smiles zinc_id inchikey mwt logp reactive purchasable tranche_name features N#Cc1ccc(-c2ccc(-c3cccs3)s2)cc1 59859415 BJELKYGNAJIRAK-UHFFFAOYSA-N 267.378 5.015 30 1 CKEF CCCCCCCCCCCC[C@H](C)CCCCC(=O)O 60019775 OOENENRRTKPZNT-SFHVURJKSA-N 298.511 6.579 30 1 CKEF C=CCCCCCCCCCC#CCCCCC(=O)OC 238746221 JREXFVZSWAOXFR-UHFFFAOYSA-N 292.463 5.420 30 1 CKEF CCCCCC/C=C/c1c(C)cc(C)c2[n+]1C[C@H](C)C=C2 1911571919 HBIVNXDEMJEFTQ-SIFUEBAJSA-N 284.467 5.237 30 1 CKEF Cl/C(=N\Nc1ccccc1)c1cc(Cl)cc(Cl)c1 27623828 GWWDYLXWKYWPEI-AQTBWJFISA-N 299.588 5.006 30 1 CKEF C=C(C)[C@@H]1CC[C@]2(C)CC=C(C)CC[C@H](O)C(C)=CC[C@@H]12 2356585650 XLVICQJWBTVGFZ-MUGJNUQGSA-N 288.475 5.423 30 1 CKEF C=CC[C@@]12C=CC(=NNc3ccccc3)C=C1CCCC2 2356699097 CJANUMQXLUDESZ-LJQANCHMSA-N 278.399 5.087 30 1 CKEF C=CCCCCCCC[C@H](C)CCC[C@@H](C)CCCC 85644969 HNNJJUHEQQKTEO-PMACEKPBSA-N 280.540 7.536 30 1 CKEF CCCCCCCC[C@H](CC)C(=O)CC(=O)CCC 85734178 IEOQQSGEDNEZSG-HNNXBMFYSA-N 268.441 5.092 30 1 CKEF C=C(C)C=CC[C@H](C)CCC[C@@H](C)CCC[C@@H](C)CC 2356380468 HPXTYQIQNKBSIK-UFYCRDLUSA-N 278.524 7.168 30 1 CKEF C=C[C@]1(C)CC[C@@H]2C(=CC[C@@H]3C(C)(C)CC[C@H](O)[C@@]23C)C1 2356752218 QSKBCOXQCVLBON-VROUVPMXSA-N 288.475 5.112 30 1 CKEF CCCC/C=C/C#CCN(C)Cc1cccc2ccccc12 29321422 NYCPCNPQRUQREP-VOTSOKGWSA-N 291.438 5.021 30 1 CKEF C=CC(=C)CC/C=C(\C)CC/C=C(\CC)CCC=C(C)C 238768013 JSAPHQWMJSFUEE-PQBPFAQHSA-N 286.503 7.318 30 1 CKEF CCCCC1CCC(c2[nH]c3cccc(F)c3c2C#N)CC1 587635243 ISWBJIIHBIBPIA-UHFFFAOYSA-N 298.405 5.643 30 1 CKEF CCCCCCC=CC[C@@H](O)CCCCCCCC(=O)O 2356553760 KNMSLQJUPUXEQJ-QGZVFWFLSA-N 298.467 5.079 30 1 CKEF CC(C)=C1C(=O)C[C@]2(C)C/C=C(/C)CC/C=C(/C)CC[C@@H]12 15146994 YETBHHZORHIONL-NVWWMDSYSA-N 286.459 5.775 30 1 CKEF C=C(C)[C@@H]1C/C=C(\C)CC/C=C(\C)CC/C=C(\C)C[C@@H]1O 34250850 HTWXQGABXITTNW-PVVKSNLWSA-N 288.475 5.733 30 1 CKEF C/C=C/C(=O)[C@H](CC)CCCCCCCCCC 85734238 OZIVVSOLXDKYGS-HQYNXSMWSA-N 252.442 5.689 30 1 CKEF CC#CCCCCCCCc1nc2ccc(Cl)cc2[nH]1 587956747 LJIKVGPORKZNKM-UHFFFAOYSA-N 