C)(CCC[C@@]2(C)O)CC1 15207228 NZGMCTHRDPVWIP-AEGPPILISA-N 220.356 3.840 30 1 BHEF biogenic CCC(=O)/C=C\C=C\C=C/C1=N[C@@H](C)C=CC=C1 85886059 WJIGOTVFVWHJRY-LUUFIYKZSA-N 241.334 3.590 30 1 BHEF endogenous,in-man C=C[C@@]1(C)CC[C@@H]([C@@H](C)c2ccc(C)o2)O1 238743173 RZQBBGYIEUNQIV-UBHSHLNASA-N 220.312 3.815 30 1 BHEF CC1=C2[C@H](CC1=O)[C@H](C)CC[C@H]1[C@@H]2C1(C)C 238748801 ZEEUIOBUKGZKPS-GJTWSCIVSA-N 218.340 3.594 30 1 BHEF C#Cc1cccc(-c2nc3c(C)ccc(C)c3[nH]2)c1 586880984 QYNKGQKNRCUBMQ-UHFFFAOYSA-N 246.313 3.828 30 1 BHEF C=C1CCC[C@@]2(C)[C@H]1C[C@@H](C(C)C)C[C@H]2O 2356447151 WOKMOHTUPBAZGC-BARDWOONSA-N 222.372 3.776 30 1 BHEF CCC#CCCCCCCCC[C@@H](F)C(=O)O 5757881 VOYDXDPCGKRZSZ-CYBMUJFWSA-N 242.334 3.943 30 1 BHEF CC(=O)/C(C)=C/C=C/C=C/C=C/c1cccnc1 140278963 UBUAEHWEDNZXNZ-IUYZRXEPSA-N 239.318 3.743 30 1 BHEF C=C1CCC=C1[C@H]1[C@@H]2CC[C@@]1(C)OC2(C)C 238746656 NHPDMJIPAMOTCH-KCQAQPDRSA-N 218.340 3.857 30 1 BHEF C=C(C)[C@@H]1CCC(C)=C2C(=O)C=C(C)[C@@H]2C1 1857754235 CWQFHQFFMILJIA-OLZOCXBDSA-N 216.324 3.824 30 1 BHEF C=C[C@]1(C)CC[C@H]([C@@H](C)C(=O)C=CC(C)C)O1 2356541777 NMSXSGMHOUHHGP-NWANDNLSSA-N 236.355 3.528 30 1 BHEF C=C1CC[C@H]2C(C)(C)CCC[C@]2(C)[C@H]1C(=O)O 15148108 ZUSZUAKJXSYYSA-ZOWXZIJZSA-N 236.355 3.870 30 1 BHEF C=C[C@@H]1CC[C@H](C(C)C)C(=O)[C@H]1C(=C)C 2356727626 QGRQKLHZONWMTM-UPJWGTAASA-N 206.329 3.616 30 1 BHEF C=C1CC[C@@H](C(C)C)[C@@]12CC=C(CO)CC2 13307452 KRFRPUONKQFTDH-LSDHHAIUSA-N 220.356 3.698 30 1 BHEF biogenic C=C(C)[C@@H]1CC[C@@H](C)c2c1cc(C)c(O)c2O 13381391 RSZOVYRXXYVNDQ-KOLCDFICSA-N 232.323 3.963 30 1 BHEF biogenic C=C1[C@H](CO)C[C@@]2(C)CCCC(C)(C)[C@@]12C 85977654 ZAJCGIUTBZQWJO-NWANDNLSSA-N 222.372 3.778 30 1 BHEF C=CCc1cc(OC)ccc1OCCCC 103287452 AXDLEHLSXAXGHU-UHFFFAOYSA-N 220.312 3.603 30 1 BHEF CCCc1[nH]c2ccc(C#N)cc2c1CCC 15935751 RAHLKWTVTHEWQI-UHFFFAOYSA-N 226.323 3.945 30 3 BHEF C=CC[C@@](O)(C#Cc1ccccc1)c1ccccc1 8860539 OGGJVCYZHIWFMJ-GOSISDBHSA-N 248.325 3.502 30 1 BHEF C=C(C)[C@H]1CC2=C(CC[C@@H]2C)[C@@H](C)C[C@H]1O 40934478 BRFKQPRYMGBIFJ-HTTKSJEASA-N 220.356 3.696 30 1 BHEF C=C[C@]1(C)CC[C@H](C(C)C)[C@@H](O)[C@H]1C(=C)C 85664072 WOULTTPZJDSDEI-KBUPBQIOSA-N 222.372 3.798 30 1 BHEF endogenous,in-man C=C1CC[C@H](C(C)C)[C@H]2C=C(C)C(=O)C[C@H]12 95909940 QUTSKAAVYUOEQA-MGPQQGTHSA-N 218.340 3.760 30 1 BHEF biogenic,in-vitro CCC(CC)C[C@@]1(C)SC(O)=C(C)C1=O 101033164 OMQNPOBILVHKED-GFCCVEGCSA-N 228.357 3.677 30 1 BHEF C=CCCCCC/C=C\CC#CC#C/C=C\CO 206584456 YIVFXIIHTUAIBW-APAMCJOLSA-N 242.362 3.625 30 1 BHEF COc1ccc(/C=C2\CCCCCC2=O)cc1 1651680 XKNSEAKHAWMCQK-ACCUITESSA-N 230.307 3.612 30 1 BHEF C=C1CC/C=C(/C)C(=O)C[C@@H]2[C@@H]1CC2(C)C 14445423 KXSUIPOSVGSLQP-CUOXCHRPSA-N 218.340 3.904 30 1 BHEF C=CCc1cccc(OCCCC)c1OCC 103284809 OMWKQDJLDQHHJB-UHFFFAOYSA-N 234.339 3.993 30 1 BHEF C/C1=C\CC[C@]2(CO2)[C@H]2CC(C)(C)[C@@H]2CC1 238760187 AURKDPLYMRHYAY-USNDISCDSA-N 220.356 3.938 30 1 BHEF COC1=C[C@@]2(C)CCC(C(C)C)=CC2=C(C)C1=O 14452537 FHNDXUYNRPSKDT-MRXNPFEDSA-N 246.350 3.798 30 1 BHEF biogenic C=C1CCC[C@]2(C)CC=C([C@@H](C)CO)C[C@@H]12 15207021 RQWRGJGCTMAFBS-AEGPPILISA-N 220.356 3.698 30 1 BHEF biogenic C=C(C)[C@@H]1CC[C@]23O[C@H]2CC[C@H](C)[C@@]3(C)C1 35066405 VNQMXFKWIVIYCC-ZQNQSHIBSA-N 220.356 3.936 30 1 BHEF C=C1CC[C@@H](C(C)C)[C@@H]2C[C@H](C)[C@@H](O)C[C@@H]12 39150146 HMNKVQOCUYFAGU-YTFOTSKYSA-N 222.372 3.632 30 1 BHEF biogenic,in-vitro C=C[C@@]1(C)C(=O)c2occ(C)c2C[C@H]1C(=C)C 13370415 RMLGJWOUYGEILN-SWLSCSKDSA-N 230.307 3.711 30 1 BHEF biogenic CC(=O)CCC(C)=CCC[C@H]1[C@@H](C=O)C1(C)C 2356685757 DFFNANWUVIXRPP-UONOGXRCSA-N 236.355 3.553 30 1 BHEF N#Cc1ccc(/C=C/c2nc3ccccc3[nH]2)cc1 28869383 LQQZSYBHBCWVFK-MDZDMXLPSA-N 245.285 3.605 30 1 BHEF C=CC[C@H](NC1CCCCC1)c1ccco1 17143649 CABMLUDEVRDOKI-ZDUSSCGKSA-N 219.328 3.819 30 1 BHEF N#Cc1c(Cl)c2c(c3c1CCCC3)CCCC2 251336 ITMQYVXCYLXZOL-UHFFFAOYSA-N 245.753 3.969 30 1 BHEF biogenic C/C=C/CCC1=C(C)C(=O)c2c(C)coc2C1=O 14694203 GKCCDKCMOMUYMA-SNAWJCMRSA-N 244.290 3.640 30 1 BHEF C=C(C(=O)OC)[C@@H]1CC[C@@]2(C)CCCC(=C)[C@@H]2C1 137147220 WQPKMCCPWWJBMZ-IJEWVQPXSA-N 248.366 3.878 30 1 BHEF C=C(C)[C@@H]1CC[C@@]2(C)C[C@@H](O)CC(=C)[C@@H]2C1 15207063 OFAYIAUICPXDBC-QPSCCSFWSA-N 220.356 3.696 30 1 BHEF biogenic,in-vitro C=C(C)[C@H]1CC[C@H](C)C2=C(C1)[C@H](C)CC2=O 15264553 NUWMTBMCSQWPDG-TUAOUCFPSA-N 218.340 3.904 30 1 BHEF endogenous,in-man CCCCCCCC[C@@H]1OC(C)=CC1=O 86051839 ZLLDSWALGJWTSW-ZDUSSCGKSA-N 210.317 3.609 30 1 BHEF endogenous,in-man C=C[C@H](O)C#CC#CC=CC=CCCCCCC 2356613711 VQLVMDURNHLTBU-KRWDZBQOSA-N 242.362 3.623 30 1 BHEF Cn1c2cc(=N)ccc-2cc2ccc(N=[N+]=[N-])cc21 377685626 DTFSXPHENMUXOL-UHFFFAOYSA-N 249.277 3.704 30 1 BHEF CCC[C@H](C)C(=O)c1coc2cc(C#N)ccc12 587279665 ZRPASHTYENHFES-JTQLQIEISA-N 241.290 3.923 30 1 BHEF C=C1CC[C@H]2O[C@]2(C)CC[C@H]2[C@H]1CC2(C)C 12153228 NVEQFIOZRFFVFW-RMRHIDDWSA-N 220.356 3.936 30 1 BHEF biogenic,in-vitro C=C1[C@H]2C[C@@H](C[C@@H]3C(C)=CC[C@@H]13)C(C)(C)O2 15160845 UCHRRMWFDLTRHF-XJFOESAGSA-N 218.340 3.712 30 1 BHEF biogenic CC(C)=CCC1(CC=C(C)C)C[C@@H](O)C=CC1=O 71296605 DHMJQJOXFBGZRW-AWEZNQCLSA-N 248.366 3.575 30 1 BHEF C=C(C)[C@@H]1CC[C@H](C)[C@H]2CCC(C)=C2C1=O 238783212 CJWIRAUUWUXYQH-WCFLWFBJSA-N 218.340 3.904 30 1 BHEF CCCS/C(=N/c1ccccc1Cl)NC 28343613 KVAYRWNVYRULCP-UHFFFAOYSA-N 242.775 3.690 30 1 BHEF C=C(C)[C@@H]1CC[C@](C)(O)[C@@H]2CC[C@@H](C)[C@@H]2C1 230075332 VYOZKWKETGHHDW-QMIVOQANSA-N 222.372 3.776 30 1 BHEF endogenous,in-man C=C1C=C[C@H](C(C)C)C[C@@H](O)C(=C)CCC1 2356406880 JUDKJOAKWBVHBX-LSDHHAIUSA-N 220.356 3.862 30 1 BHEF CCCCC1=CN/C(=C2\C=CC(C)=CC2=O)C=C1 100481965 YCNKVVDHPYSQGO-CCEZHUSRSA-N 241.334 3.559 30 3 BHEF C=CCCCCCCCCCC(=O)CC=O 59725524 TYOAURLJFNKILJ-UHFFFAOYSA-N 224.344 3.841 30 1 BHEF C=C(C)[C@H]1CCC(C)=CCCC2=C[C@H]1OC2=O 1857626388 FGWWKPRDQNGBKN-ZIAGYGMSSA-N 232.323 3.551 30 1 BHEF CCC(=O)C=CC[C@H]1CC=C(C)C1(C)C 2356322629 TWUIRVFTSHQTGA-LBPRGKRZSA-N 206.329 3.904 30 1 BHEF C=C(C)C1=CC(=O)C2=C(OC1=C)[C@H](C)CCC2 13396863 LIKVZNBOYGRKRL-SNVBAGLBSA-N 230.307 3.676 30 1 BHEF biogenic C=C(CCC[C@H](C)CC)C[C@H](O)C[C@@H](C)CO 15214213 VBYQXYSSKALZIL-YUELXQCFSA-N 242.403 3.529 30 1 BHEF endogenous,in-man C=C1CCC[C@@]2(C)CC[C@H]([C@@H](NC=O)C(C)C)[C@@H]12 238752118 SEAGBPMCOQAENU-FZKCQIBNSA-N 249.398 3.530 30 1 BHEF C=C1C[C@H](O)[C@H](C(C)C)[C@H]2C=C(C)CC[C@@H]12 13381243 UHPAOJOYWJZLCG-ZQDZILKHSA-N 220.356 3.552 30 1 BHEF biogenic C=C1CC[C@H](C(C)C)[C@@H]2C[C@@H](C)C(=O)C[C@H]12 2356459038 YXYPLDHJBJSHKO-SYQHCUMBSA-N 220.356 3.840 30 1 BHEF C=C(C)[C@H]1CC[C@@]2(C)CC[C@@H](O)C(C)=C2C1 15206913 APWLDLGOYJHNIK-CFVMTHIKSA-N 220.356 3.840 30 1 BHEF endogenous,in-man C=C(C(=O)O)[C@@H]1CCC2=CC=C[C@H](C)[C@@]2(C)C1 28468959 MKQPJMPUKSIYDS-JVLSTEMRSA-N 232.323 3.566 30 1 BHEF CC(=O)C1=CC2=C(C)CCC[C@@]2(C)CC1 32165020 MHDZZWJRZISHQQ-AWEZNQCLSA-N 204.313 3.802 30 1 BHEF C=C1C=CC(=O)[C@@H]2[C@H](Cc3ccccc3)CC[C@H]12 95561322 IUYPOADQBCMNFT-ZMSDIMECSA-N 238.330 3.567 30 1 BHEF Cc1ccc([C@@H](C)CC[C@H]2OC2(C)C)c(O)c1 95575551 UQPUIYSLIAOKCT-SMDDNHRTSA-N 234.339 3.762 30 1 BHEF C=C(C)[C@@H]1CC[C@@]2(C)CCC[C@@H](C)[C@@H]2[C@H]1NC=O 140194886 SCDYNLKSAWFNMO-DGADGQDISA-N 249.398 3.530 30 1 BHEF CC1=CCC[C@H](C=O)[C@H]2CC(C)(C)[C@H]2CC1 2356388855 VLWNRFXSKLVVEB-MCIONIFRSA-N 220.356 3.984 30 1 BHEF CC(C)=C1C/C=C(/C)CC[C@@H]2O[C@@]2(C)CC1=O 15160628 BRHJBHVGLHMQCU-TWWRYUQQSA-N 234.339 3.570 30 1 BHEF endogenous,in-man C=C1CCC[C@]2(C)CC=C([C@H](C)CO)C[C@@H]12 15207023 RQWRGJGCTMAFBS-VHDGCEQUSA-N 220.356 3.698 30 1 BHEF biogenic CC[C@H](C)c1nc2cc(C#N)cc(Cl)c2[nH]1 587956210 OGFLUUIYAPCOAE-ZETCQYMHSA-N 233.702 3.601 30 1 BHEF C=C[C@@](C)(/C=C/c1ccc(O)cc1)CCC=O 653739792 WCYFPYHPBSIALO-SLZMIMFISA-N 230.307 3.577 30 1 BHEF C=C1CCCC(C)(C)[C@@H]1C=CC(C)=CC(=O)O 2356452394 NPLQKYGNQZPTFE-CYBMUJFWSA-N 234.339 3.956 30 1 BHEF C[C@@H]1CC[C@]2(C)[C@]3(C)O[C@@H]3[C@@]3(C)CCC[C@@]132 2356493828 IDMHLGOISSURSV-BXLXJSPXSA-N 220.356 3.770 30 1 BHEF O=C1CCCC2=C1[C@H](c1ccccc1)CS2 251221 TWCGMLQBHQGODR-NSHDSACASA-N 230.332 3.524 30 1 BHEF C[N+](C)=C/C=C(\Cl)c1ccc2ccccc2c1 6519515 PQHPQOYXTMYEAN-DHDCSXOGSA-N 244.745 3.762 30 1 BHEF C=C[C@]1(C)CC/C=C(\C)CC[C@@H](C(C)(C)O)O1 169333778 LWYUSWLRBKNRLB-SIRQDLBWSA-N 238.371 3.608 30 1 BHEF C=C[C@@](C)(O)C[C@H]1C=C(C)CC[C@H]1C(=C)C 34627062 KPDSVTXZHWEKOQ-QLFBSQMISA-N 220.356 3.862 30 1 BHEF C#CC=CCC=C[C@@H]1CC[C@@H](CC)[C@@H]2CCCN12 2356476000 YASMBDUEGFXWLE-ZACQAIPSSA-N 243.394 3.775 30 1 BHEF C=CC(C)=C[C@]1(CC)SC(=O)C(CC)=C1O 2356620865 GUYLXXKTXNVUKW-ZDUSSCGKSA-N 238.352 3.763 30 1 BHEF C=C1CC[C@H](O)[C@@]2(C)CC=C(C(C)C)C[C@@H]12 15206973 FGPDTARJOXRWJD-KKUMJFAQSA-N 220.356 3.696 30 1 BHEF biogenic C=C1CC[C@@H]2[C@H]([C@@H]3[C@@](C)(O)CC[C@]13C)C2(C)C 2356570504 KMJLGCYDCCCRHH-QUEVPRLRSA-N 234.383 3.776 30 1 BHEF C=C1CC[C@H](C(C)C)C2=C[C@](C)(O)CC[C@H]12 14918203 MQUAYICQWWZUAY-UMVBOHGHSA-N 220.356 3.696 30 1 BHEF biogenic C=C1CCC[C@]2(C)CC[C@](O)(C(C)C)C[C@@H]12 15209548 CAROBQKXUGHYBD-RRFJBIMHSA-N 222.372 3.920 30 1 BHEF biogenic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c1c(CC=C)cccc1OCCC 103284713 BODMMPOKMMAUIP-UHFFFAOYSA-N 232.323 3.769 30 1 BHEF C=C1CCC(=O)[C@]2(C)CC[C@H](C(C)C)[C@H]2C1 14559443 JBOONPKUPONSIB-UMVBOHGHSA-N 220.356 3.984 30 1 BHEF endogenous,in-man N#Cc1c(-c2ccccn2)sc2ccccc12 45390643 ZJXMLZLWCVUYQN-UHFFFAOYSA-N 236.299 3.835 30 1 BHEF C=C1CCC=C(COC)C(=O)C[C@@H]2[C@@H]1CC2(C)C 2356419127 HTWOQGPDBJPHIA-ZIAGYGMSSA-N 248.366 3.531 30 1 BHEF C[C@@H]1C[C@H]2CC(=O)C=CN2c2ccc(Cl)cc21 13813826 YCLJIQZCIRKRBL-KOLCDFICSA-N 247.725 3.509 30 1 BHEF C=C1CC[C@H](C(C)C)[C@@H]2C=C(C)C(=O)C[C@H]12 14918248 QUTSKAAVYUOEQA-MCIONIFRSA-N 218.340 3.760 30 1 BHEF biogenic C=C(C)[C@@]12CC[C@@](C)(O1)[C@@H]1CCC(C)=C[C@H]1O2 14968265 ZMHISHRHYGBSCM-KBUPBQIOSA-N 234.339 3.583 30 1 BHEF biogenic C=C(C)[C@H]1CC2=C(C)CCC[C@]2(C)[C@@H](O)C1 15206942 IKGXPRLTFOMFQV-QEJZJMRPSA-N 220.356 3.840 30 1 BHEF biogenic,in-vitro C=C[C@]1(C)[C@@H](O)C[C@@H](C(=C)C)C[C@H]1C(=C)C 238780893 YFNGGCSSPZBZRN-AJNGGQMLSA-N 220.356 3.718 30 1 BHEF C=C(C)[C@@H]1CC[C@](C)(c2coc(C)c2)O1 2356518968 IZZDJZPSWDSRPI-QWHCGFSZSA-N 206.285 3.558 30 1 BHEF C=C[C@]1(C)[C@@H](O)CC(=C(C)C)C[C@@H]1C(=C)C 2356530492 NXYYOMZNPGACRA-ILXRZTDVSA-N 220.356 3.862 30 1 BHEF C=C1CCC[C@@H]2CC[C@H](C(C)(C)O)C[C@@H]12 2356625730 XFSVWZZZIUIYHP-AGIUHOORSA-N 208.345 3.530 30 1 BHEF C=C(C)C1=CC(=O)[C@H](C)[C@@H]2CCC(C)=C[C@H]12 2356504239 IOWYPXJMCFZBEY-DYEKYZERSA-N 216.324 3.680 30 1 BHEF C/C=C\C=C/C#C/C=C\C=C/CCCC=O 221227311 YRJCRFXFMYBQRP-XYPBADGASA-N 214.308 3.604 30 1 BHEF C=C(C)[C@@H]1CC[C@@]2(C=CC(=O)C[C@@H]2C)C1 2356507803 HPMLWJWXLHFPSW-OUCADQQQSA-N 204.313 3.514 30 1 BHEF [N-]=[N+]=Nc1ccc2c(N)c3ccccc3nc2c1 27982307 PHCPTKDDYRLPAB-UHFFFAOYSA-N 235.250 3.912 30 1 BHEF C=C1/C=C\C[C@H](C)CC(=O)c2c(C)coc2C1 70451217 KIOIOKFCSBQUGC-OAQKJQOQSA-N 230.307 3.856 30 1 BHEF biogenic,in-vitro C=C(C)[C@@H]1CC[C@]2(C)CC(=O)C=C(C)[C@H]2C1 85757298 IVZATFCVCDHOLU-BPLDGKMQSA-N 218.340 3.904 30 1 BHEF endogenous,in-man C=C(C(=O)O)[C@@H]1CC[C@]2(C)CCC[C@@H](C)[C@H]2C1 2356440064 LWPUMUQNDCBNFC-OPQSFPLASA-N 236.355 3.870 30 1 BHEF CC1=C[C@@H]2C(=C(C)C(=O)C[C@@H]2C(C)C)CC1 13381145 VFACPFXGWGDKEY-ZIAGYGMSSA-N 218.340 3.904 30 1 BHEF biogenic C=C[C@@]1(C)CC/C=C(/C)CC[C@H](C(C)(C)O)O1 49792905 LWYUSWLRBKNRLB-AHTUEQHWSA-N 238.371 3.608 30 1 BHEF Cc1coc2c1C1=C(C(=O)C[C@H](C)C1)[C@@H](C)C2 205069454 ZYFISEHWAGWCRY-BDAKNGLRSA-N 230.307 3.533 30 1 BHEF CC1=CC[C@H](C2=CC[C@@H](C=O)CC2)C1(C)C 64624713 HPLBAXHYNYHWIT-TZMCWYRMSA-N 218.340 3.904 30 1 BHEF in-vitro CC1=CCC[C@]2(CO2)[C@H]2CC(C)(C)[C@H]2CC1 2356588599 AURKDPLYMRHYAY-YDHLFZDLSA-N 220.356 3.938 30 1 BHEF C[C@H](C=O)[C@@H]1CC[C@@]2(C)[C@H]3CC[C@@H](C3)[C@]12C 2356784235 NTBLMLGSBLTBPJ-HCDMYHGNSA-N 220.356 3.674 30 1 BHEF C=C1CC[C@@H](O)[C@]2(C)CC=C(C(C)C)C[C@@H]12 15206975 FGPDTARJOXRWJD-RRFJBIMHSA-N 220.356 3.696 30 1 BHEF biogenic,in-vitro C=C(C)[C@H]1CC[C@H](C)C2=C(C1)[C@@H](C)CC2=O 15264555 NUWMTBMCSQWPDG-SRVKXCTJSA-N 218.340 3.904 30 1 BHEF endogenous,in-man CC1=C2C=C(C(C)C)CC[C@H](C)[C@H]2CC1=O 15264573 SWCMXVDXYDTWIO-GXFFZTMASA-N 218.340 3.904 30 1 BHEF biogenic C=CCc1cc(OCCCC)ccc1OCC 103287539 TZAKSIDZTUCLIS-UHFFFAOYSA-N 234.339 3.993 30 1 BHEF C=C1C(=O)O[C@H]2C/C(C)=C/CC/C(C)=C/C[C@H]12 238773627 BBMLTTOFEBDQIR-IAJVGIPZSA-N 232.323 3.551 30 1 BHEF Cc1ccc(-c2nc3cccc(C)c3[nH]2)cc1C#N 587188249 PHSBYNGBCHBSPG-UHFFFAOYSA-N 247.301 3.718 30 1 BHEF CC1=C[C@@H]2[C@@H](CCC(C)=CCC1)[C@@]2(C)C=O 2356449518 PLERVCQIUZNKMR-RBSFLKMASA-N 218.340 3.904 30 1 BHEF C=C(C)C[C@H]1CCC=C2C(=O)CC(C)(C)[C@H]21 2356552713 ZYVOQSKSDNGLKB-RISCZKNCSA-N 218.340 3.904 30 1 BHEF C=C1CC[C@H](C(C)(C)O)[C@H]2C=C(C)CC[C@H]12 2356737992 QHNDBEIHGDNMQH-RDBSUJKOSA-N 220.356 3.696 30 1 BHEF CCC(=N\O)/C(C)=C/c1cnc2ccccc2c1 49035596 YWYZXTKXILWZEC-LDRANXPESA-N 240.306 3.878 30 1 BHEF C=C(C)[C@@H]1CC[C@H](C)[C@]23CC[C@@H](C)[C@@]2(C1)O3 257530730 RGRYQUWGSJPMMK-NJVJYBDUSA-N 220.356 3.936 30 1 BHEF endogenous,in-man C=C1CC[C@](O)(C(C)C)[C@@H]2C[C@@H](C)CC[C@H]12 2356463668 IJLDWTQSNMIJKQ-MYPMTAMASA-N 222.372 3.776 30 1 BHEF C=C[C@]1(C)[C@H](O)C[C@H](C(=C)C)C[C@@H]1C(=C)C 15150128 YFNGGCSSPZBZRN-TUVASFSCSA-N 220.356 3.718 30 1 BHEF biogenic C=C(C)[C@H]1CC(=O)C(C)=C2CC[C@@H](C)[C@H]2C1 70454369 YMXAKLYWISOQCM-MPKXVKKWSA-N 218.340 3.904 30 1 BHEF biogenic,in-vitro CC(C)=C1C[C@@H]2[C@](C)(CC1=O)C[C@H]1C[C@]12C 2356732999 NLBIJGCDYLISQQ-OADPDTJPSA-N 218.340 3.738 30 1 BHEF C=C(C)[C@@H]1C[C@H](O)C2=CCC[C@@H](C)[C@]2(C)C1 15200594 DPDBSHAVHRQWMU-UXOAXIEHSA-N 220.356 3.696 30 1 BHEF biogenic C=C(C)[C@@H]1CC[C@@]2(C)CCCC(=C)[C@@]2(O)C1 15207096 OEFZSVXJENLPRM-KFWWJZLASA-N 220.356 3.840 30 1 BHEF biogenic CC[C@H](S)P(=O)(OC(C)C)OC(C)C 53296837 SGAGKIQXGMCPPU-VIFPVBQESA-N 240.305 3.695 30 1 BHEF in-vivo C[C@@H]1C=CC2=CC(=O)C[C@]2(C)[C@@H]2CCCC[C@@H]12 2356581303 REPSZHDKTARSEN-CAPXZKIUSA-N 230.351 3.904 30 1 BHEF C=C1CC[C@@H]2[C@H]([C@@H]3C[C@@H](C)C[C@H]13)[C@]2(CN)CCC 85545026 XWAUJEHNVCPJSC-FCTGFMJPSA-N 247.426 3.990 30 1 BHEF biogenic,in-vitro C=C(C)[C@@H]1CC[C@H](C)[C@]12C[C@@H](C(C)C)C(=O)O2 169644567 JBUPYYZICGGNGI-PWNZVWSESA-N 236.355 3.567 30 1 BHEF C=C1CCC[C@]2(C)CC[C@@H]([C@H](C)C(=O)O)C[C@@H]12 15206735 QXRKIZKJLNNMNC-SFDCQRBFSA-N 236.355 3.870 30 1 BHEF N#Cc1ccc2nc3ccc4ccccc4n3c2c1 28869177 VWZNXCPFKGEPRL-UHFFFAOYSA-N 243.269 3.512 30 1 BHEF C=C1C(=O)O[C@@H]2C=C(C)CC=C(C)CCC[C@@H]12 2356585357 MXFLMEIBRFFKKN-UONOGXRCSA-N 232.323 3.551 30 1 BHEF C/C=C\C=C\C#C/C=C\C=C/CCCOC(C)=O 238780233 UWBOXJNXDPRYIO-HCDTZKMESA-N 244.334 3.578 30 1 BHEF C=CCC(C)(C)c1nc2ccc(CC)cc2[nH]1 587954156 GEEORFDZOIBRKT-UHFFFAOYSA-N 228.339 3.979 30 1 BHEF C=C1C=C[C@@]2(C[C@H]1O)[C@@H](C)CC[C@H]2C(C)C 14413198 QLUSLBMNADHHII-BYNSBNAKSA-N 220.356 3.552 30 1 BHEF C=C1CC[C@H](C(C)C)[C@@H]2C=C(C)C[C@H](O)[C@H]12 14918097 WFHKESPONQXPGD-CBBWQLFWSA-N 220.356 3.552 30 1 BHEF biogenic C/C=C/C=C\C#C/C=C\C=C/CCCOC(C)=O 238780229 UWBOXJNXDPRYIO-WBQSIOEISA-N 244.334 3.578 30 1 BHEF C=CC(C)(C)c1nc2cc(C#N)cc(Cl)c2[nH]1 587954094 CAZXQDVUFFERBT-UHFFFAOYSA-N 245.713 3.552 30 1 BHEF C=C(C)[C@@H]1CC=C(CCOC(=O)CC)CC1 29042712 FHCSIKMFBWKCRC-CYBMUJFWSA-N 222.328 3.632 30 1 BHEF C=CCc1cccc2nc([C@H](C)CC)[nH]c12 587955921 MCXLNKDJMBEEAF-SNVBAGLBSA-N 214.312 3.805 30 1 BHEF C=C1CC[C@H](C(C)C)[C@@H]2C[C@H](C)[C@H](O)C[C@H]12 2356697055 HMNKVQOCUYFAGU-VYDRJRHOSA-N 222.372 3.632 30 1 BHEF C=CCC[C@@H](CC=C(C)CCO)C(=C)C 2356721350 BOOBJSIZYLHKKZ-AWEZNQCLSA-N 208.345 3.864 30 1 BHEF CC1=C[C@@H]2[C@H](CC(=O)C(C)=CCC1)C2(C)C 2356806439 VTFXNPIKZFBNTG-OLZOCXBDSA-N 218.340 3.904 30 1 BHEF CC1(C)CCC[C@]2(C)[C@H]1CC[C@@]2(C)C=O 13374724 CNTXEQHESHSVFZ-FPMFFAJLSA-N 208.345 3.818 30 1 BHEF biogenic C=CCCC[C@@]12CCCc3cccc(c31)NC2=O 5600958 AHLXYZLFKAUGCX-MRXNPFEDSA-N 241.334 3.569 30 1 BHEF C=C[C@@]1(C)CC[C@H]([C@H](C)C(=O)CC=C(C)C)O1 33950087 FJKKZNIYYVEYOL-YUELXQCFSA-N 236.355 3.672 30 1 BHEF endogenous,in-man CC1=CC[C@H](C2=CC[C@H](C=O)CC2)C1(C)C 64624710 HPLBAXHYNYHWIT-GXTWGEPZSA-N 218.340 3.904 30 1 BHEF in-vitro C=C[C@]1(C)CCC=C(C)CC[C@H](C(C)(C)O)O1 253779080 LWYUSWLRBKNRLB-UKRRQHHQSA-N 238.371 3.608 30 1 BHEF C=C1CCCC(C)(C)[C@@H]2C=C(CO)CC[C@@H]12 14439360 MEEBLBVTPMZTSU-UONOGXRCSA-N 220.356 3.698 30 1 BHEF biogenic C=C1CC[C@H](C(C)C)C[C@H]2[C@@H]1C[C@H]1O[C@@]21C 34754154 GRFUZLFGLOUXHE-ZQNQSHIBSA-N 220.356 3.792 30 1 BHEF C=C1CC/C=C(/CO)CC[C@@H]2[C@H]1CC2(C)C 13383773 MGIQTXDHQJGPEZ-GNZFURHMSA-N 220.356 3.698 30 1 BHEF endogenous,in-man CC1=C[C@@H]2[C@@H](C(C)C)C[C@H]3O[C@@]3(C)[C@@H]2CC1 140405682 NJXSJJGSVBUNSP-RYPNDVFKSA-N 220.356 3.792 30 1 BHEF C/C=C/C#CC#C/C=C/C=C\CCCCCCO 221224897 CGLLCCUJRHGHTR-MRKYAXMKSA-N 242.362 3.625 30 1 BHEF C=CC(C)(C)c1nc2cc(Cl)cc(C)c2[nH]1 587954308 OGSKPJXBVCHPPP-UHFFFAOYSA-N 234.730 3.988 30 1 BHEF C=C1CCC[C@]2(C)C(=O)c3occ(C)c3C[C@@H]12 1857635911 DBKNDUKGRFEQOY-WFASDCNBSA-N 230.307 3.689 30 1 BHEF C=C[C@@](C)(O)CCC=C(C)CC(=O)CC(C)C 2356331604 LFCOUSYLSOXCHP-OAHLLOKOSA-N 238.371 3.655 30 1 BHEF C=C(CCC[C@H](C)CC)C[C@@H](O)C[C@H](C)CO 257561628 VBYQXYSSKALZIL-VHDGCEQUSA-N 242.403 3.529 30 1 BHEF endogenous,in-man O=C1C=CC(=C/C=C2/C=Cc3ccccc3N2)C=C1 13130072 WARJXDBOKITTHI-DHDCSXOGSA-N 247.297 3.631 30 3 BHEF C=CC#C/C=C\CCCCCCCC=O 59725509 VHKRYAJKUGIJBD-WAYWQWQTSA-N 204.313 3.662 30 1 BHEF CC1=CC[C@@H](C2=CCC[C@@H](C=O)C2)C1(C)C 64624721 UHFUWRDULSRXQB-OCCSQVGLSA-N 218.340 3.904 30 1 BHEF in-vitro Cc1ccsc1/C=N\c1ccc(F)cc1 46293 ULCVTIPZJYLPPC-ZSOIEALJSA-N 219.284 3.946 30 1 BHEF C=C(C)[C@@H]1CC2=C(C)CCC[C@]2(C)[C@@H](O)C1 15206944 IKGXPRLTFOMFQV-SNPRPXQTSA-N 220.356 3.840 30 1 BHEF biogenic CCCCCCCCCC(=O)C(=O)CC 73163349 DPYKXOIMVHNHBJ-UHFFFAOYSA-N 212.333 3.675 30 1 BHEF C=C1CCC=C(C)CC[C@@H]2[C@H]([C@@H]1O)C2(C)C 2356580999 HDPSCJCUYZMNFI-MGPQQGTHSA-N 220.356 3.696 30 1 BHEF CC#CC#Cc1ccc(-c2cccs2)s1 