288.822 5.123 30 1 CKEF C=C1C[C@@H]2OC(C)(C)[C@@H]3CC[C@](C)(C[C@H]4[C@H](C)CC[C@@H]14)[C@@H]23 6031031 PODKCDPRHXSRRA-NUIBMGQQSA-N 288.475 5.209 30 1 CKEF C=CCCCC[C@@H]1CC[C@H](CCCCCCCCC)N1 36294963 VJYHAIYEEJOCLT-MOPGFXCFSA-N 279.512 5.994 30 1 CKEF in-vivo CCC/C=C/C(=O)[C@@H](CC)CCCCCCCCCC 85734262 MQNYJGKKAZCXOA-UMADGWCESA-N 280.496 6.469 30 1 CKEF CCCCCC/C=C\CCCCCC(=O)OC(C)C 85922466 BYTFCQILGDNDRH-KTKRTIGZSA-N 268.441 5.415 30 1 CKEF CC[C@@H](C)c1ccc2[nH]c(C(C)(C)CC)c(C#N)c2c1 587643607 VXKPANWZNCPPEW-GFCCVEGCSA-N 268.404 5.241 30 1 CKEF C=C[C@@](C)(/C=C/c1ccc(OC)c(F)c1)CCC=C(C)C 29062724 AYYCPXHZUVGABU-XSSIKURBSA-N 288.406 5.786 30 1 CKEF CCC#CCCCCCCCCCCCCCC(=O)O 33822225 DTBFQLRDDMCLOS-UHFFFAOYSA-N 280.452 5.556 30 1 CKEF C=C(C/C=C/C(C)(C)O)[C@H]1CC[C@]2(C)C=CC=C(C)[C@H]2C1 49802862 MTVZOJVTVZWEBK-RNSWOICUSA-N 286.459 5.199 30 1 CKEF CCCCCCCCCCCCCC1=NCCCC1 73220640 FYIBZFUBSLZUNR-UHFFFAOYSA-N 265.485 6.312 30 1 CKEF C=CCCCCCCC/C=C\C/C=C\C/C=C\CC 140631495 PVZVXAGKKBRWLN-MWSZCINKSA-N 260.465 6.762 30 1 CKEF CC(C)CCC[C@@H](C)CCC[C@@H](C)CCC[C@@H](C)CC=O 13549033 LISGFRBQPTUNBA-VAMGGRTRSA-N 296.539 6.651 30 1 CKEF CCCCCCC/C=C/C[C@H]1CCC[C@H]2CCCN21 85947845 KUOHEKAUFRUGAR-XDIYQJDNSA-N 263.469 5.310 30 1 CKEF C=C[C@@](C)(CO)C[C@@H]1C(=C)CC[C@@H]2C(C)(C)CCC[C@@]12C 238740482 DXZWZHDIHFURDA-LFGUQSLTSA-N 290.491 5.360 30 1 CKEF C=CCCCCCCC/C=C\C/C=C\Cc1cccc(O)c1 238747367 IXROXLNENZQWPQ-XVTLYKPTSA-N 298.470 6.354 30 1 CKEF CC1=C[C@@H]2C[C@H](C)[C@@H]3CC[C@](C)(C#N)[C@@H]4CC[C@H]([C@@H]1C)[C@H]2[C@H]34 2356357355 IBAYMLMAQMYLOI-GFGYMJMHSA-N 297.486 5.437 30 1 CKEF C/C(=N\c1ccc(C)cc1)c1sc2ccccc2c1O 20842937 IMQYOORYIQDZTK-LDADJPATSA-N 281.380 5.056 30 1 CKEF CCCCCCCCCCCC=C[C@@H](O)CCCC 2356417728 KGMZHYFEPXCLEC-SFHVURJKSA-N 268.485 6.015 30 1 CKEF C=CC(=C)CC[C@H]1[C@@](C)(O)CC[C@@H]2C(C)(C)CCC[C@]21C 33902483 JTWQQJDENGGSBJ-LFGUQSLTSA-N 290.491 5.502 30 1 CKEF CCCCCCCCC/C=C/CCCc1ccc(O)cc1 44351383 UHBRTPHHYOTILN-ZHACJKMWSA-N 288.475 6.412 