14639354 WCCMITHHMNKYNC-UHFFFAOYSA-N 228.341 3.851 30 1 BHEF biogenic CC1=C2C(=O)c3c(C)coc3C[C@@]2(C)C=CC1 15221499 ZAUXXSQCVPKKPE-OAHLLOKOSA-N 228.291 3.610 30 1 BHEF biogenic,in-vitro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c1ccc(C(=O)O)cc1)C(C)(C)C 29390654 NIFLIMZCOWAOGB-ZDUSSCGKSA-N 248.322 3.675 30 1 BHEF Cc1ccccc1C#CC1=CC(=O)CC(C)(C)C1 61921114 ZEJLILUOAKAQFS-UHFFFAOYSA-N 238.330 3.662 30 3 BHEF C=C1CC[C@H]2C(C)=CC[C@H](C(C)C)[C@H]2C1=O 238749905 VDMHNWBQSSGYNR-HZSPNIEDSA-N 218.340 3.760 30 1 BHEF C=CC=CCCC=CC=CC#CC=C[C@H](O)CC 2356754804 MVKBONQMBUOZPH-QGZVFWFLSA-N 242.362 3.952 30 1 BHEF C[n+]1c2ccccc2cc2c(N=[N+]=[N-])cccc21 27978817 GBFNZXWJSYJNHC-UHFFFAOYSA-N 235.270 3.759 30 1 BHEF C=C1CCC=C(C)CC[C@@H]2[C@H]1[C@@H](O)C2(C)C 2356408368 DNWWLTIHFSGXHB-HZSPNIEDSA-N 220.356 3.696 30 1 BHEF [N-]=[N+]=Nc1c([N+](=O)[O-])c(Cl)nc2ccccc12 17253730 JISYBWRSFMWCAG-UHFFFAOYSA-N 249.617 3.738 30 1 BHEF CCCCCCCCCCCCCNC(N)=O 59714096 VIFASLUWVPBABR-UHFFFAOYSA-N 242.407 3.966 30 1 BHEF C=CCc1cc(CC=C(C)C)c(O)c(OC)c1 14589613 DMTXIGDETOUISX-UHFFFAOYSA-N 232.323 3.638 30 1 BHEF biogenic C#CCCC[C@@H]1CC[C@@H](CC)[C@@H]2CCCCN21 15205488 SEQIAVIADXOFPB-OAGGEKHMSA-N 233.399 3.833 30 1 BHEF C=C(C(=O)O)[C@H]1CC[C@@]2(C)C=CC=C(C)[C@@H]2C1 15207978 WUAXEEZNSBQKSA-KCQAQPDRSA-N 232.323 3.566 30 1 BHEF endogenous,in-man C=C(C)CC(=O)OC[C@@H]1C[C@H](C(=C)C)C1(C)C 14659695 DYIOGDMFNJSASB-QWHCGFSZSA-N 236.355 3.734 30 1 BHEF biogenic C=C1CCC(C)(C)[C@@H]2CCC(C(=O)O)=CC[C@@H]12 59046894 GZEPUFIOVTWNFQ-QWHCGFSZSA-N 234.339 3.790 30 1 BHEF O=C1C(Cl)=Cc2cccc3cccc1c23 103208023 IAMVAELQMGLWQD-UHFFFAOYSA-N 214.651 3.616 30 1 BHEF C=C(C)[C@H]1CC[C@@](C)(c2coc(C)c2)O1 238775411 IZZDJZPSWDSRPI-OLZOCXBDSA-N 206.285 3.558 30 1 BHEF CCCC/C=C/c1nc2cccc(C#N)c2[nH]1 587965616 NVZJFTGJDVFMSI-WEVVVXLNSA-N 225.295 3.638 30 1 BHEF CCCCCC/C=C/[C@@]1(C)SC(=O)C=C1O 101125889 SZDCJIMHFXZYTR-MMQHEFTJSA-N 240.368 3.987 30 1 BHEF CC1(C)CC(O)=C/C(=N/Cc2ccccc2)C1 103543149 IUSQCFHSKPVVJX-SSZFMOIBSA-N 229.323 3.890 30 1 BHEF CC(C)=CC(=O)C/C(C)=C/CC/C(C)=C/CO 14452706 VCXVMWVWGVWZPY-CCLLZULESA-N 236.355 3.577 30 1 BHEF endogenous,in-man C=C(C)[C@@H]1CCCC2=C3[C@H](C[C@@H](C)[C@@H]3C1)OC2=O 2356352818 CARIPAAQQKWUCB-RFHZTLPTSA-N 246.350 3.631 30 1 BHEF CC(C)C1=CC[C@]2(C)CCC[C@H](C)[C@]23O[C@@H]13 2356608149 GPSWCNUIGKDSHT-CYUUQNCZSA-N 220.356 3.936 30 1 BHEF CCCCCC[C@H](/C=N/O)[C@@](C)(O)CCC 17196042 FWDMPPJLAFGVPE-PDRVLSSUSA-N 229.364 3.584 30 1 BHEF CC1=C2C[C@H]3CC[C@H]4CC=C[C@@H](C1=O)[C@@]24C3(C)C 85549725 AKTRBMPSJRIWDY-KOFHJDLBSA-N 242.362 3.904 30 1 BHEF biogenic,in-vitro C=C(C)[C@H]1CC[C@@]2(C)CC=C(C(=O)O)CC[C@H]12 13432051 XGIXSMYBMGPSNO-UMVBOHGHSA-N 234.339 3.790 30 1 BHEF C=C[C@]1(C)CC[C@H](C(C)=C2C=CC(C)(C)O2)O1 2356471552 ZFMNPTVNDZBEHA-UKRRQHHQSA-N 234.339 3.749 30 1 BHEF C=C1CCC=C(C)[C@H](O)CC(C)(C)[C@H]2C[C@@H]12 2356510123 OAGCICGOMKMMKK-MELADBBJSA-N 220.356 3.696 30 1 BHEF CC1=C[C@@H]2C(=C(C)C)CC[C@H](C)[C@H]2CC1=O 2356515018 WCBCKXJLRYPWHZ-ZLKJLUDKSA-N 218.340 3.904 30 1 BHEF C=C1C=C[C@]2(C[C@@H]1O)[C@@H](C)CC[C@@H]2C(C)C 13307485 QLUSLBMNADHHII-XGUBFFRZSA-N 220.356 3.552 30 1 BHEF biogenic C=C1C(=O)C[C@H](C(C)C)[C@]12CC=C(C)CC2 13307495 XDBOEVDBTVZZRP-HIFRSBDPSA-N 218.340 3.904 30 1 BHEF biogenic C=C1CC[C@H](C(C)C)[C@@H]2C=C(C)C(=O)C[C@@H]12 13381323 QUTSKAAVYUOEQA-RDBSUJKOSA-N 218.340 3.760 30 1 BHEF biogenic C=C1CC[C@@]23C[C@@H]1C(C)(C)[C@@H]2C(=O)C[C@H]3C 39205531 DAOLNGOJJZRASM-MPXAEWJHSA-N 218.340 3.594 30 1 BHEF C=C(C)[C@@H](C)N(O)c1ncc(Cl)cc1Cl 73196855 PFDVCIQKGPMISQ-SSDOTTSWSA-N 247.125 3.549 30 1 BHEF C=C[C@@H](/C=C(\C)COC(=O)CCC)C(=C)C 238757890 AIGHMGUTQUTCPA-SRXBQZRASA-N 222.328 3.654 30 1 BHEF C=C(C)[C@H]1C[C@H](O)[C@@]2(C)CCC=C(C)[C@H]2C1 85532311 IVRQVIHZMLFDBK-KBXIAJHMSA-N 220.356 3.696 30 1 BHEF biogenic,in-vitro C=C[C@@]1(C)CC[C@@H]([C@H](C)C(=O)/C=C/C(C)C)O1 238764108 NMSXSGMHOUHHGP-LMOLBGRBSA-N 236.355 3.528 30 1 BHEF O=C(C/C=N/c1ccccc1F)c1cccs1 169688446 IFELZHLIAFEBIF-OVCLIPMQSA-N 247.294 3.863 30 1 BHEF CCCCOc1nc(C)c(C#N)c2ccccc12 653717186 WOTMWNJLZUQBFM-UHFFFAOYSA-N 240.306 3.594 30 1 BHEF CC1(C)CCC[C@]2(C)[C@@H]1CC[C@@]2(C)C=O 13374722 CNTXEQHESHSVFZ-KWCYVHTRSA-N 208.345 3.818 30 1 BHEF biogenic CC1=C[C@@H]2C(=C(C)C)C(=O)C[C@H](C)[C@@H]2CC1 2356604058 QUSMBBMIOONIAC-AVGNSLFASA-N 218.340 3.904 30 1 BHEF CC(=O)C=C(O)c1c(C)c(C)c(C)c(C)c1C 2356828183 ITKUNWXLRGVDIY-UHFFFAOYSA-N 232.323 3.717 30 1 BHEF C/N=C(\c1ccccc1)c1c(C)cccc1C 13554896 PIHUONJWDXRQFS-WUKNDPDISA-N 223.319 3.771 30 3 BHEF CC(C)(C)O[C@H]1[C@@H](C#Cc2ccccc2)C1(C)C 1089481 UNPREQGPSDDNAV-CABCVRRESA-N 242.362 3.878 30 1 BHEF Cc1ccc(Sc2cccc(N)c2C#N)cc1 5930943 NLGYCJNCIXKPHK-UHFFFAOYSA-N 240.331 3.600 30 1 BHEF in-vivo C=C1CCC[C@@H](C(=O)O)CC[C@@H]2[C@H]1CC2(C)C 13383769 RKHVEZWVFYPTNH-FRRDWIJNSA-N 236.355 3.870 30 1 BHEF C=C(C)[C@@H]1CC[C@]2(C)CCCC(=C)[C@@]2(O)C1 15207102 OEFZSVXJENLPRM-ILXRZTDVSA-N 220.356 3.840 30 1 BHEF biogenic CCCCCCC/C=C/CC#CC#C/C=C\CO 85831765 KJUXJIQGIJBGRT-DBQILDTASA-N 244.378 3.849 30 1 BHEF C=C(C)C(=O)c1coc2ccc(Cl)cc12 587276784 VYQMDASZANVWPP-UHFFFAOYSA-N 220.655 3.845 30 1 BHEF C=C[C@](C)(O)CCC[C@@H](C)CC(=O)C=C(C)C 14452679 VQLQYAMTNKORFK-HIFRSBDPSA-N 238.371 3.655 30 1 BHEF biogenic C#CCOCc1cccc(-c2ccccc2)c1 957806303 QZGOLJFYDXKKLN-UHFFFAOYSA-N 222.287 3.503 30 1 BHEF CC=CC#CC#C[C@H](O)C=CCCCCCCC 2356554379 VYFQRHHQNNXVTJ-KRWDZBQOSA-N 244.378 3.847 30 1 BHEF CC1(C)[C@H]2C=CCC[C@@H]3O[C@@]3(C)CC[C@H]21 2356648218 SGNHFLIRMDBALK-OPDFLTKYSA-N 206.329 3.546 30 1 BHEF C=C1C=C[C@@H](C(C)C)CC(=O)[C@@H](C)C=CC1 2356727395 MXBCSENLKQWEHH-UONOGXRCSA-N 218.340 3.926 30 1 BHEF C=C(C)[C@@H](O)C=Cc1ccc(C(F)(F)F)cc1 1857622662 BSAKFIBWNHXYCK-LBPRGKRZSA-N 242.240 3.656 30 1 BHEF CC1=C[C@@H]2C[C@]3(CC[C@H]2C(C)C)O[C@H]3CC1 238745349 ZBBZNJBCTBFTGY-QPSCCSFWSA-N 220.356 3.936 30 1 BHEF CC1=CC(=O)[C@]23[C@H]1C[C@H](CC[C@H]2C)C3(C)C 14637895 BSDFKVHDDFHAFR-OXJKWZBOSA-N 218.340 3.594 30 1 BHEF biogenic CC1=C[C@H]2[C@H](CC(=O)C(C)=CCC1)C2(C)C 2356806442 VTFXNPIKZFBNTG-STQMWFEESA-N 218.340 3.904 30 1 BHEF C=C1CCC[C@H](CO)CC[C@@H]2[C@H]1CC2(C)C 14920588 QPKKKWDNDWSIRV-MELADBBJSA-N 222.372 3.778 30 1 BHEF biogenic CCc1c(CC#N)[nH]c2c(C)cc(Cl)cc12 587625053 ZEUSHYOWFUISJA-UHFFFAOYSA-N 232.714 3.758 30 1 BHEF CC=CC#CC#CC=CC=CCC[C@H](O)CCC 2356555444 VOLHLYKNKKLHHO-QGZVFWFLSA-N 242.362 3.623 30 1 BHEF C=C1CC[C@H](O)/C(C)=C\C[C@H]2[C@H]1CC2(C)C 5132469 DWUYGFWOANEJRE-ORJHTEBDSA-N 220.356 3.696 30 1 BHEF C=C[C@H]1C(=C)C(=O)Oc2ccc3ccccc3c21 84688565 AZRGZZKIVIRLJC-LBPRGKRZSA-N 236.270 3.585 30 1 BHEF C=C(C)[C@@H]1CC(=O)C2=CCC[C@H](C)[C@@]2(C)C1 85725409 BSUGIIZTULADOL-YWPYICTPSA-N 218.340 3.904 30 1 BHEF C=C(C)[C@@H]1CC[C@H](C)[C@]2(O)CCC(C)=C[C@H]12 2356427142 PWEFVGUEHRMHKN-BYNSBNAKSA-N 220.356 3.696 30 1 BHEF C=C[C@]1(C)CCC(=O)[C@](C)(CCC=C(C)C)O1 15160373 IPMAESOGOSAYQW-CABCVRRESA-N 236.355 3.816 30 1 BHEF biogenic C=C(C(=O)O)[C@H]1C=C2C(C)=CCC[C@@]2(C)CC1 15207988 PPPHDQNXPNUKNK-DOMZBBRYSA-N 232.323 3.710 30 1 BHEF biogenic C=C(C)[C@H](C)N(O)c1ncc(Cl)cc1Cl 73196854 PFDVCIQKGPMISQ-ZETCQYMHSA-N 247.125 3.549 30 1 BHEF C=C1CCC[C@@H]2CC[C@H](C(C)(C)O)C[C@H]12 2356625731 XFSVWZZZIUIYHP-FRRDWIJNSA-N 208.345 3.530 30 1 BHEF ON=C(c1ccc2cccccc1-2)C(F)(F)F 2356840997 NDMYRYUNYRRRGK-UHFFFAOYSA-N 239.196 3.532 30 1 BHEF C=C1CC[C@H](C)C(=C)[C@@]12CC=C(C)C(=O)C2 13299384 HKEVEORRDSCJDT-ZUZCIYMTSA-N 216.324 3.824 30 1 BHEF biogenic C/C1=C/CC[C@]2(CO2)[C@@H]2CC(C)(C)[C@@H]2CC1 13383725 AURKDPLYMRHYAY-XGXDMWQASA-N 220.356 3.938 30 1 BHEF endogenous,in-man C=C1CC[C@H]2C(=O)[C@]2(C)CC[C@@H]2[C@@H]1CC2(C)C 238780534 SNVUDGMIDCJEIG-NFFDBFGFSA-N 232.367 3.984 30 1 BHEF C=C[C@]1(C)CC[C@@H](C(C)=C2C=CC(C)(C)O2)O1 2356471548 ZFMNPTVNDZBEHA-DZGCQCFKSA-N 234.339 3.749 30 1 BHEF CC1=CC(=O)[C@H]2C(C)=CO[C@@H]2CC(C)=CCC1 2356582327 FIRLDHBYAZBYTC-HUUCEWRRSA-N 232.323 3.551 30 1 BHEF C=C1CC[C@@H]2[C@@H](CC2(C)C)C(=C)C[C@H](O)C1 2356781205 ASLIKDGYUZGYOV-HZSPNIEDSA-N 220.356 3.696 30 1 BHEF C=C(C)[C@]1(O)CCC2=CCC[C@H](C)[C@]2(C)C1 2356388470 GXJHWPXQNVJRCC-QEJZJMRPSA-N 220.356 3.840 30 1 BHEF C=C1CCC=C[C@H](C)C(=O)[C@H]2[C@@H]1CC2(C)C 2356587592 QGLAKZJZPXRQJR-YNEHKIRRSA-N 218.340 3.760 30 1 BHEF CCC(=O)C=CC=CC=CC1=N[C@H](C)C=CC=C1 2356707413 WJIGOTVFVWHJRY-CQSZACIVSA-N 241.334 3.590 30 1 BHEF N#C[C@H](Cc1ccc[nH]1)c1ccc(Cl)cc1 169329398 XNTJXRQMWBYMKA-NSHDSACASA-N 230.698 3.518 30 1 BHEF CC(C)C1=CC[C@@]2(C)CCC[C@@H](C)[C@@]23O[C@@H]13 238738327 GPSWCNUIGKDSHT-BEAPCOKYSA-N 220.356 3.936 30 1 BHEF O=C1C(=Cc2ccncc2)CCCc2ccccc21 1857624246 IUSBYQMUTLJSFR-UHFFFAOYSA-N 249.313 3.684 30 1 BHEF CCCCCCCCCCCCCNC(=N)N 66114150 PERVCNVHHPNWIK-UHFFFAOYSA-N 241.423 3.780 30 1 BHEF CC(C)[C@@H]1CCC2=CC(=O)C[C@@H](C)[C@]2(C)C1 98081920 GQHRRBIPGXYEFT-JMSVASOKSA-N 220.356 3.984 30 1 BHEF CC1=Cc2cc(C)c(O)cc2[C@@H](C)CCC1=O 136087142 JICTVEXLDFIFAX-VIFPVBQESA-N 230.307 3.570 30 1 BHEF C=C(C)[C@H]1CC[C@@](C)(CCCC(C)=O)C(=O)C1 14694138 FCPUGTGXHMJFQH-DZGCQCFKSA-N 236.355 3.697 30 1 BHEF endogenous,in-man C=C(C)[C@@H]1CC[C@H](C)[C@]23CC[C@H](C)[C@@]2(C1)O3 33831022 RGRYQUWGSJPMMK-VQJWOFKYSA-N 220.356 3.936 30 1 BHEF endogenous,in-man C=C1CN2[C@@H]3CC[C@@H]2[C@@H]1[C@@H](c1ccc(C)cc1)C3 100846469 BMNNHOAPHMYHIH-VQHPVUNQSA-N 239.362 3.501 30 1 BHEF C=C(C)C=C[C@@H]1C(C)(C)CCC[C@]12CO2 2356461474 HQWBEAAZOBOEBO-OCCSQVGLSA-N 206.329 3.714 30 1 BHEF C=C1[C@H]2CC[C@@](C=O)(C2)[C@@]1(C)C1CCCC1 2356754649 IMYOTFHEEDHDJO-CFVMTHIKSA-N 218.340 3.738 30 1 BHEF C=C[C@](C)(O)CCC=C(C)CC(=O)CC(C)C 2356331603 LFCOUSYLSOXCHP-HNNXBMFYSA-N 238.371 3.655 30 1 BHEF C#CCSc1c(SC)cnc2ccccc12 103276377 NAYIOUOABFVPLU-UHFFFAOYSA-N 245.372 3.682 30 1 BHEF CC(C)[C@@H]1CC[C@@H]2C=CC(=O)CC[C@@]12C 2356405513 VRUKHLDBKYKEEU-FPMFFAJLSA-N 206.329 3.594 30 1 BHEF Cc1ccc(/C=N\c2ccc3nc(C)[nH]c3c2)cc1 28652001 GCBORUQPAAPZGJ-YVLHZVERSA-N 249.317 3.930 30 1 BHEF N#Cc1c(-c2cccnc2)sc2ccccc12 45348287 ZJHBTMORSUQBOA-UHFFFAOYSA-N 236.299 3.835 30 1 BHEF CC[C@H](CC[C@H]1OC1(C)C)c1ccccc1O 95574345 IXAAFWIAQVXXFS-BXUZGUMPSA-N 234.339 3.843 30 1 BHEF O=C1/C(=N/c2ccccc2)C=C(O)c2ccccc21 103561418 GAWWQRPONRAXSM-SAPNQHFASA-N 249.269 3.555 30 1 BHEF biogenic,in-vitro C=C[C@@H](C/C=C\CCCCC)OC(C)=O 214196562 UGBVCTPSHZAOJV-XPSMFNQNSA-N 210.317 3.631 30 1 BHEF CC1(C)CCC[C@]2(C)OC[C@@H]3O[C@]3(C)CC[C@H]12 13372456 KDMDYZZDZDVDQD-PAPYEOQZSA-N 238.371 3.539 30 1 BHEF biogenic CC(C)=C1C[C@@H]2O[C@@]2(C)CC/C=C(/C)CC1=O 15160632 DWGVRYKQVZGSIB-ZRDDCUNGSA-N 234.339 3.570 30 1 BHEF endogenous,in-man [N-]=[N+]=Nc1ccc2cc3ccc(N)cc3nc2c1 27900320 LXIDUWLQUWFBSZ-UHFFFAOYSA-N 235.250 3.912 30 1 BHEF C=C[C@]1(O)CC[C@@]2(C)[C@H](C)CC[C@@]2(C)[C@@H]1C 71317114 TUCSIUBDOHTKKQ-QTVXIADOSA-N 222.372 3.776 30 1 BHEF Cc1ccsc1/C=N\c1ccccc1O 95548112 JKFAGSPROSESBM-JYRVWZFOSA-N 217.293 3.513 30 1 BHEF C=C1CC[C@@H]2C(=O)[C@]2(C)CC[C@@H]2[C@@H]1CC2(C)C 2356612062 SNVUDGMIDCJEIG-BRXULGCHSA-N 232.367 3.984 30 1 BHEF [N-]=[N+]=NC1=CC(=O)c2cccc3cccc1c23 3957902 GCALUBHITRLFIK-UHFFFAOYSA-N 221.219 3.687 30 1 BHEF CC1=C2C(=O)c3c(C)coc3C[C@]2(C)CCC1 15221655 NKPGPFRAHOCSPY-HNNXBMFYSA-N 230.307 3.834 30 1 BHEF biogenic C=CCCCCC[C@H](O)C=CC#CC#CCCC 2356744453 IKJUXVQXXGIWRC-KRWDZBQOSA-N 244.378 3.847 30 1 BHEF C=C1C(=O)C=CC[C@H]1C=CC=CCCC 2356683165 JNFGTEZBSNFLIN-CYBMUJFWSA-N 202.297 3.600 30 1 BHEF CCCCCCCCn1oc2ccccc2c1=O 73162047 QNQKKJGEYQECBB-UHFFFAOYSA-N 247.338 3.955 30 1 BHEF C=CCCCCCC=C[C@H](O)C#CC#CC=CC 2356506413 BVVCAUWTOOENBU-QGZVFWFLSA-N 242.362 3.623 30 1 BHEF C=C1CC/C=C(/CO)CC[C@H]2[C@H]1CC2(C)C 13383771 MGIQTXDHQJGPEZ-DCOFTTSXSA-N 220.356 3.698 30 1 BHEF endogenous,in-man C=C1CCC=C1[C@@H]1[C@H]2CC[C@@]1(C)OC2(C)C 2356453086 NHPDMJIPAMOTCH-UMVBOHGHSA-N 218.340 3.857 30 1 BHEF CC(=O)C=C(C)Nc1cccc(C(F)(F)F)c1 2356574038 KXRHFRNOXDARAF-UHFFFAOYSA-N 243.228 3.610 30 1 BHEF C=C(C)[C@@H]1CC[C@]2(C)CCC[C@H](C)[C@@H]2[C@@H]1NC=O 14559225 SCDYNLKSAWFNMO-RBZJEDDUSA-N 249.398 3.530 30 1 BHEF biogenic C=C[C@@H](O)C#CC#CC/C=C/C=C/CCCCC 263638652 WJFSPRQRDLHNOE-LXGQMUQXSA-N 242.362 3.623 30 1 BHEF C=CC(C)(C)c1nc2ccc(Cl)c(C)c2[nH]1 587954491 XHHVAFPRPZQBJE-UHFFFAOYSA-N 234.730 3.988 30 1 BHEF CCCC/C=C\c1nc2ccc(C#N)cc2[nH]1 587966811 XWVXZFLOGLQKSX-WAYWQWQTSA-N 225.295 3.638 30 1 BHEF CC=CC#CC#CC=CC=CCCCCCC=O 2356630968 LTDHYWCQZMPBOF-UHFFFAOYSA-N 240.346 3.831 30 1 BHEF CC(=O)CCC=C(C)CC[C@@H]1[C@H](C=O)C1(C)C 2356581882 OWXSNWCHPCHSFO-KGLIPLIRSA-N 236.355 3.553 30 1 BHEF C=C(C(=O)OC)[C@@H]1CC=C2CCC[C@H](C)[C@]2(C)C1 2356737017 KMBKGQRONXQUPB-GHJWDPDVSA-N 248.366 3.878 30 1 BHEF O=C1C=CC(=C/C=C2\C=CNc3ccccc32)C=C1 13130071 ALUBPIBLGKPRQH-RIYZIHGNSA-N 247.297 3.631 30 3 BHEF C=C[C@@H]1C(=C)C(=O)Oc2ccc3ccccc3c21 84688566 AZRGZZKIVIRLJC-GFCCVEGCSA-N 236.270 3.585 30 1 BHEF CC(C)C/N=C1/C=C(O)C[C@@H](c2ccco2)C1 102345296 VFZOVHHCAMXOTK-NUFCYMDASA-N 233.311 3.696 30 1 BHEF C/C=C/C#CC#C/C=C/C=C/CC[C@@H](O)CCC 238758106 VOLHLYKNKKLHHO-YCFLLQHISA-N 242.362 3.623 30 1 BHEF CC1(C)CCC[C@@]2(C)C(=CO)C(=O)CC[C@@H]12 2356423267 SYMFXYDWORSDKZ-JSGCOSHPSA-N 222.328 3.624 30 1 BHEF C=C1CC[C@H]2O[C@@]2(C)CC[C@@H]2[C@H]1CC2(C)C 59588164 NVEQFIOZRFFVFW-JLNYLFASSA-N 220.356 3.936 30 1 BHEF biogenic,in-vitro Cc1ccc(/C=C2\CCC[C@@H](C)C2=O)cc1 71317437 STYHXCXZDYTYSE-HLVNSREUSA-N 214.308 3.768 30 1 BHEF C=C1C=C[C@@H](C(=C)C)CCC(=C)[C@@H](O)CC1 2356385786 ZUGVZVDNBZYDHU-CABCVRRESA-N 218.340 3.782 30 1 BHEF C=CCCCCCC=CCC#CC#C[C@@H](O)CC 2356634623 JAMBSETYMWNZBT-KRWDZBQOSA-N 244.378 3.847 30 1 BHEF C=C1C=C[C@H](C(C)C)CC(=O)C(=C)C=CC1 2356787989 WANYVSMIXZOJBS-AWEZNQCLSA-N 216.324 3.846 30 1 BHEF C=C1c2ccoc2[C@H]2O[C@H]3C[C@]1(C)[C@]2(C)[C@@H]3C 14657524 NEPKCVKVMXJTNL-ONWSUVHQSA-N 230.307 3.799 30 1 BHEF C=C[C@]1(C)[C@@H](O)CC(C(C)C)=C[C@H]1C(=C)C 15150122 VSSMKKGCUJTXDI-KKUMJFAQSA-N 220.356 3.718 30 1 BHEF biogenic CC1(C)CC(=O)C=C(c2ccc3[nH]ccc3c2)C1 12480199 RDXMMFIPOYJDQM-UHFFFAOYSA-N 239.318 3.940 30 3 BHEF C=C(C)[C@@H]1CC(=O)[C@@]2(C)CCC=C(C)[C@@H]2C1 33952864 NCURUZQWQGIRTM-YDHLFZDLSA-N 218.340 3.904 30 1 BHEF biogenic,in-vitro CCCCCCCCCNc1ncccn1 66111475 WZFUEWBAZYVDCW-UHFFFAOYSA-N 221.348 3.639 30 1 BHEF C[C@H]1CCCC(/C=N/c2ccc(O)cc2)=C1O 101467791 JAUOQDBSYZYNSH-CNOAHFENSA-N 231.295 3.727 30 1 BHEF C/C(=N/c1ccc(Cl)c(Cl)c1)N(C)C 101726090 UXZSKGRFAGMCIR-QPEQYQDCSA-N 231.126 3.605 30 1 BHEF C[C@@H]1CCC[C@]23O[C@@H]2C[C@@H]2[C@H](C2(C)C)[C@@]13C 2356331290 WDIRTEJWYGLLSB-HTKHVQBFSA-N 220.356 3.626 30 1 BHEF C=C1C[C@@H]2[C@H](C=C1C)[C@H](C(C)C)CC[C@]2(C)O 2356473249 YXRUPFKBLNUVSR-JJXSEGSLSA-N 234.383 3.942 30 1 BHEF C=C(C(=O)OC)[C@@H]1C=CC2=CCC[C@@H](C)[C@@]2(C)C1 2356504268 JFJZCPCBEGYBHN-AXAPSJFSSA-N 246.350 3.654 30 1 BHEF C=C(C)[C@@H]1CC[C@]2(C)OC(=O)C(=C(C)C)C[C@@H]12 13384242 ZZEKLJSJUUZCFB-WHOFXGATSA-N 234.339 3.631 30 1 BHEF biogenic,in-vitro C#C/C=C\C/C=C/[C@@H]1CC[C@@H](CC)[C@@H]2CCCN12 238747257 YASMBDUEGFXWLE-BCJVNINHSA-N 243.394 3.775 30 1 BHEF Cc1[nH]c2cc(Cl)c(F)cc2c1CCC#N 587630175 GXRPTOFRVABWPK-UHFFFAOYSA-N 236.677 3.725 30 1 BHEF C=C(C)[C@]1(O)CC[C@H](C)[C@@H]2CCC(C)=C[C@@H]21 2356615386 CUVJTROTJRHROZ-ZQDZILKHSA-N 220.356 3.696 30 1 BHEF C=C(C)C1=C2CCC(C(=O)O)=CC[C@@]2(C)CC1 13432121 XIDXTKPMMNRXAU-HNNXBMFYSA-N 232.323 3.854 30 1 BHEF biogenic C=C1CCC[C@@H]2CC[C@@H](C(C)(C)O)C[C@]12C 15201073 RSXHKEPXFZWLQK-UMVBOHGHSA-N 222.372 3.920 30 1 BHEF biogenic C=CC(C)(C)c1nc2ccc3c(c2[nH]1)CCCC3 587955721 USFBVRDWWYTLBE-UHFFFAOYSA-N 240.350 3.905 30 1 BHEF C=C1CC[C@@H]2C(=O)[C@]2(C)CC[C@H]2[C@@H]1CC2(C)C 2356612063 SNVUDGMIDCJEIG-OQMKEHIESA-N 232.367 3.984 30 1 BHEF C=C(C(=O)OC)[C@@H]1CC=C2CCC[C@H](C)[C@@]2(C)C1 2356737019 KMBKGQRONXQUPB-NORZTCDRSA-N 248.366 3.878 30 1 BHEF CC1=CO[C@H]2C/C(C)=C/CC/C(C)=C\C(=O)[C@@H]12 70454140 FIRLDHBYAZBYTC-QHWOMCTCSA-N 232.323 3.551 30 1 BHEF biogenic,in-vitro CC(=O)C(C)=CC=CC=Cc1ccccc1 2356518061 DLEPTASFXXJVDU-UHFFFAOYSA-N 212.292 3.791 30 1 BHEF C=C1[C@@H]2[C@@H](C[C@H]1O)C(=C)CCC[C@@H]2C(C)C 2356379070 HJTLHPGMPPWULO-BARDWOONSA-N 220.356 3.552 30 1 BHEF C=C1C=CC[C@@]2(C)CC[C@@H](C(=C)C(=O)O)C[C@H]12 15207982 NVSFCZAJDYRQHL-NFAWXSAZSA-N 232.323 3.566 30 1 BHEF biogenic CC1=CC(=O)[C@H]2[C@@H]3[C@@H]1[C@]2(C)CCCC3(C)C 103186105 KTPOZFYJWLGJGH-OSFYFWSMSA-N 218.340 3.594 30 1 BHEF in-man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c1ccc(-c2nc3cc(C#N)ccc3[nH]2)cc1 586880202 DVEYIRUGNNABDK-UHFFFAOYSA-N 245.285 3.745 30 1 BHEF C=C1CCC=C(C)CC[C@@H]2[C@@H]1C[C@@]2(C)CO 2356329953 DFMBJBXEHZSTJQ-KFWWJZLASA-N 220.356 3.698 30 1 BHEF COc1cc(C#N)ccc1Oc1ccccc1C 35803818 VDMHQBDHJWOOTF-UHFFFAOYSA-N 239.274 3.668 30 1 BHEF in-vivo C=CCc1cc(OCCC)ccc1OCC 103287534 FWYPLMMBBUHUAZ-UHFFFAOYSA-N 220.312 3.603 30 1 BHEF C=C(C)C=C[C@]12O[C@]1(C)CC(C)(C)[C@@H]1C[C@@H]12 2356328827 JEWBTTPLZBTNTA-AYRXBEOTSA-N 218.340 3.712 30 1 BHEF C=C1CCC(=O)[C@]2(C)CC[C@H](C(C)C)C[C@H]12 2356525610 VFGDFTMUULURTA-GZBFAFLISA-N 220.356 3.984 30 1 BHEF C=C[C@]1(C)CC[C@H](O)[C@@](C)(CCC=C(C)C)O1 15160368 QHQOBRMEKGKJNF-RRFJBIMHSA-N 238.371 3.608 30 1 BHEF biogenic CC(=O)C=CC1=C(C)CC[C@H](C)C1(C)C 2356663952 BGKCUGPVLVNPSG-NSHDSACASA-N 206.329 3.904 30 1 BHEF CC1=C2C[C@@H]3CC[C@H](C)[C@@]2(CC1=O)C3(C)C 14637901 GIGKXOAUYMWORB-CCUNJIBTSA-N 218.340 3.738 30 1 BHEF in-vitro CCCCCCCCC[C@@H]1CC=CC(=O)O1 59305259 CRCMEDPBLYDLQH-CYBMUJFWSA-N 224.344 3.999 30 1 BHEF C=C1CC[C@@]2(C[C@H]1O)[C@H](C)CC[C@@H]2C(C)C 1857631697 CQZFMFFAWNQJAM-KBUPBQIOSA-N 222.372 3.776 30 1 BHEF C=C1C=C[C@@H](C(C)C)C[C@@H](O)C(=C)CCC1 2356406879 JUDKJOAKWBVHBX-HUUCEWRRSA-N 220.356 3.862 30 1 BHEF C=C1CCC[C@]2(C)[C@H](O)C[C@H](C(C)C)C[C@H]12 2356447154 WOKMOHTUPBAZGC-TUVASFSCSA-N 222.372 3.776 30 1 BHEF C=CCCCCCC=CCC#C[C@H](O)C=C 2356729904 QZLDIWJZTTVYKZ-OAHLLOKOSA-N 218.340 3.620 30 1 BHEF C/C1=C/CC[C@@H](C=O)[C@H]2CC(C)(C)[C@@H]2CC1 13383868 VLWNRFXSKLVVEB-CHVGBIPESA-N 220.356 