30 1 CKEF C=C(CCC(C)=CCC[C@@H](C)C1=CC=C(C)CC1)C(C)C 2356616428 WQNXRHFVOVHSCC-HXUWFJFHSA-N 286.503 7.008 30 1 CKEF C=C1C[C@]23CC[C@H]4C(C)(C)CCC[C@]4(C)[C@H]2CC[C@H]1C3 40163581 ONVABDHFQKWOSV-GCLMUHHRSA-N 272.476 5.975 30 1 CKEF in-man C=C[C@@]1(C)CC[C@H](/C(C)=C/C[C@H]2OC2(C)C)C[C@@H]1C(=C)C 40408830 PLMPUHCOGGTVIR-JZXJGBJOSA-N 288.475 5.685 30 1 CKEF C=C[C@]1(C)C=C2CC[C@H]3C(C)(C)[C@H](O)CC[C@]3(C)[C@H]2CC1 238738482 ATQOOBSXQVRQPY-VBYALHQYSA-N 288.475 5.112 30 1 CKEF CCC=CCC=CC[C@H]1O[C@@H]1CCCCCCCCC 2356500815 CEWBAXULNPORDY-RTBURBONSA-N 278.480 6.197 30 1 CKEF C=CCCCCCCC/C=C\C[C@H](O)[C@@H](O)CCCCC 14614281 DJFPWUBTBKGAGA-KLWYPFDXSA-N 296.495 5.152 30 1 CKEF C=CCCCCCCCCCCCCC(=O)/C=C/C(=O)O 14619882 LAIGSRSLYYWKPR-FOCLMDBBSA-N 294.435 5.064 30 1 CKEF CCCCCCCCC(=O)c1coc2cc(C#N)ccc12 587278308 FGTWMHACMNHPOU-UHFFFAOYSA-N 283.371 5.238 30 1 CKEF C=C(CCC=C(C)C)[C@H]1CCC=C(CCC=C(C)C)C1 85881270 OIRFZVJHADZVMD-FQEVSTJZSA-N 272.476 6.762 30 1 CKEF endogenous,in-man C=C/C=C\C/C=C\C/C=C\CCCCCCCCCCC 146188892 HFDJMLREALXHAD-JTBMWNAQSA-N 288.519 7.542 30 1 CKEF CCCCCCCC/C=C(\C)CCCCCC(=O)OC 223224413 UXARGKMOHWLZFD-SAPNQHFASA-N 282.468 5.807 30 1 CKEF CCCCCCCCCCCCC#CCCCC(=O)O 86020661 GDBJCCBRRCYCEG-UHFFFAOYSA-N 280.452 5.556 30 1 CKEF endogenous,in-man C=C1C[C@]23CC[C@H]4[C@@](C)(C=O)CCC[C@]4(C)[C@@H]2CC[C@@H]1C3 100780684 JCAVDWHQNFTFBW-JIFZMYKYSA-N 286.459 5.154 30 1 CKEF endogenous,in-man CCC[C@H](C)C[C@@H](C)C[C@@H](C)C=C(C)C(=O)CC 2356558099 LRJDUFSHRXSRLR-RRFJBIMHSA-N 252.442 5.400 30 1 CKEF C=C1CCC=C(C)CC[C@](C)(CC=CC(C)(C)O)[C@H]2C[C@@H]12 2356584097 SPKCOCUHKUVJLN-BJLQDIEVSA-N 288.475 5.423 30 1 CKEF CC(C)=CCC[C@@H]1CC[C@@H](C=O)[C@](C)(CCC=C(C)C)C1 2356642283 BNZKPSOVNXOAIQ-HSALFYBXSA-N 290.491 6.101 30 1 CKEF C=C(C)[C@H]1CC=C(C)CCC=C(C)CCC=C(C)C(=O)C1 2356669970 URWYQDPLXNWTTC-IBGZPJMESA-N 286.459 5.941 30 1 CKEF C=C1CC[C@H]2[C@@H]3CCC4=CC(=O)CC[C@]4(C)[C@H]3CC[C@@]12C 2356712143 QXEURENTQIAFIS-HVTWWXFQSA-N 284.443 5.075 30 1 CKEF CCCCC/C=C/C/C=C/CC#CCCCCC(=O)O 85617521 UECZBRRJYAZMDX-AVQMFFATSA-N 276.420 5.108 30 1 CKEF CCCCCCCCC/C(C)=C\CCC(=O)OC 238768008 XUNSEKMKZUAZSC-SQFISAMPSA-N 254.414 5.027 30 1 CKEF CCCCCCCCCCN(CC#N)c1ccccc1 473113170 HTEDIDWHRPPLSO-UHFFFAOYSA-N 272.436 5.157 30 1 CKEF CC[C@H](C)c1ccc2[nH]c(-c3occc3C)c(C#N)c2c1 587640632 BWYHVITVCFFVAT-NSHDSACASA-N 278.355 5.122 30 1 CKEF CCCCCCCCSC(=O)/C=C/c1ccccc1 73139196 LPMVVAZSWAQZDB-BUHFOSPRSA-N 276.445 5.320 30 1 CKEF CCCCCCCC/C=C\c1c(C)cc2[n+](c1C)CCC2 84690506 DXDFWADNZLVOHG-KAMYIIQDSA-N 286.483 5.301 30 1 CKEF C=C1CC[C@H](O)C(C)=CCC2=CC[C@H](C(C)C)[C@@]2(C)CC1 2356788669 CHFOGWOZUPHEQF-AABGKKOBSA-N 288.475 5.423 30 1 CKEF C=C[C@]1(C)CC[C@]2(C)[C@H](CC[C@]3(C)C(=C)C(=O)C=C[C@@H]32)C1 2356794933 IFQOXYBOGBKXMZ-HKUYMTLNSA-N 284.443 5.097 30 1 CKEF C=CCCCCCC=CCCCCCCCCCC(=O)O 2356801214 QMXZBTGLQPSHEK-UHFFFAOYSA-N 294.479 6.275 30 1 CKEF C=C[C@]1(C)CCC2=C(CC[C@H]3[C@@](C)(O)CCC[C@@]23C)C1 209981925 OPDLKTZWBVRLFW-YRXWBPOGSA-N 274.448 5.010 30 3 CKEF CCCCCCCC[C@H](CC[C@@H]1CCCS1)C(=O)O 1911586433 YDLABGRXPUXZDJ-CABCVRRESA-N 286.481 5.114 30 1 CKEF C=C1CCC[C@]2(C)CC[C@@]3(O)[C@H]([C@H]12)[C@@H](C(C)C)CC[C@H]3C 2356805669 VJMPLXPIDRMPMX-JWLCQNFESA-N 290.491 5.192 30 1 CKEF C=C(C)[C@H]1C/C=C(\C)CC/C=C(\C)CC/C=C(\C)CC1 8234261 VWSPQDDPRITBAM-KPGNMOGWSA-N 272.476 6.762 30 1 CKEF in-vitro C=C[C@@](C)(O)CC[C@@]1(C)[C@H](C)CC[C@@]2(C)C(=C)CCC[C@H]12 13401891 VRKPTRXBPBHQJB-RMMWZPCPSA-N 290.491 5.502 30 1 CKEF C=C1CC[C@H]2C/C=C(\C)CC/C=C(\C)CC[C@H]1C2(C)C 59353040 FDBOKUQSBGGGJO-TXLKRMSRSA-N 272.476 6.452 30 1 CKEF C=C1CC[C@@H]2[C@H]1[C@H]1[C@@H]([C@@H](C)CC(=O)C=C(C)C)CC[C@@]21C 96086210 QCUYCSJANBKKLA-BSOGGFLPSA-N 286.459 5.176 30 1 CKEF in-vitro O=C1/C(=C/c2cccc(-c3ccccc3)c2)Cc2ccccc21 1857760799 PRBCSGVLMCEELP-XSFVSMFZSA-N 296.369 5.176 30 1 CKEF CCCCCCCCC=CCCC[C@H]1CCC[C@@H](C)N1 2356510744 KGZVUZULXQDUBG-MOPGFXCFSA-N 279.512 5.994 30 1 CKEF C=C1CCC[C@]2(C)C(=C(C)CC[C@H]2O)/C=C(/C(C)C)CC1 13379196 