3.984 30 1 BHEF endogenous,in-man C=C1CC[C@H](O)[C@]2(C)CC[C@H](C=C(C)C)[C@H]12 14618394 CZFKRGCIADMIRY-QPSCCSFWSA-N 220.356 3.696 30 1 BHEF biogenic C=C1C=C[C@@]2(C[C@@H]1O)[C@H](C)CC[C@@H]2C(C)C 95918646 QLUSLBMNADHHII-APIJFGDWSA-N 220.356 3.552 30 1 BHEF biogenic,in-vitro C=C[C@@]1(C)[C@H](O)CC(=C(C)C)C[C@@H]1C(=C)C 111959860 NXYYOMZNPGACRA-RBSFLKMASA-N 220.356 3.862 30 1 BHEF C[C@@H]1CCC(=O)C2=CC[C@@H]3[C@@H](C3(C)C)[C@]21C 145477773 SFVXYZSILFBAPH-RNKJKDHYSA-N 218.340 3.594 30 1 BHEF C=C1CCC[C@@H]2CC(=O)C(=C(C)C)C[C@H]12 2356378113 WKMJPPKTUOCJJR-DGCLKSJQSA-N 204.313 3.658 30 1 BHEF C=C1CC[C@H](C)C(C)(C)[C@H]1C=CC(C)=O 2356534563 MVPDTCQYNRKWJA-AAEUAGOBSA-N 206.329 3.760 30 1 BHEF C=C(C)[C@@H]1CC[C@H]2C[C@@H](O)C[C@@H](C)[C@]2(C)C1 103290326 VHARGWWXMUPASZ-MRLBHPIUSA-N 222.372 3.776 30 1 BHEF C=C1CCC[C@]2(C)CC[C@H](C(C)C)[C@H](O)[C@@H]12 238753859 MSJJKJCIFIGTJY-APIJFGDWSA-N 222.372 3.776 30 1 BHEF endogenous,in-man CCCCC=CC#CC#CCCCCCC(=O)O 2356492259 ZYKRBUYXWXJLBD-UHFFFAOYSA-N 246.350 3.775 30 1 BHEF C=C(C)[C@@H]1CC[C@H](C)[C@@H]2CC[C@@](C)(O)[C@@H]2C1 2356567818 BEWUYYKPXKLMEK-XPABHHOTSA-N 222.372 3.776 30 1 BHEF C=C1O[C@@H](O)C=C1CC[C@H]1C(=C)C=CCC1(C)C 2356807320 WGEYPQJERFBBPB-LSDHHAIUSA-N 246.350 3.714 30 1 BHEF CC1=C2C(=O)[C@H]3CC[C@@H](C)[C@]2(CC1)C3(C)C 34597596 JAWSHISYWRRQQQ-HFAKWTLXSA-N 218.340 3.738 30 1 BHEF biogenic,in-vitro CCc1ccc(/C=C/C(=O)c2ccsc2)o1 98084220 SCSVBWGGUBEXOY-AATRIKPKSA-N 232.304 3.800 30 1 BHEF C=C1CC[C@H](C(C)C)C[C@@H]2[C@@H]1CC[C@@]2(C)O 15265265 PFCPFINCEOMQFY-GBJTYRQASA-N 222.372 3.776 30 1 BHEF biogenic C=C1C(=O)C[C@@H]2[C@@H]1CC[C@]1(C)CCCC(=C)[C@H]21 2356475097 OINFTKHXNVCYLH-XOUADPBQSA-N 230.351 3.904 30 1 BHEF C=C(C)[C@@H]1C[C@H](O)[C@]2(C)CCCC(=C)[C@@H]2C1 2356585767 BFMDGLARCCRBDW-ZQDZILKHSA-N 220.356 3.696 30 1 BHEF C=C(C(=O)O)[C@H]1CC[C@]2(C)C=CC=C(C)[C@@H]2C1 15207976 WUAXEEZNSBQKSA-YDHLFZDLSA-N 232.323 3.566 30 1 BHEF endogenous,in-man C=C1CN2[C@H]3CC[C@@H]2[C@H]1[C@H](c1ccc(C)cc1)C3 101090375 BMNNHOAPHMYHIH-MWDXBVQZSA-N 239.362 3.501 30 1 BHEF C=C1[C@H](C(C)C)CC=C(C)[C@@H]2[C@H](O)C[C@@H](C)[C@@H]12 2356613151 BHSXLKWHFWXXQE-MBEZOWKRSA-N 234.383 3.798 30 1 BHEF C=C1CC[C@H](C(C)C)C[C@H]2C(C)=CC[C@]12O 2356717835 FUIREXPFHXOXGQ-KKUMJFAQSA-N 220.356 3.696 30 1 BHEF N#Cc1ccc2cc(-c3cccnc3)ccc2c1 13674459 BRNSTMOAGOETDI-UHFFFAOYSA-N 230.270 3.773 30 1 BHEF in-vivo C/C(=C\CC(C)C)C(=O)c1ccccc1 40762991 GZYVEZIBEBPNOS-ZRDIBKRKSA-N 202.297 3.862 30 1 BHEF C=CCCCCC/C=C\[C@H](O)C#CC#C/C=C\C 238777596 BVVCAUWTOOENBU-ZYWSWSITSA-N 242.362 3.623 30 1 BHEF C=C(C)[C@@H]1CC[C@]2(C)CCC=C(C(=O)OC)[C@H]2C1 2356429817 IWKUFNFEQJRATO-XPKDYRNWSA-N 248.366 3.878 30 1 BHEF C=C[C@]1(C)CC[C@@H](C(=C)CO)C[C@H]1C(=C)C 35822835 KNLJFYVIVVSUNJ-QLFBSQMISA-N 220.356 3.720 30 1 BHEF CC(C)CC(=O)C(O)=Cc1c[nH]c2ccccc12 2356814649 CJYKRFPVCQHCSJ-UHFFFAOYSA-N 243.306 3.682 30 1 BHEF C=C1CCC[C@@]2(C)CC[C@@H](C(C)C)[C@@H](O)[C@@H]12 15209486 MSJJKJCIFIGTJY-YJNKXOJESA-N 222.372 3.776 30 1 BHEF endogenous,in-man N#Cc1ccccc1/C=C/c1ccccc1 34574129 USLPZCOPYRKTGY-ZHACJKMWSA-N 205.260 3.729 30 1 BHEF C=C[C@@]1(C)CC[C@H](C(C)(C)O)C[C@H]1C(=C)C 238735724 GFJIQNADMLPFOW-YDHLFZDLSA-N 222.372 3.942 30 1 BHEF C=C1[C@H]2CC[C@@H](C2)[C@@]1(C)CC=C[C@@H](C)C(=O)O 2356530663 IHMZZHKCEDANPL-HTUGSXCWSA-N 234.339 3.646 30 1 BHEF C=CC[C@@H](CC/C(C)=C/C=C/CCCO)OC 13473239 HUWREOAELWRMFF-KCQUFVDESA-N 238.371 3.633 30 1 BHEF C=C1COC=C2C(C)=CC[C@@H]3[C@@H]([C@H]12)C3(C)C 14659175 MPCQKDYYHFZZAW-MCIONIFRSA-N 216.324 3.695 30 1 BHEF biogenic C[C@H]1CC[C@@H]2C(C)(C)C[C@@]3(C)C(=O)C=C[C@@]123 14708968 YMOJPIGWKYEAQC-IDTSFGKNSA-N 218.340 3.594 30 1 BHEF C=C(C)[C@@H]1CC[C@]2(C=C(C)[C@H](O)C[C@H]2C)C1 2356465207 KEJDOISIOSPWEF-TUVASFSCSA-N 220.356 3.696 30 1 BHEF CC1=CC(=O)C2=C(C)CC[C@@H]3[C@H]([C@H]12)C3(C)C 14856251 ITPIONJPPNGUJE-LERXQTSPSA-N 216.324 3.514 30 1 BHEF biogenic CC1=CC[C@@H](C2=CC[C@@H](C=O)CC2)C1(C)C 64624715 HPLBAXHYNYHWIT-OCCSQVGLSA-N 218.340 3.904 30 1 BHEF in-vitro C=C1C=C[C@H]([C@@H](C)[C@@H](O)CC=C(C)C)CC1 2356347148 COLXZUVHIZOLPD-ILXRZTDVSA-N 220.356 3.862 30 1 BHEF C=C1CC[C@H](O)C(=C)C=C[C@H](C(C)C)CC1 2356455758 HHSHDKYRXLFJMS-CABCVRRESA-N 220.356 3.862 30 1 BHEF C=C(C)[C@@H]1C(=O)C=C(C)[C@@H]2CC[C@H](C)C[C@H]21 14918221 SIZHTHJIDBXZNM-DNVSUFBTSA-N 218.340 3.760 30 1 BHEF biogenic CC1(C)c2ccoc2C[C@H]2C=C(CS)CC[C@@H]21 15222153 PKAGIPGFVIAUKV-NEPJUHHUSA-N 248.391 3.996 30 1 BHEF biogenic C=CCCCCC[C@@H]1O[C@@H]1CC#CC#C/C=C\C 15269781 YSDPVCLBQZDPNI-BALLFRDNSA-N 242.362 3.863 30 1 BHEF C/C=C/C=C/C=C/C=C/C=C/C=C/C(C)=O 58649352 IKKRHADMXZRWGK-IDFWPVMJSA-N 214.308 3.933 30 1 BHEF in-vitro CC1(C)O[C@@H]1CC[C@@]1(C)[C@@H]2C[C@H]3[C@@H](C2)[C@]31C 238771870 GFEGJYMPIPGGTE-GFCMYALRSA-N 220.356 3.626 30 1 BHEF C=C[C@]1(C)C=C2OC(=O)C(C)=C2C[C@@H]1C(=C)C 2356794782 LKYACQYLIXCXCR-IUODEOHRSA-N 230.307 3.532 30 1 BHEF C=CCN1CCC[C@@H](/C=C/c2ccccc2)C1 29323420 LFYDIFWLHBZMPF-OFAQMXQXSA-N 227.351 3.598 30 1 BHEF C=C(C)[C@@H]1CC[C@@]2(O)CCC[C@H](C)[C@@]2(C)C1 85725629 YFAPBKDZQLGGMM-YJNKXOJESA-N 222.372 3.920 30 1 BHEF CC1=CC(=O)[C@H]2[C@H]3[C@@H]1[C@@]2(C)CCCC3(C)C 100826393 KTPOZFYJWLGJGH-QVHKTLOISA-N 218.340 3.594 30 1 BHEF endogenous,in-man C=C1[C@H]2CC[C@H](C2)[C@]1(C)CC/C=C(/C)C(=O)O 14690721 PMCPDNGTLRPFQQ-NUHMSGJRSA-N 234.339 3.790 30 1 BHEF endogenous,in-man C=C1CC[C@H](O)C(C)=CC[C@@H]2[C@@H]1CC2(C)C 256167832 DWUYGFWOANEJRE-MCIONIFRSA-N 220.356 3.696 30 1 BHEF C=C(C)C=C[C@]12O[C@]1(C)CC(C)(C)[C@H]1C[C@H]12 2356328828 JEWBTTPLZBTNTA-CTHBEMJXSA-N 218.340 3.712 30 1 BHEF C=C1CC[C@@H]2[C@H](C)CC[C@@H](C=C(C)CO)[C@H]12 2356395088 KTJOVZDBQRSACR-BEAPCOKYSA-N 220.356 3.554 30 1 BHEF CC(C)=CC(=O)C1=C(c2ccoc2)CC[C@H]1C 898802 UFRHZDWJDMQBIC-LLVKDONJSA-N 230.307 3.998 30 1 BHEF biogenic C=C1C[C@H]2O[C@]2(C)CC[C@H]2[C@@H]1CC2(C)C 9302325 AMTSLHRSERHBCF-GFQSEFKGSA-N 206.329 3.546 30 1 BHEF CCCCCCCc1ccc(C2=NCCO2)cc1 1772602184 MOBRBHDLZDJEQY-UHFFFAOYSA-N 245.366 3.976 30 1 BHEF C=C(C)[C@@H]1CC[C@@](C)(c2coc(C)c2)O1 2356518969 IZZDJZPSWDSRPI-STQMWFEESA-N 206.285 3.558 30 1 BHEF CCCCCCC/C=C\CC#CC#C/C=C\CO 49778031 KJUXJIQGIJBGRT-APAMCJOLSA-N 244.378 3.849 30 1 BHEF CSCCCCCCCCC=NO 2356347056 AOYJXBVIPWAMOG-UHFFFAOYSA-N 203.351 3.540 30 1 BHEF C=C(C)[C@@H]1C[C@]2(C)[C@H](C)CCC[C@@H]2CC1=O 2356421737 SBYYGPVDZLNUAX-GUIRCDHDSA-N 220.356 3.984 30 1 BHEF C=C1C(=O)O[C@H]2CC(C)=CCCC(C)=CC[C@@H]12 2356479056 BBMLTTOFEBDQIR-KBPBESRZSA-N 232.323 3.551 30 1 BHEF C=C(C)[C@@H]1CC[C@](C)(c2ccc(C)o2)O1 14723371 CCGNVBQNOBXWAI-WCQYABFASA-N 206.285 3.558 30 1 BHEF biogenic C=C1CCC[C@]2(C)CC[C@@H](C(C)C)[C@H](NC=O)[C@@H]12 140195494 URMSVRXRZNJMON-XUWVNRHRSA-N 249.398 3.530 30 1 BHEF C=C(C)[C@@H]1CC[C@@]1(C)CCOC(=O)CC(C)C 230620151 YERQGDXMKGZPCZ-ZFWWWQNUSA-N 238.371 3.958 30 1 BHEF C=C1[C@H](C(C)C)CC=C(C)[C@@H]2[C@@H](O)C[C@H](C)[C@H]12 238756578 BHSXLKWHFWXXQE-AFHWFKKNSA-N 234.383 3.798 30 1 BHEF C=C(C)[C@@H]1CC[C@]2(C)CC=C(CO)CC[C@@H]12 14956126 AUASPLXQOHHJLG-KKUMJFAQSA-N 220.356 3.698 30 1 BHEF biogenic C=C(C)[C@@H]1CC[C@@H](C)[C@@H]2CC[C@@](C)(O)[C@H]2C1 238756981 BEWUYYKPXKLMEK-NIFZNCRKSA-N 222.372 3.776 30 1 BHEF C=C1CC[C@@H]2[C@H]([C@@H]3[C@@](C)(O)CC[C@@]13C)C2(C)C 2356570503 KMJLGCYDCCCRHH-KLUNEYRZSA-N 234.383 3.776 30 1 BHEF C=C(C)[C@H]1C[C@]2(C)C(=C[C@H]1O)CCC[C@H]2C 15200625 SYNWLDWKTARJOJ-NGFQHRJXSA-N 220.356 3.696 30 1 BHEF C=C(CO)[C@H]1CC[C@]2(C)CCCC(C)=C2C1 15206951 ITRHZWKEZJYJQO-ZFWWWQNUSA-N 220.356 3.842 30 1 BHEF biogenic C=C1CC=C[C@]2(C)Cc3occ(C)c3C[C@H]12 33832289 BZQURGSQMBBPRU-UKRRQHHQSA-N 214.308 3.825 30 1 BHEF biogenic,in-vitro C=C(C)[C@@H]1CCCC2=C3[C@@H](C1)[C@@H](C)C[C@H]3OC2=O 59585842 CARIPAAQQKWUCB-UZGDPCLZSA-N 246.350 3.631 30 1 BHEF biogenic,in-vitro O=C1C=C2CCCC[C@H]2[C@@H]1c1ccsc1 103288432 VVYFABOPTXEYMZ-YPMHNXCESA-N 218.321 3.531 30 1 BHEF O=C(C/C=N/c1cccc(F)c1)c1cccs1 169688440 GDIGEJBUPDZKNJ-VIZOYTHASA-N 247.294 3.863 30 1 BHEF C=CCC(=O)c1coc2ccc(Cl)cc12 587275517 BEYFMCHFVPZQEY-UHFFFAOYSA-N 220.655 3.845 30 1 BHEF C=CC=CCCCCCCCCC#CC#CCO 2356306797 JQXJJRWAZOWYID-UHFFFAOYSA-N 244.378 3.849 30 1 BHEF CC1(C)c2occc2C[C@H]2C=C(CS)CC[C@@H]21 2356652135 PZPGYUDHVYOLGK-OLZOCXBDSA-N 248.391 3.996 30 1 BHEF CC(=O)C=CC1=C(C)CC[C@@H](C)C1(C)C 2356663951 BGKCUGPVLVNPSG-LLVKDONJSA-N 206.329 3.904 30 1 BHEF C=CCOc1ccccc1C(=C)/C=C/C 69482178 NNZPVLUHKSVBET-XBXARRHUSA-N 200.281 3.841 30 1 BHEF biogenic,in-vitro C=C(C)[C@@H]1CC[C@H](C)[C@]23CC[C@H](C)[C@]2(C1)O3 100778979 RGRYQUWGSJPMMK-AHDPXTMNSA-N 220.356 3.936 30 1 BHEF endogenous,in-man C=CCCCCCC=CCC#CC#C[C@@H](O)C=C 2356511884 JRLHSTVTOOELAF-KRWDZBQOSA-N 242.362 3.623 30 1 BHEF C=C1CCC[C@]1(C)[C@@]1(C)CC=C(CO)CC1 15120122 SGASIZRGMDDXOM-GJZGRUSLSA-N 220.356 3.842 30 1 BHEF biogenic C=C(C)[C@@H]1CC[C@]2(C)C(=C(C)CC[C@H]2O)C1 238780012 FNPFLRZHHDQZCG-BPLDGKMQSA-N 220.356 3.840 30 1 BHEF C=C(C)C[C@H](O)C[C@H](C)c1ccc(C)cc1O 2356521869 