DSRPSPNOQNVOPZ-BJMJYPMESA-N 288.475 5.567 30 1 CKEF CCCCCCCCCCCCCC[S@](C)=O 34800288 KRUABTDBQQLWLS-QGZVFWFLSA-N 260.487 5.066 30 1 CKEF CCCCCCCCCCCCCC(=S)N/C=C/OC 73274898 LGZAMZLZMBGJPB-FOCLMDBBSA-N 299.524 5.722 30 1 CKEF O=C1CCCCCCC2=C1[C@@H](Sc1ccccc1)CC2 98065398 NBRLIHRSXFTTPT-KRWDZBQOSA-N 286.440 5.161 30 1 CKEF C=C1C[C@@]23CC[C@H]4[C@@](C)(CCC[C@@]4(C)CF)[C@@H]2CC[C@H]1C3 103144633 JSDHLTBTPZXXIB-GNVSMLMZSA-N 290.466 5.925 30 1 CKEF CC(C)(C)/C(O)=C/C=N/c1ccccc1Oc1ccccc1 104706747 OPZKYULILWULEG-ONPRKJMBSA-N 295.382 5.669 30 1 CKEF CCCCC/C=C\CCCC(=O)CCCCCCCCC 169622782 IQOHODMCQFHPFM-QBFSEMIESA-N 294.523 7.003 30 1 CKEF CCCCCC/C=C\C=C\[C@@H]1CCC[C@@H]2CCCN12 238778531 DQWGZHFKRYCJOQ-CWDKDYISSA-N 261.453 5.086 30 1 CKEF CCCCCCCCCCCc1nc(C(C)C)cs1 474609122 OHXYEMCTPBKATM-UHFFFAOYSA-N 281.509 6.340 30 1 CKEF C=C1C=C[C@@H]([C@H](C)CC(=O)CC(C)C)CCC(C)=CCC1 2356576316 WCPMPLJZWAHSJJ-RTBURBONSA-N 288.475 5.877 30 1 CKEF CCCCCCCC/C=C\CCC[C@@H]1CCC[C@@H](C)N1 86052470 KGZVUZULXQDUBG-CLUNNQHJSA-N 279.512 5.994 30 1 CKEF C=CCCCCC[C@@H]1O[C@@H]1C/C=C\CCCCC 195788153 QKWIFEQLRBYFGJ-OFQNWOQMSA-N 250.426 5.417 30 1 CKEF CCCCCCCCCCC/C=C\C=C\C(=O)OCC 85836357 QUHRGXQJTPAPQQ-PEMGLXIVSA-N 280.452 5.583 30 1 CKEF endogenous,in-man C=CC=CCC=CCC=CCCCCCCCCCCC 2356647805 HFDJMLREALXHAD-UHFFFAOYSA-N 288.519 7.542 30 1 CKEF C=C(C)C1=CC[C@]2(C)[C@@H]1CC[C@H](C)[C@@H]1CC[C@H](C)C[C@@H]12 2356816179 CYNMVKBMOIZMPF-KELLYURESA-N 272.476 5.997 30 1 CKEF CCC(=O)/C=C\C=C\C(C)=C\C=C\C=C\c1ccccc1 238787125 KMNUJIARVHVQCF-OHYFCVKWSA-N 278.395 5.294 30 1 CKEF C=CCCC[C@@H]1C(=C)CC[C@H]2[C@@]1(C)CCC[C@@]2(C)C(=O)O 2356449153 CQUKNNORHGLHKG-KCITZHQASA-N 290.447 5.206 30 1 CKEF CCCCCCCCCC[C@]1(CC)SC(O)=C(C)C1=O 101405295 GEYJYVHYWGKNMY-KRWDZBQOSA-N 298.492 5.771 30 1 CKEF CC[C@@H](C)c1ccc2[nH]c([C@H](C)CC)c(C#N)c2c1 587640901 GGDSJUZNNMNBSZ-VXGBXAGGSA-N 254.377 5.067 30 1 CKEF CCCCCCCCCCCC=C[C@H](O)CCCC 2356417727 KGMZHYFEPXCLEC-GOSISDBHSA-N 268.485 6.015 30 1 CKEF C=C(C)[C@@H]1CC=C(C)CC[C@@H]2O[C@]2(C)CCC=C(C)CC1 2356442244 UMSZXWFPQXNYPW-SLFFLAALSA-N 288.475 5.973 30 1 CKEF C=CC(=C)CC[C@@]1(C)[C@H](CO)CC[C@@]2(C)C(C)=CCC[C@@H]21 238734679 BFOZUIDQBHTIQO-MUGJNUQGSA-N 288.475 5.280 30 1 CKEF C=CCC[C@@]1(CCC)CC(=O)c2ccc3c(c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in-man CCCCCCC/C=C/CCCCCOC(C)=O 59725178 SBLGLBNKXWHUFO-MDZDMXLPSA-N 254.414 5.027 30 1 CKEF CCCCCCCC/C=C\CCCCCCCC(O)O 78094256 GIMSVYFIIWHJBJ-KTKRTIGZSA-N 284.484 5.335 30 1 CKEF CCCCCCC[C@H]1CCc2c(ccc3ccccc23)C1 238747120 RVUKGAJPLAVCAV-KRWDZBQOSA-N 280.455 6.305 30 1 CKEF CCc1ccc(-c2[nH]c3c(C)cc(Cl)cc3c2C#N)cc1 587625049 YZXXMFVMBKEHLG-UHFFFAOYSA-N 294.785 5.231 30 1 CKEF CCCCCCC=CC=C[C@@H]1CCC[C@@H]2CCCN12 2356408383 DQWGZHFKRYCJOQ-QZTJIDSGSA-N 261.453 5.086 30 1 CKEF CCCCCCC[C@@H]1C=CCCCCCCCC(=O)O1 2356577529 GNBBSCLQJJURKI-QGZVFWFLSA-N 280.452 5.559 30 1 CKEF CCCCCCC=CCCCCCC(=O)O[C@H](C)CC 2356667828 RBSDKFRRNIJFNR-QGZVFWFLSA-N 282.468 5.805 30 1 CKEF CCCCC/C=C\C/C=C\CC#CCCCCC(=O)O 38789095 UECZBRRJYAZMDX-HZJYTTRNSA-N 276.420 5.108 30 1 CKEF in-vitro C=C(C)/C1=C\C=C(\C)CC/C=C(\C)C[C@@H]2C=C(CC1)C(=O)O2 100092019 KGUUUDYKWYRRMZ-VIQXUYFPSA-N 298.426 5.197 30 1 CKEF in-vitro CCCCCC/C=C\CCC(=O)CCCCCCC 114638102 LOKJWEJWAVZFDE-QBFSEMIESA-N 266.469 6.223 30 1 CKEF CCC=CC[C@H]1O[C@H]1CC=CCCCCCCC 2356478559 IRQMBAZFZUBVIJ-SJORKVTESA-N 250.426 5.417 30 1 CKEF CC1=CCc2oc(cc2C)C(=O)C(C)=C[C@@H]2[C@@H](CC1)C2(C)C 2356516347 VDVPKUSTQHVPTA-HZPDHXFCSA-N 298.426 5.272 30 1 CKEF C=CC(=C)CC[C@@H]1C(=C)CC[C@@H]2C(C)(C)CCC[C@@]12C 238742689 KYLKKZSVPLUGCC-GGPKGHCWSA-N 272.476 6.308 30 1 CKEF C=C(C)[C@@H]1CC[C@]2(C)CC([C@@H](C)CCC=O)=C(C)CC[C@H]12 2356473603 KIYQGIHXABMIHF-SMMRIJLZSA-N 288.475 5.711 30 1 CKEF CCCCCC#CCC=CCCCCCCCC(=O)OC 2356609909 PBUBQZYMYOKABE-UHFFFAOYSA-N 292.463 5.420 30 1 CKEF C=C1CC[C@@H]2C(C)(C)CCC[C@@]2(C)[C@@H]1CCC(C)=CCO 2356634855 NERNKRPBSOBEHC-GGPKGHCWSA-N 290.491 5.504 30 1 CKEF C=C(C)[C@@H]1C/C=C(\C)CC/C=C(\C)CC/C=C(\C)[C@@H](O)C1 