OVDFVUUIIKUOSJ-STQMWFEESA-N 234.339 3.521 30 1 BHEF C=C(C)C[C@H](O)C[C@H](C)c1ccc(C)cc1 2356402655 MUXJDCRAAKAIMK-ZFWWWQNUSA-N 218.340 3.816 30 1 BHEF C=C(C)C[C@@H](O)C[C@H](C)c1ccc(C)cc1O 2356521868 OVDFVUUIIKUOSJ-QWHCGFSZSA-N 234.339 3.521 30 1 BHEF C=C(C(=O)O)[C@@H]1CC[C@@H](C)[C@@H]2CCC(C)=C2C1 15264401 HEIJYTOSZVGQPT-WQAKAFBOSA-N 234.339 3.790 30 1 BHEF biogenic C=C[C@@]1(C)CC/C=C(\C)CC[C@@H](C(C)(C)O)O1 169333775 LWYUSWLRBKNRLB-RKIJOGDYSA-N 238.371 3.608 30 1 BHEF C=C1CC[C@H](C(C)C)[C@H]2C=C(C)C[C@H](O)[C@H]12 238774796 WFHKESPONQXPGD-APIJFGDWSA-N 220.356 3.552 30 1 BHEF C=C1[C@H](O)CC(C(C)C)=C[C@@H]2[C@@H](C)CC[C@@H]12 2356607477 WFAWAGJRGJHCLR-BSLXNSKLSA-N 220.356 3.552 30 1 BHEF C=C[C@]1(C)CC[C@H]([C@@H](C)c2ccc(C)o2)O1 13432719 RZQBBGYIEUNQIV-IACUBPJLSA-N 220.312 3.815 30 1 BHEF biogenic CCC1=C(c2ccc(F)c(F)c2)/C(=N/O)CC1 35855516 QEVVYQTWYAPCTR-FOWTUZBSSA-N 237.249 3.752 30 1 BHEF CC1=C2[C@H](CC1=O)[C@@H](C)CC[C@H]1[C@@H]2C1(C)C 166689904 ZEEUIOBUKGZKPS-ZMZKGCHWSA-N 218.340 3.594 30 1 BHEF C=CCCCOc1cc(-c2ccccc2)no1 169344195 GJHXMNUNOBQVFL-UHFFFAOYSA-N 229.279 3.687 30 1 BHEF CC(C)=C1C[C@H]2[C@](C)(CC1=O)C[C@@H]1C[C@]21C 238752614 NLBIJGCDYLISQQ-KJEVXHAQSA-N 218.340 3.738 30 1 BHEF C/C=C\C(=O)c1coc2ccc(Cl)cc12 587276434 OWYPLHNZEZUPMY-IHWYPQMZSA-N 220.655 3.845 30 1 BHEF CCC(C)(C)c1[nH]c2cccc(F)c2c1C#N 587635127 HDPWIDSZJSWZAL-UHFFFAOYSA-N 230.286 3.866 30 1 BHEF C=C(C)[C@H]1CC[C@@]2(C)CCC[C@@](C)(NC=O)[C@@H]2C1 13352077 ZFTMEUDAZINSIJ-ZJIFWQFVSA-N 249.398 3.674 30 1 BHEF C=C1CC[C@H]2C(C)(C)CCC[C@]2(C)[C@H]1C=O 15148100 CYNSNODFYUHSCP-KCQAQPDRSA-N 220.356 3.984 30 1 BHEF C=C(C)[C@@H]1C[C@H](O)[C@@]2(C)CCC=C(C)[C@@H]2C1 15206864 IVRQVIHZMLFDBK-AJNGGQMLSA-N 220.356 3.696 30 1 BHEF biogenic,in-vitro C=C(C)[C@@H]1CCC(C(=O)O)=C2CC[C@@H](C)[C@@H]2C1 15264326 JNYAUBXATZXFIU-GYSYKLTISA-N 234.339 3.790 30 1 BHEF biogenic C=C(C(=O)O)[C@@H]1CC[C@@]2(C)C=CC=C(C)[C@H]2C1 31169058 WUAXEEZNSBQKSA-UMVBOHGHSA-N 232.323 3.566 30 1 BHEF endogenous,in-man C=C1C(=O)O[C@H](c2ccc3ccccc3c2)[C@H]1C 64539385 MAZLWSOJDBWWHV-BONVTDFDSA-N 238.286 3.630 30 1 BHEF C=C1CCC=C(C)CC[C@@H]2[C@H]1[C@H](O)C2(C)C 2356408371 DNWWLTIHFSGXHB-RDBSUJKOSA-N 220.356 3.696 30 1 BHEF C=C(C)[C@@H]1CC[C@@H](C)[C@]12C=CC(=O)CC2 145792738 ZYOSTGRSFWOFBC-KWCYVHTRSA-N 204.313 3.514 30 1 BHEF CCC(=N\O)/C(C)=C/c1ccc(F)c(C)c1 169276500 WRHHATMLNUQQTB-MZRBSKCNSA-N 221.275 3.778 30 1 BHEF C=CC(C)(C)c1nc2cccc(Cl)c2[nH]1 587954340 PLMUYTUPQCQUOY-UHFFFAOYSA-N 220.703 3.680 30 1 BHEF CC1=CCc2c(C)coc2C(=O)C(C)=CCC1 2356383275 HPDPXMXGOKJKHX-UHFFFAOYSA-N 230.307 4.000 30 1 BHEF O=C(C/C=N/c1ccc(F)cc1F)c1ccco1 169693774 CAAWWEAQIVAYNV-OMCISZLKSA-N 249.216 3.533 30 1 BHEF C=C1CCCC(C)(C)[C@H]1/C=C/C(C)=C\C(=O)O 238743959 NPLQKYGNQZPTFE-PNARZHDTSA-N 234.339 3.956 30 1 BHEF CC(C)CC(=O)c1coc2cc(C#N)ccc12 587278844 MNNORFPYVWCQRV-UHFFFAOYSA-N 227.263 3.533 30 1 BHEF CCC(=O)CC1=CCC(=C(C)C)C(=O)C[C@@H]1C 59778476 JXBMAOPQNNTXPM-NSHDSACASA-N 234.339 3.617 30 1 BHEF CC[C@H](C)c1[nH]c2cc(F)ccc2c1C#N 587635705 PJKSOKYXSMPEON-QMMMGPOBSA-N 216.259 3.692 30 1 BHEF C=C[C@]1(C)CC/C=C(/C)CC[C@@H](C(C)(C)O)O1 49792902 LWYUSWLRBKNRLB-UGQYRENISA-N 238.371 3.608 30 1 BHEF C=C(C)/C=C/c1ccc2[nH]cc(C/C=N\O)c2c1 169337066 AXIGXWXFKXWZDN-LRZMSQBSSA-N 240.306 3.760 30 1 BHEF C=C(C)[C@]1(O)CCC2=CCC[C@H](C)[C@@]2(C)C1 238737529 GXJHWPXQNVJRCC-CFVMTHIKSA-N 220.356 3.840 30 1 BHEF C=C1CCC(=O)[C@]2(C)CC[C@@H](C(C)C)C[C@H]12 2356525611 VFGDFTMUULURTA-UMVBOHGHSA-N 220.356 3.984 30 1 BHEF CC1=CCCC(=O)C=C[C@H]2[C@@H](CC1)C2(C)C 2356735093 WCZCSOXIWRFHNZ-KGLIPLIRSA-N 218.340 3.904 30 1 BHEF C=C(C)CC(=O)OC[C@@H]1C[C@@H](C(=C)C)C1(C)C 14659689 DYIOGDMFNJSASB-STQMWFEESA-N 236.355 3.734 30 1 BHEF biogenic C=C(C)[C@@H]1CC[C@@]2(C)OC(=O)C(=C(C)C)C[C@@H]12 14921435 ZZEKLJSJUUZCFB-CORIIIEPSA-N 234.339 3.631 30 1 BHEF biogenic C=C1CC[C@@H]2C[C@@H]3[C@@H](C)CC[C@]13OC2(C)C 85692380 YZUVVKAQOQBOJE-ZGFBFQLVSA-N 220.356 3.936 30 1 BHEF CCOC[C@H]1CC=C(C(C)C)[C@]12C=CC(=O)CC2 653799312 JAQAWIISOCJQFT-CJNGLKHVSA-N 248.366 3.531 30 1 BHEF C=C(C)[C@@H]1C[C@@]2(C)C(=CC1=O)C=CC[C@H]2C 2356602777 LJZMUACYVPDSPJ-OSAQELSMSA-N 216.324 3.680 30 1 BHEF C=C(C)[C@@H]1CC[C@]2(C)CCC[C@@H](C)[C@H]2[C@@H]1O 85758632 QZOCRPIQQKLQHN-FQKPHLNHSA-N 222.372 3.776 30 1 BHEF biogenic,in-vitro C=C(C)[C@@H]1CC[C@@H](C)[C@@H]2CCC(C(=O)O)=C[C@@H]21 238739631 JYYWWQXMXXNJSB-VZZFWQQMSA-N 234.339 3.646 30 1 BHEF C#Cc1ccc(-c2ccc(C#CC)s2)s1 5158122 DZJGBWIIRBMCFS-UHFFFAOYSA-N 228.341 3.829 30 1 BHEF endogenous,in-man C=CC[C@@H]1c2ccccc2CC[C@H]1NCCC 13826012 BZQXDYYMAHDTFU-HZPDHXFCSA-N 229.367 3.661 30 1 BHEF CC(C)=C1C[C@@]2(C)C(=C(O)C1=O)C=CC[C@@H]2C 200842694 IRTXMQLWUFCOHH-ZUZCIYMTSA-N 232.323 3.710 30 1 BHEF C=C1CCC(=O)C(C)=CC[C@H]2[C@H]1CC2(C)C 2356329143 UVPVOJNEDSOAHT-STQMWFEESA-N 218.340 3.904 30 1 BHEF CC1=CC=C[C@@]2(C)C[C@@H]2C(=C(C)C)C(=O)C1 2356550849 LKVXZMOEBUURAJ-DOMZBBRYSA-N 216.324 3.824 30 1 BHEF C=CCCCCC/C=C\[C@@H](O)C#CC#C/C=C/C 40379384 BVVCAUWTOOENBU-LYBYXUKMSA-N 242.362 3.623 30 1 BHEF C=CCc1cccc(OCC)c1OCCCC 103284791 ZRAFWXJKOHFJCE-UHFFFAOYSA-N 234.339 3.993 30 1 BHEF C=C1CCC[C@]2(C)CC[C@H](C(C)C)C(=O)[C@@H]12 157274670 TYQALBNCJWAILN-UMVBOHGHSA-N 220.356 3.984 30 1 BHEF CC(=Nc1ccc(Cl)cc1)C1=C(O)OCC1 299812436 OPIZSJZELTURHA-UHFFFAOYSA-N 237.686 3.622 30 1 BHEF CC1=C[C@@H]2[C@H](CCC(C)=CCC1)[C@]2(C)C=O 2356449520 PLERVCQIUZNKMR-ZNMIVQPWSA-N 218.340 3.904 30 1 BHEF C=C1CCC(=O)[C@@H](C)CC[C@H]2[C@@H]1CC2(C)C 169294277 GWBJPNAWYMBRLQ-XQQFMLRXSA-N 220.356 3.984 30 1 BHEF C=C1C=C[C@@H](C(=C)C)CCC(=C)C(=O)CC1 2356493480 USAJSSQYNUIUHJ-CQSZACIVSA-N 216.324 3.990 30 1 BHEF C=C(C)[C@]1(O)CC[C@@]2(C)CC=C(C)CC[C@H]21 13432032 LUWBRNPYIXNQTG-RBSFLKMASA-N 220.356 3.840 30 1 BHEF biogenic CC(C)=C1C[C@H]2O[C@]2(C)CC/C=C(/C)CC1=O 15160635 DWGVRYKQVZGSIB-JDBPXVJJSA-N 234.339 3.570 30 1 BHEF endogenous,in-man CCc1c(CC#N)[nH]c2ccc(F)c(Cl)c12 587630522 JOFANTGYSSZGPS-UHFFFAOYSA-N 236.677 3.589 30 1 BHEF CC(C)(C)N=Cc1c(O)ccc2ccccc12 2356812684 BLDDXCOQKAJFQV-UHFFFAOYSA-N 227.307 3.763 30 1 BHEF C=C1CC[C@H](C(C)C)C[C@@H]2[C@H]1CC[C@@]2(C)O 15265261 PFCPFINCEOMQFY-BYNSBNAKSA-N 222.372 3.776 30 1 BHEF biogenic C[C@@]12CCC[C@]1(C)[C@]1(C)CC[C@]3(CO3)[C@H]2C1 95911308 ROBVBIQWPFXMHM-ZQNQSHIBSA-N 220.356 3.772 30 1 BHEF biogenic,in-vitro C=C1[C@H](CO)C[C@]2(C)CC[C@H](C)[C@H](C)[C@]12C 2356468379 YXKRFZOMBQXIBR-IXDBCEGASA-N 222.372 3.633 30 1 BHEF C=CC[C@@]12N[C@@H](Cc3ccccc31)c1ccccc12 26016969 ZEZKMPQSDDFEQR-ZWKOTPCHSA-N 247.341 3.707 30 1 BHEF C/C1=C/CC[C@]2(CO2)[C@H]2CC(C)(C)[C@H]2CC1 257381080 AURKDPLYMRHYAY-LLIXWNAMSA-N 220.356 3.938 30 1 BHEF endogenous,in-man CC(C)(C)C(=O)c1coc2cc(C#N)ccc12 587278478 HLRJMSKYLKPTQG-UHFFFAOYSA-N 227.263 3.533 30 1 BHEF C=C(C)[C@H]1CC[C@H](C)[C@]23CC[C@H](C)[C@@]2(C1)O3 85826887 RGRYQUWGSJPMMK-BTFPBAQTSA-N 220.356 3.936 30 1 BHEF in-man C/C=C\C=C/C#C/C=C\C=C/CCCCC=O 221227663 JSONUWKRCNXRBR-XYPBADGASA-N 228.335 3.994 30 1 BHEF C=C1C(=O)C[C@@]2(C)C[C@H]1[C@]1(C)CCC[C@]12C 2356646404 AQEVLQOUEXYZOS-RZFFKMDDSA-N 218.340 3.738 30 1 BHEF C=C1C[C@H](O)[C@H](C(C)C)[C@H]2C=C(C)CC[C@H]12 13381245 UHPAOJOYWJZLCG-CBBWQLFWSA-N 220.356 3.552 30 1 BHEF biogenic C=C[C@@](C)(O)CC1=C(C(=C)C)CCC(C)=C1 14560024 ZIVKTIMZADKFSV-OAHLLOKOSA-N 218.340 3.926 30 1 BHEF endogenous,in-man CC(C)=CCCC1=CC[C@@H](C)[C@H](C=O)C1 44709679 XLKJWMUGWUWYGB-OCCSQVGLSA-N 206.329 3.904 30 1 BHEF C=C[C@H](O)C#CC#CC/C=C/C=C/CCCCC 238759726 WJFSPRQRDLHNOE-BVUIZAKUSA-N 242.362 3.623 30 1 BHEF C#CCn1c(-c2ccc(C)cc2)cc2c1CCC2 1772574721 OQNNTFUWHJPTJS-UHFFFAOYSA-N 235.330 3.585 30 1 BHEF CC1(C)C[C@@H]2CCC[C@@H]3O[C@@]3(C)CC[C@@H]21 2356504276 JTKVDLDJQJDKEB-MNXVOIDGSA-N 208.345 3.770 30 1 BHEF CC1=C[C@@H]2C(=C(C)C)C(=O)C=C(C)[C@@H]2CC1 2356502058 WFCQRHPAVQIDTH-STQMWFEESA-N 216.324 3.824 30 1 BHEF C=C1CC[C@H](C(C)(C)O)C[C@H]2C(C)=CC[C@H]12 15264373 KOMASUWOXAIAJL-MJBXVCDLSA-N 220.356 3.696 30 1 BHEF biogenic C=C1CCC=C(C)[C@@H](O)C[C@@H]2[C@@H]1CC2(C)C 253896667 OIEGRICJBAVBOD-MCIONIFRSA-N 220.356 3.696 30 1 BHEF C=C(C)[C@@H]1CC[C@@]2(C)C(=C(C)CC[C@H]2O)C1 2356692628 FNPFLRZHHDQZCG-YUELXQCFSA-N 220.356 3.840 30 1 BHEF C=C(C)[C@H]1CC[C@H](C)c2c1cc(C)c(O)c2O 13381390 RSZOVYRXXYVNDQ-GXSJLCMTSA-N 232.323 3.963 30 1 BHEF biogenic C=C1CC[C@H](C(C)C)C[C@@]12CCC[C@@]2(C)O 14713729 AEUBOEQPIBOTGP-ZNMIVQPWSA-N 222.372 3.920 30 1 BHEF biogenic C=C(C)[C@H]1CCC(CO)=C2CC[C@@H](C)[C@H]2C1 70454372 XDJJQGUABGVLLV-TYNCELHUSA-N 220.356 3.698 30 1 BHEF biogenic,in-vitro C=CCCCCCC=CC#CC#CC(=C)O 2356423642 JBTDJZUDBLPALT-UHFFFAOYSA-N 214.308 3.758 30 1 BHEF C=C(C)[C@H]1CC[C@H](C)[C@H]2CCC(C(=O)O)=C[C@H]12 13381273 JYYWWQXMXXNJSB-IGHBBLSQSA-N 234.339 3.646 30 1 BHEF COc1ccc(Cl)cc1C#CC1=CCCC1 587912020 CFSFKZARPLFONK-UHFFFAOYSA-N 232.710 3.810 30 1 BHEF C=C1CCC(=O)[C@@]2(C)CC[C@@H](C(=C)C)C[C@@H]12 15207052 JUKLYNAAYSJUIL-IPYPFGDCSA-N 218.340 3.904 30 1 BHEF biogenic C=CC[C@@H](Nc1ccccc1)c1ccncc1 29057930 QMWXVFBZAPINLI-OAHLLOKOSA-N 224.307 3.811 30 1 BHEF C[C@@H]1CC[C@@H]2O[C@@]23CC[C@H]2[C@H](C2(C)C)[C@@]13C 95884226 UYPPHUAQDGUVKN-QANKYFMGSA-N 220.356 3.626 30 1 BHEF C=C(CCCC(C)C)c1ccc(CO)cc1O 96907937 JNLUDAPAVJCDDS-UHFFFAOYSA-N 234.339 3.724 30 1 BHEF C=C(C)C[C@@H](O)C[C@@H](C)c1ccc(C)cc1 238789153 MUXJDCRAAKAIMK-UKRRQHHQSA-N 218.340 3.816 30 1 BHEF C#CC=CCC=C[C@@H]1CC[C@H](CC)[C@@H]2CCCN12 2356475997 YASMBDUEGFXWLE-BBWFWOEESA-N 243.394 3.775 30 1 BHEF C=C(CCC[C@@H](C)CC)C[C@H](O)C[C@@H](C)CO 15214215 VBYQXYSSKALZIL-CFVMTHIKSA-N 242.403 3.529 30 1 BHEF endogenous,in-man C=C(CO)[C@H]1CC[C@H](C)[C@@H]2CCC(C)=C2C1 15264399 PVSNVQBILAAHGF-BPNCWPANSA-N 220.356 3.698 30 1 BHEF CCC(=N\O)/C(C)=C/c1cncc2ccccc12 49036163 XRLZTPIIZFEVLO-JDRYRXCOSA-N 240.306 3.878 30 1 BHEF CC(C)=CC#CC(C)=CC[C@@H](O)c1ccoc1 2356312465 ATNZXEZRSMPUTL-OAHLLOKOSA-N 230.307 3.619 30 1 BHEF CC1=CC(=O)[C@H](C(C)C)CC[C@@H](C)C(=O)CC1 2356509653 XAGZDWNJBFVXAE-OLZOCXBDSA-N 236.355 3.553 30 1 BHEF C=C1[C@H](C(C)C)CC=C(C)[C@H]2[C@@H]1[C@H](C)C[C@H]2O 2356613149 BHSXLKWHFWXXQE-DPZJBDQQSA-N 234.383 3.798 30 1 BHEF C=CCc1cccc(OC)c1OCCCC 103284789 HJDZOPKFNBOPMM-UHFFFAOYSA-N 220.312 3.603 30 1 BHEF C=C[C@@](C)(O)CC/C=C(\C)C(=O)CC=C(C)C 219086861 MUORSVLFTLIZJO-XETPBLJFSA-N 236.355 3.575 30 1 BHEF C=C(CCC=C(C)C)[C@H]1C[C@H](CO)C1(C)C 13414523 FYGXEWITUKAOJO-ZIAGYGMSSA-N 222.372 3.944 30 1 BHEF biogenic C/C=C/C=C\C#C/C=C\C=C/CCCCC=O 221227730 JSONUWKRCNXRBR-GEXZYJCXSA-N 228.335 3.994 30 1 BHEF C=C1[C@@H]2CC[C@@H](C2)[C@@]1(C)CC/C=C(/C)C(=O)O 230097942 PMCPDNGTLRPFQQ-KHQYKYKDSA-N 234.339 3.790 30 1 BHEF Cc1coc2cc3c(c(C)c12)[C@H](C)C=CC3=O 2356656383 SZUVQGZZTKBDAL-MRVPVSSYSA-N 226.275 3.906 30 1 BHEF Cc1ccc(N/N=C/C=C/c2ccco2)cc1 6995638 FHPRWYNRAYODDD-NYGWLLIDSA-N 226.279 3.699 30 3 BHEF CC1=C2C=C(C(C)C)CC[C@@H](C)[C@H]2CC1=O 15264575 SWCMXVDXYDTWIO-ZWNOBZJWSA-N 218.340 3.904 30 1 BHEF biogenic C=C1CC[C@H](C(C)C)[C@@H]2C=C(C)[C@@H](O)C[C@H]12 2356379876 JZVCCTGSDKAMAW-KBXIAJHMSA-N 220.356 3.552 30 1 BHEF C[C@H](C=O)[C@@H]1CC[C@@]2(C)[C@H]3CC[C@@H](C3)[C@@]12C 2356784237 NTBLMLGSBLTBPJ-XZBVAUNFSA-N 220.356 3.674 30 1 BHEF C=C1C=C[C@]2(C[C@@H]1O)[C@@H](C)CC[C@H]2C(C)C 13307489 QLUSLBMNADHHII-AJNGGQMLSA-N 220.356 3.552 30 1 BHEF biogenic CC1=C[C@@]2(C)CCCC(C)(C)[C@H]2CC1=O 14614795 FXFDPILDESFQAO-TZMCWYRMSA-N 206.329 3.738 30 1 BHEF biogenic C=C(C)[C@@H]1CC[C@]2(C)C(=C(C)CC[C@@H]2O)C1 2356692627 FNPFLRZHHDQZCG-VHDGCEQUSA-N 220.356 3.840 30 1 BHEF C=C[C@]1(C)CC[C@@](O)(C(C)C)C[C@@H]1C(=C)C 15150003 IEPFBZDLASGILR-KFWWJZLASA-N 222.372 3.942 30 1 BHEF biogenic N#CCc1c(-c2ccco2)[nH]c2cccc(F)c12 587635835 UWSIWUSWBLIFCS-UHFFFAOYSA-N 240.237 3.633 30 1 BHEF C=C(CO)[C@@H]1CC[C@@H]2CCC[C@@H](C)[C@@]2(C)C1 33952417 YFKUAXRWMHKXSN-APIJFGDWSA-N 222.372 3.778 30 1 BHEF C=C1CC[C@H](C(C)C)[C@@H]2C=C(C(=O)O)CC[C@H]12 14917974 DTPZSZZVUKXNSJ-MCIONIFRSA-N 234.339 3.646 30 1 BHEF biogenic C#CCCCOc1ccc2ccc(=S)oc2c1 222431776 WENHDPXCLGKFGC-UHFFFAOYSA-N 244.315 3.954 30 1 BHEF C=CC(C)(C)c1nc2ccc(Cl)cc2[nH]1 587954295 NPXHWVANECHYEB-UHFFFAOYSA-N 220.703 3.680 30 1 BHEF C/C1=C/CC[C@@H](C=O)[C@@H]2CC(C)(C)[C@@H]2CC1 13383866 VLWNRFXSKLVVEB-LJQZHBTOSA-N 220.356 3.984 30 1 BHEF endogenous,in-man C=C(C)[C@@H](CCC(C)=O)CC1=C(C)CCC1=O 14694264 VALJTPGALJMVTL-ZDUSSCGKSA-N 234.339 3.617 30 1 BHEF biogenic,in-vitro CC(C)=CC(=O)C[C@@]1(C)OC2(C)CCC1CC2 15273894 DTLTZCCHHHRSOU-PESDSKBTSA-N 236.355 3.650 30 1 BHEF biogenic CCCC=C1C(=O)[C@@]2(C)CC[C@H]1C2(C)C 2356319775 FJOZLLJPAOSRCU-BXUZGUMPSA-N 206.329 3.738 30 1 BHEF C=C(C)[C@@H]1CCC(=O)[C@H]([C@H](C)CCC(C)=O)C1 13301164 VTZKQIJVPOTFTD-BNOWGMLFSA-N 236.355 3.553 30 1 BHEF biogenic C/C1=C\CC[C@]2(CO2)[C@@H]2CC(C)(C)[C@H]2CC1 238751078 AURKDPLYMRHYAY-UQICZJQLSA-N 220.356 3.938 30 1 BHEF C=C1CCC[C@@]2(C)CCC[C@@H](C(C)(C)O)[C@H]12 238789194 NAHDKZAHVIXVBA-IPYPFGDCSA-N 222.372 3.920 30 1 BHEF CC1=CCC[C@]2(C)CC[C@]3(C(C)C)O[C@H]3[C@@H]12 2356559932 PRQISQJIVNJQOR-LXTVHRRPSA-N 220.356 3.936 30 1 BHEF C=C1CC[C@@H](C(C)C)[C@@H]2[C@H](CC)C(=O)C[C@@H]12 86032092 FEVSDGLWKNZTPF-OSFYFWSMSA-N 220.356 3.840 30 1 BHEF C=C1[C@H](CO)C[C@]2(C)CC[C@H](C)[C@@H](C)[C@@]12C 2356468378 YXKRFZOMBQXIBR-HZZBMVKVSA-N 222.372 3.633 30 1 BHEF C=C(C)[C@H]1CC[C@@H](C)C12CCC(CO)CC2 2356693924 RDTHDRJVLMGJAD-FEWQNLEASA-N 222.372 3.778 30 1 BHEF CC1=C[C@H]2C(=C(C)C(=O)C[C@@H]2C(C)C)CC1 13381144 VFACPFXGWGDKEY-KGLIPLIRSA-N 218.340 3.904 30 1 BHEF biogenic C=C1CC[C@H](C(C)C)[C@H]2C=C(C)C(=O)C[C@@H]12 13381322 QUTSKAAVYUOEQA-HZSPNIEDSA-N 218.340 3.760 30 1 BHEF biogenic C=C(C)[C@H]1CC[C@]2(C)C(O)=CC(=O)C(C)=C2C1 14452534 UVPKPVSGUFZAQZ-NHYWBVRUSA-N 232.323 3.710 30 1 BHEF biogenic CC[C@@H](S)P(=O)(OC(C)C)OC(C)C 53296841 SGAGKIQXGMCPPU-SECBINFHSA-N 240.305 3.695 30 1 BHEF in-vivo C=C[C@@H](O)C#CC#CC/C=C/C=C\CCCCC 263638653 WJFSPRQRDLHNOE-WIXPQZJASA-N 242.362 3.623 30 1 BHEF C=C(C)[C@@H]1CCC[C@]12C(C)=CC(=O)C[C@H]2C 3926164 GIAQWJBFQWPNSU-VHDGCEQUSA-N 218.340 3.904 30 1 BHEF biogenic CCCCCC[C@]1(C)SC(O)=C(C)C1=O 101026903 LTLIOCSGRMCPCA-LBPRGKRZSA-N 228.357 3.821 30 1 BHEF C=CCCCC/C=C\C=C/C#CC#CC#CC 169062093 LEQCZKIMKYGCIQ-OWEHUKMGSA-N 222.331 3.875 30 1 BHEF C=C1CCC[C@H]2CC(=O)C(=C(C)C)C[C@@H]12 2356378112 WKMJPPKTUOCJJR-AAEUAGOBSA-N 204.313 3.658 30 1 BHEF CC(C)=C1C[C@@H]2[C@](C)(CC1=O)C[C@H]1C[C@@]12C 2356733000 NLBIJGCDYLISQQ-PUPMMZHASA-N 218.340 3.738 30 1 BHEF C=C1CCC[C@@]2(CO)CC[C@@H](C(=C)C)C[C@@H]12 15207135 HSHCNLJAONXBOB-ILXRZTDVSA-N 220.356 3.698 30 1 BHEF biogenic C=C1CCC[C@]2(C)CC[C@H](C(C)C)C[C@]12O 15209478 DIFRMHMHLVIDPB-ZNMIVQPWSA-N 222.372 3.920 30 1 BHEF biogenic C=CCc1cc(OC)ccc1OCCC(C)C 103287440 DJADGNAEATZHPH-UHFFFAOYSA-N 234.339 3.849 30 1 BHEF C=C(C)[C@@H]1CC(=O)[C@@]2(C)CCC=C(C)[C@H]2C1 33952863 NCURUZQWQGIRTM-GUTXKFCHSA-N 218.340 3.904 30 1 BHEF O=N[C@H](c1ccccc1)[C@@H]1O[C@@H]1c1ccccc1 169705208 OMGAPFGTLVUQBM-KFWWJZLASA-N 239.274 3.634 30 1 BHEF C=CC(C)(C)c1nc2cc(C)cc(C)c2[nH]1 587954507 XYTRBWQLPZBDBK-UHFFFAOYSA-N 214.312 3.643 30 1 BHEF C=C1CCC[C@@H]2CC[C@@H](C(C)(C)O)C[C@@H]12 2356625733 XFSVWZZZIUIYHP-UPJWGTAASA-N 208.345 3.530 30 1 BHEF C=C1CC[C@@H](C(C)C)C[C@@H]2[C@H]1CC[C@]2(C)O 70454235 PFCPFINCEOMQFY-BARDWOONSA-N 222.372 3.776 30 1 BHEF biogenic,in-vitro C=C1C[C@@H](O)/C=C(\C)CC[C@@H]2[C@@H]1CC2(C)C 13383805 DJGZASXOWNHOFE-YTDDXOCRSA-N 220.356 3.696 30 1 BHEF C=C[C@@H](CC=CCCCCC)OC(C)=O 2356391601 UGBVCTPSHZAOJV-ZDUSSCGKSA-N 210.317 3.631 30 1 BHEF C=C(C)[C@@H]1CC[C@@]2(C)O[C@]23CC[C@H](C)[C@@H]3C1 38272069 OQZCYVPJJHEMSP-ZQNQSHIBSA-N 220.356 3.936 30 1 BHEF CCCCCCCCCCC(=O)CC(=O)O 102184393 ZOPNZCDKYMGXKU-UHFFFAOYSA-N 228.332 3.561 30 1 BHEF CC(C)[C@@H]1CCC2=CC(=O)C[C@H](C)[C@@]2(C)C1 103290406 GQHRRBIPGXYEFT-YWPYICTPSA-N 220.356 3.984 30 1 BHEF C#C/C=C\C[C@H]1CCC[C@@H]2N[C@H](CC=C)CC[C@H]21 164855536 LNNCEICYEONULV-ZSQCAHALSA-N 243.394 3.679 30 1 BHEF CC(C)[C@H]1CC[C@@H](C)C2=CC(=O)[C@@H](C)C[C@@H]21 238736001 JXYYAVIQSRGRHK-GFQSEFKGSA-N 220.356 3.840 30 1 BHEF C=C1[C@H](O)C[C@H](C(C)C)[C@]12CC=C(C)CC2 238756492 NROQFHKUAQVZGM-KFWWJZLASA-N 220.356 3.696 30 1 BHEF C=C(C)CC[C@@]1(C)CCc2cc(O)ccc2O1 1857592209 YEKVFPDJBJSCQZ-HNNXBMFYSA-N 232.323 3.832 30 1 BHEF C=C(C)[C@@H](O)CC[C@@H](C)c1ccc(C)cc1 2356790984 GGJSLMNHHMITIH-HIFRSBDPSA-N 218.340 3.816 30 1 BHEF CC1=C[C@@H]2[C@H](CC1=O)C(C)=CC[C@H]2C(C)C 3978622 LMILVXQXGKTFSZ-MJBXVCDLSA-N 218.340 3.760 30 3 BHEF biogenic,in-vitro C=C1CCC[C@]2(C)CC3=C(C[C@@H]12)[C@H](C)C(=O)O3 157252007 HVXUKRCJYSIZFL-ITDIGPHOSA-N 232.323 3.590 30 1 BHEF C=C1CN2[C@H]3CC[C@H]2[C@H]1[C@@H](c1ccc(C)cc1)C3 199571462 BMNNHOAPHMYHIH-VVLHAWIVSA-N 239.362 3.501 30 1 BHEF CCCCCc1ccc2cc(C#N)ccc2n1 72136868 HGETYNPSUOVEBJ-UHFFFAOYSA-N 224.307 3.839 30 3 BHEF C=CC[C@H](SC)C1=C(C)C(=O)c2ccccc21 1638678 GWFPJWNIEWMHQR-ZDUSSCGKSA-N 244.359 3.964 30 1 BHEF C=C[C@]1(C)[C@H](O)C[C@@H](C(=C)C)C[C@@H]1C(=C)C 15150126 YFNGGCSSPZBZRN-YJNKXOJESA-N 220.356 3.718 30 1 BHEF biogenic C=CCCCC/C=C\CC#CC#CC#CC 215748014 KXCLVXGRTBKQDF-SQFISAMPSA-N 210.320 3.709 30 1 BHEF CCC(CC)C[C@]1(C)SC(O)=C(C)C1=O 101033168 OMQNPOBILVHKED-LBPRGKRZSA-N 228.357 3.677 30 1 BHEF C=C1[C@H](CO)C[C@]2(C)CC[C@H](C)[C@@H](C)[C@]12C 2356468377 YXKRFZOMBQXIBR-FONWIUJUSA-N 222.372 3.633 30 1 BHEF C=C1[C@@H]2O[C@H]2C=C(C)CC[C@@H]2[C@H]1CC2(C)C 2356672835 ZNEXISBKZUKEQK-CRWXNKLISA-N 218.340 3.712 30 1 BHEF CC1=C2C=C(C(C)C)CC[C@@H](C)[C@@H]2CC1=O 15264578 SWCMXVDXYDTWIO-MFKMUULPSA-N 218.340 3.904 30 1 BHEF biogenic CCC[C@@H](C)C(=O)c1coc2cc(C#N)ccc12 587279666 ZRPASHTYENHFES-SNVBAGLBSA-N 241.290 3.923 30 1 BHEF C/C=C/C1=CC(=O)C[C@H](c2ccc(OC)cc2)C1 61958720 KDHPFDYZXQZXQL-RDFMZFSFSA-N 242.318 3.644 30 3 BHEF C=C1C[C@](C)(C=O)CC[C@H]2[C@@H]1CC2(C)C 13377171 KHGAHZYLXXABTK-MBNYWOFBSA-N 206.329 3.594 30 1 BHEF biogenic CCCC#CC#C/C=C/C=C/[C@@H](O)CCCCC 13835260 FWOOMNCMIMPWFM-ZGRLATHUSA-N 244.378 3.847 30 1 BHEF CC1(C)CCC[C@@]23C[C@@](C)(CC[C@@H]12)[C@H]3C=O 140191158 GDTCRHYZPCTDEY-CTHBEMJXSA-N 220.356 3.818 30 1 BHEF Cc1ccc(O)c(/N=C\c2ccc(C)s2)c1 18122487 WQCATVVBVTULPD-ZSOIEALJSA-N 231.320 3.821 30 1 BHEF C=C1COC=C2C(C)=CC[C@@H]3[C@H]([C@H]12)C3(C)C 14659181 MPCQKDYYHFZZAW-MGPQQGTHSA-N 216.324 3.695 30 1 BHEF biogenic C#Cc1ccc(NC(=O)OCCC(C)(C)C)cc1 473166243 FMQXEJHFOBCCPK-UHFFFAOYSA-N 245.322 3.653 30 1 BHEF C=CCCCC(=O)C=CC=CC#CC#CC=CC 2356376466 SVPXNXHGRIFSDG-UHFFFAOYSA-N 238.330 3.607 30 1 BHEF C=C1C(=O)C=CC[C@@H]1C=CC=CCCC 2356683166 JNFGTEZBSNFLIN-ZDUSSCGKSA-N 202.297 3.600 30 1 BHEF C=C1CCC(=O)[C@H](C)CC[C@H]2[C@H]1CC2(C)C 3978617 GWBJPNAWYMBRLQ-AGIUHOORSA-N 220.356 3.984 30 1 BHEF biogenic,in-vitro N#Cc1ccc2c(c1)nc1ccc3ccccc3n12 28869173 YAMDPDAIJLZHOC-UHFFFAOYSA-N 243.269 3.512 30 1 BHEF C=C1C(=O)O[C@@H]2C=C(C)CCC[C@@H](C)CC[C@@H]12 2356566249 DCNAVROPXHTJGM-DDTOSNHZSA-N 234.339 3.631 30 1 BHEF C=C1C=C[C@@H](C(C)C)[C@]12CC=C(C(=O)O)CC2 66114301 NNQORNHPOYUTFB-ZFWWWQNUSA-N 232.323 3.566 30 1 BHEF C=C1C[C@H]2Cc3c(C)coc3CC(=C)[C@@H]2C1 2356307241 PXXJFFAUJYCTFW-STQMWFEESA-N 214.308 3.825 30 1 BHEF C[C@@H]1c2ccoc2C[C@@]2(C=O)[C@H](C)CC[C@@]12C 34062779 MUIMFQOVWHEBND-HKCMKHECSA-N 232.323 3.561 30 1 BHEF N#Cc1c(-c2ccccc2)[nH]c2cc(F)ccc12 141375139 JVZFXLFZYXZWAS-UHFFFAOYSA-N 236.249 3.846 30 1 BHEF C[C@H]1C[C@H]1c1[nH]c2cc(Cl)c(F)cc2c1C#N 587630336 JEIPAHNVUAUALK-NKWVEPMBSA-N 248.688 3.955 30 1 BHEF C=C1[C@H](C(C)C)CC=C(C)[C@@H]2[C@H](O)C[C@H](C)[C@@H]12 2356613150 BHSXLKWHFWXXQE-HVQZGBDUSA-N 234.383 3.798 30 1 BHEF O=C1CCCC2=C1[C@@H](c1ccccc1)CS2 251217 TWCGMLQBHQGODR-LLVKDONJSA-N 230.332 3.524 30 1 BHEF C=C1CCC(=O)[C@]2(C)CC[C@@H](C(C)C)[C@@H]2C1 59778794 JBOONPKUPONSIB-KCQAQPDRSA-N 220.356 3.984 30 1 BHEF endogenous,in-man C=C1COC=C2C(C)=CC[C@H]3[C@@H]([C@@H]12)C3(C)C 85775384 MPCQKDYYHFZZAW-IHRRRGAJSA-N 216.324 3.695 30 1 BHEF N#Cc1ccccc1[C@@H](C#N)/N=N/c1ccccc1 95588759 JHRBZSIEKUQWBT-AMGRQBIBSA-N 246.273 3.907 30 1 BHEF CC(C)=C1CC(=O)[C@@H](C)CC/C=C(/C)CC1=O 100778771 ZYPUZCWWTYIGFV-DSDFTUOUSA-N 234.339 3.617 30 1 BHEF endogenous,in-man C=C1[C@H]2CC[C@@H](C2)[C@]1(C)CC=C[C@@H](C)C(=O)O 2356530659 IHMZZHKCEDANPL-GVUJHPQVSA-N 234.339 3.646 30 1 BHEF Cc1cccc(C#CC2=CC(=O)CC(C)(C)C2)c1 61921123 DVYYIOZRTPRDGY-UHFFFAOYSA-N 238.330 3.662 30 3 BHEF CCCCCCCCCC#CCCC(=O)O 102182446 LMOFKFVITGLLAG-UHFFFAOYSA-N 224.344 3.995 30 1 BHEF C=CC(=O)c1ccc(CC(C)(C)C)cc1 28863260 ZAJXTSCVHIFDBB-UHFFFAOYSA-N 202.297 3.644 30 1 BHEF CCCCCC/C=C/c1cc(C)oc(=O)c1 43300174 DYXMSOXQSDCVPE-CMDGGOBGSA-N 220.312 3.932 30 1 BHEF C/C(=N\c1nc2ccccc2[nH]1)c1ccccc1 66100217 DHEUWKXLEIIOBA-LFIBNONCSA-N 235.290 3.704 30 1 BHEF [N-]=[N+]=Nc1ccc2c(c1)c(N)nc1ccccc12 169350062 FRCWQAVBDOKFBF-UHFFFAOYSA-N 235.250 3.912 30 1 BHEF C=C[C@@]1(CO)CC[C@H](C(=C)C)C[C@@H]1C(=C)C 238745310 BEWDWUSHVLODOB-ZNMIVQPWSA-N 220.356 3.720 30 1 BHEF C/C1=C/CC[C@H](C=O)[C@@H]2CC(C)(C)[C@H]2CC1 257567012 VLWNRFXSKLVVEB-BFMBINPPSA-N 220.356 3.984 30 1 BHEF endogenous,in-man C=CCC(C)(C)c1nc2ccc(C(C)=O)cc2[nH]1 587954253 LFOCZQTXMQTVAR-UHFFFAOYSA-N 242.322 3.619 30 1 BHEF C=CCOc1ccccc1C(=C)C=CC 2356448056 NNZPVLUHKSVBET-UHFFFAOYSA-N 200.281 3.841 30 1 BHEF C=C1[C@H](CO)C[C@]2(C)CCCC(C)(C)[C@]12C 14765732 ZAJCGIUTBZQWJO-QEJZJMRPSA-N 222.372 3.778 30 1 BHEF biogenic C[C@H]1C=CC2=CC(=O)C[C@]2(C)[C@@H]2CCCC[C@@H]12 95486031 REPSZHDKTARSEN-KSYCFECVSA-N 230.351 3.904 30 1 BHEF biogenic,in-vitro O/C(=C\C=N\c1cccc(O)c1)c1ccccc1 101514086 ZQKUWBFVUCLMDY-CKOAPEAFSA-N 239.274 3.694 30 1 BHEF C=C[C@@](C)(O)C[C@H]1C=C(C)CC[C@@H]1C(=C)C 85945020 KPDSVTXZHWEKOQ-RBSFLKMASA-N 220.356 3.862 30 1 BHEF N#C[C@H](c1ccc(F)cc1)c1cccc(Cl)n1 95872396 MTHMHHZAPZIWBE-LLVKDONJSA-N 246.672 3.530 30 1 BHEF C=C1CC[C@]2(C)C[C@H]1[C@]1(CO)CCC[C@]21C 238767723 DQTPTXNPJIWXSR-KBUPBQIOSA-N 220.356 3.532 30 1 BHEF C=C(C)CCc1cc2c3c(cccc3n1)CC2 587213956 MJWSGKDEKIOJNQ-UHFFFAOYSA-N 223.319 3.842 30 1 BHEF CCCCCC(=O)/C=C/c1ccc(O)c(OC)c1 1911577076 MQZAGWQQVYHWNT-VQHVLOKHSA-N 248.322 3.563 30 1 BHEF C=C1[C@H](O)CC(C(C)C)=C[C@@H]2[C@H](C)CC[C@@H]12 2356607476 WFAWAGJRGJHCLR-AQNFWKISSA-N 220.356 3.552 30 1 BHEF C=C1C(=O)C[C@@]2(C)C[C@H]1[C@@]1(C)CCC[C@]21C 2356646402 AQEVLQOUEXYZOS-NMFUWQPSSA-N 218.340 3.738 30 1 BHEF C=C(C)C1=CC(=O)[C@@]2(CCC[C@@H]2C)C(C)=C1 13397033 SKDDSQYBUAWHTP-XHDPSFHLSA-N 216.324 3.824 30 1 BHEF biogenic CC1=C[C@@]2(C)CCCC(C)(C)[C@@H]2CC1=O 14614793 FXFDPILDESFQAO-GXTWGEPZSA-N 206.329 3.738 30 1 BHEF biogenic C=C(c1ncnc2[nH]ccc12)C1CCCCC1 38276621 XZABOWPIWJFDDW-UHFFFAOYSA-N 227.311 3.551 30 1 BHEF CCCCC(/C=N/O)=C\c1ccc(OC)cc1 40834782 QFBUCQGLOKCQNA-FVIOEUFFSA-N 233.311 3.729 30 1 BHEF Cc1ccc(/C=C2\CCC[C@H](C)C2=O)cc1 71317436 STYHXCXZDYTYSE-LQELWAHVSA-N 214.308 3.768 30 1 BHEF CCCCCCC=CC[C@H]1C[C@@H]1C(=O)O 2356323568 CYZBYYRNFIYDSJ-RYUDHWBXSA-N 210.317 3.624 30 1 BHEF C=C1CC(C(C)C)=CC[C@@H]2[C@H]1CC[C@]2(C)O 2356504986 MDWXTAJJDBSNKM-ZNMIVQPWSA-N 220.356 3.696 30 1 BHEF C=C(C)[C@@H]1CC[C@]2(C)C(O)=CC(=O)C(C)=C2C1 14452533 UVPKPVSGUFZAQZ-ABAIWWIYSA-N 232.323 3.710 30 1 BHEF biogenic C=C1CCC[C@]2(C)CC[C@@H](c3cc3=O)C[C@H]12 2356474466 SIQVVJZAJWQLNM-UXIGCNINSA-N 216.324 3.553 30 1 BHEF C=C[C@@H]1[C@]2(C)CC[C@@H](C)[C@]2(C)CC[C@@]1(C)O 38588282 HREUFMHSMQZMOV-NIFZNCRKSA-N 222.372 3.776 30 1 BHEF C=CC1=C2C=C(C(=C)C)CC[C@@]2(C)C[C@@H](O)C1 238771889 ATDCMONBZOSPNV-HOCLYGCPSA-N 230.351 3.926 30 1 BHEF C=C(C)[C@H]1CC[C@@]2(C1)C(C)=CC(=O)C[C@H]2C 34217435 FGCUSSRGQNHZRW-VNHYZAJKSA-N 218.340 3.904 30 1 BHEF endogenous,in-man C=C1[C@H]2CC[C@H](C)[C@H]2C=C(C(C)C)C[C@H]1O 2356607478 WFAWAGJRGJHCLR-CJYSPXJISA-N 220.356 3.552 30 1 BHEF CCC[C@@H]1CC=C(C)[C@H]2CC[C@H](C=O)C[C@H]21 38284082 LUVOUSNJDOSAPC-YJNKXOJESA-N 220.356 3.984 30 1 BHEF CN/C(=N\c1cccc(Cl)c1)SC(C)C 28339253 ZTXYUXCXSYNRJU-UHFFFAOYSA-N 242.775 3.689 30 1 BHEF C=C(C)[C@H]1CC[C@H]2C(=O)CC[C@H](C)[C@]2(C)C1 100826309 YHPOLTFUARNADB-ABHRYQDASA-N 220.356 3.984 30 1 BHEF endogenous,in-man C#C/C=C\C[C@@H]1CCC[C@H]2N[C@H](CC=C)CC[C@@H]12 164855425 LNNCEICYEONULV-NAOQKORLSA-N 243.394 3.679 30 1 BHEF C=C1CC/C=C(/C)[C@H](O)C[C@@H]2[C@@H]1CC2(C)C 169369730 OIEGRICJBAVBOD-JVZBLKNWSA-N 220.356 3.696 30 1 BHEF C=C1CCC(=O)[C@@H](C)CC[C@H]2[C@H]1CC2(C)C 3978618 GWBJPNAWYMBRLQ-AVGNSLFASA-N 220.356 3.984 30 1 BHEF in-vitro C=CC(C)(C)C=Cc1ccc(O)c(OC)c1 2356473752 OZHWNYGSHCLZHE-UHFFFAOYSA-N 218.296 3.626 30 1 BHEF CCCCCCC/C=C/C=C/CC(=O)O 96095107 PTYZGNZCLHAQEB-BNFZFUHLSA-N 210.317 3.934 30 1 BHEF in-vitro CO/N=C(C)\C=C\[C@@H]1C(C)=CCCC1(C)C 103215409 AELHASQYTOGISV-NJSMAGLISA-N 221.344 3.947 30 1 BHEF CCCCCCC=CC[C@@H]1C[C@H]1C(=O)O 2356323569 CYZBYYRNFIYDSJ-VXGBXAGGSA-N 210.317 3.624 30 1 BHEF C=CCC[C@H](CC=C(C)CCO)C(=C)C 2356721351 BOOBJSIZYLHKKZ-CQSZACIVSA-N 208.345 3.864 30 1 BHEF C=C(C)[C@H]1CC[C@@]2(C)CC(=O)C=C(C)[C@@H]2C1 15207423 IVZATFCVCDHOLU-QEJZJMRPSA-N 218.340 3.904 30 1 BHEF endogenous,in-man Cc1coc2c1C[C@]1(C)C(=C2)C(=O)CC[C@@H]1C 15220985 VSDUSOQWCZPNDE-BONVTDFDSA-N 230.307 3.533 30 1 BHEF biogenic C=C(C)[C@@H]1CC=C2CC[C@H](O)[C@H](C)[C@]2(C)C1 2356459629 TWGYXCCDWSORFO-NEBZKDRISA-N 220.356 3.696 30 1 BHEF CC(=O)CC/C=C(\C)CC[C@@H]1[C@@H](C=O)C1(C)C 13366412 OWXSNWCHPCHSFO-GFUGXAQUSA-N 236.355 3.553 30 1 BHEF CC1=C/C(=N/Nc2ccccc2Cl)CC1 38374494 JNYRRCAMDARRFV-GXDHUFHOSA-N 220.703 3.848 30 1 BHEF C=CCC(C)(C)c1nc2cccc(C)c2[nH]1 587954247 KZTZAFHRBMVHTC-UHFFFAOYSA-N 214.312 3.725 30 1 BHEF O=N[C@H](c1ccccc1)[C@@H]1O[C@H]1c1ccccc1 221252059 OMGAPFGTLVUQBM-ILXRZTDVSA-N 239.274 3.634 30 1 BHEF C=C(C)[C@@H]1CC2=C(C)CCC[C@@]2(C)[C@@H]2O[C@H]12 238765272 HPCVOEQSOLQFPZ-ZGKBOVNRSA-N 218.340 3.857 30 1 BHEF C=C1CC[C@@]2(C)C[C@@H]1[C@]1(CO)CCC[C@]21C 238780159 DQTPTXNPJIWXSR-BYNSBNAKSA-N 220.356 3.532 30 1 BHEF C/C1=C\Cc2c(C)coc2C(=O)/C(C)=C/CC1 15160660 HPDPXMXGOKJKHX-NXAIOARDSA-N 230.307 4.000 30 1 BHEF C=C[C@]1(C)CC[C@H]([C@@H](C)C(=O)CC=C(C)C)O1 15163632 FJKKZNIYYVEYOL-NWANDNLSSA-N 236.355 3.672 30 1 BHEF endogenous,in-man C=C1CCC[C@]2(C)[C@H](O)C[C@@H](C(C)C)C[C@H]12 2356447157 WOKMOHTUPBAZGC-YJNKXOJESA-N 222.372 3.776 30 1 BHEF C=C(CCC=O)[C@@H]1CC(C)(C)[C@H]1CCC(C)=O 223553455 PJJCDGMFEIUQRZ-KBPBESRZSA-N 236.355 3.553 30 1 BHEF C=C[C@]1(C)C[C@H](O)[C@@H](C(=C)C)C[C@H]1C(C)C 15150030 SNRRJYWOCWXKHG-CBBWQLFWSA-N 222.372 3.798 30 1 BHEF biogenic CC1(C)OC(/C=C/c2ccc(Cl)cc2)=CC1=O 34463725 HZTGEVZLBSHLML-VMPITWQZSA-N 248.709 3.615 30 1 BHEF O=C(/C=C/c1ccc(Cl)cc1)c1ccc[nH]1 98084200 SPILORUZGXVCQU-VMPITWQZSA-N 231.682 3.564 30 1 BHEF CC(C)c1[nH]c2cc(Cl)c(F)cc2c1C#N 587631014 UROVXFOZHQUSKP-UHFFFAOYSA-N 236.677 3.955 30 1 BHEF C=C1C[C@H](O)C[C@]2(C)CC=C(C(C)C)C[C@@H]12 15206981 VOQCANHVRSWHJK-KKUMJFAQSA-N 220.356 3.696 30 1 BHEF biogenic CCCCC(=O)c1coc2cc(C#N)ccc12 587279241 PMEYTEPMUVJDQW-UHFFFAOYSA-N 227.263 3.677 30 1 BHEF C=C1C(=O)O[C@H]2CC(C)=CCC=C(C)CC[C@H]12 2356418246 CUGKULNFZMNVQI-KGLIPLIRSA-N 232.323 3.551 30 1 BHEF