34827646 CVITZXGTBCOBPR-VEELKJHVSA-N 288.475 5.733 30 1 CKEF C=C[C@@](C)(O)CCC1=C(C)C=C[C@H]2C(C)(C)CCC[C@]12C 85994008 LIRQKICEEKZIDX-DFQSSKMNSA-N 288.475 5.423 30 1 CKEF CCCCCCCCCC#CCCCCCCC(=O)O 102182151 UMMVRDLPKAVUII-UHFFFAOYSA-N 280.452 5.556 30 1 CKEF CCC=CC[C@H]1O[C@@H]1CC=CCCCCCCCC 2356463942 RSWYJAMVUDLFEQ-QZTJIDSGSA-N 264.453 5.807 30 1 CKEF CCCCCCCCC=CCCC=CCCCC(=O)O 2356624470 DFJAXEWDHVOILU-UHFFFAOYSA-N 280.452 5.885 30 1 CKEF C=C[C@@](C)(O)CC/C=C(\C)CC[C@@H]1C(=C)CCCC1(C)C 13430009 YDCKEBYQGRQLLJ-LZXFPAALSA-N 290.491 5.813 30 1 CKEF CCCCCCC[C@@H](C)CCC[C@@H](C)CCC(=O)O 102180667 DNABEQSTCCBXAX-HZPDHXFCSA-N 270.457 5.654 30 1 CKEF C=C(C)[C@@H]1CC/C(C)=C/CC/C(C)=C\CC[C@]2(C)O[C@H]2C1 136126615 KEOMEGAHKSPEBP-ZEWQWQJNSA-N 288.475 5.973 30 1 CKEF CC/C=C\C/C=C\C[C@H]1O[C@H]1CCCCCCC 169622801 XKXHPEFHBVBMGF-GZHXUFTCSA-N 250.426 5.417 30 1 CKEF C=C[C@]1(C)CC[C@@]2(O1)C(=C)C=C[C@H]1C(C)(C)CCC[C@@]12C 238753076 SUQMNEGILGBIME-OJAHFUOMSA-N 286.459 5.439 30 1 CKEF C=C(C)[C@@H]1CC=C(C)CC[C@@H]2O[C@@]2(C)CCC=C(C)CC1 2356442245 UMSZXWFPQXNYPW-UFYCRDLUSA-N 288.475 5.973 30 1 CKEF C=C1CC2(CCCC2)[C@@H]2O[C@]2(C)CC[C@@H]2[C@@H]1CC2(C)C 85547341 SKACGHBFHPLYKX-YFHUEUNASA-N 274.448 5.107 30 1 CKEF biogenic,in-vitro C[C@]12C[C@H]1CC[C@@]1(C)C3=CC[C@](C)(CC=O)C[C@H]3CC[C@H]21 140941990 BCKQSEXULHMIJG-ZPNQOMQUSA-N 286.459 5.154 30 1 CKEF C=C1CC/C=C(/C)C[C@@H](O)C2=C(C)CC[C@@H](CC1)C2(C)C 169290772 BVJVBWNCZZIHMV-JADFEHNVSA-N 288.475 5.567 30 1 CKEF C=C(C)[C@]1(O)CC[C@]2(C)CC=C(C)CCC=C(C)CC[C@H]12 2356333128 NUHPZDOCKJPIPC-SLFFLAALSA-N 288.475 5.567 30 1 CKEF CCC/C=C/C=C\C/C=C\CCCCCCCCC 169622545 NGBDUKKBGSGZKF-YMPQUYFASA-N 262.481 6.986 30 1 CKEF C=C[C@]1(C)C=C2CC[C@@H]3[C@](C)(C=O)CCC[C@]3(C)[C@H]2CC1 238748311 JKBKXKTXDKYEOR-LJDSDSDDSA-N 286.459 5.321 30 1 CKEF C=C(C)[C@@H]1C[C@H](O)[C@@]2(C)CC=C(C)CCC=C(C)CC[C@H]12 2356553417 YUHFWLZIGAFAIH-YRPNKDGESA-N 288.475 5.423 30 1 CKEF C=CCCCC[C@H]1CC[C@H](CCCCCCCCC)N1 36294959 VJYHAIYEEJOCLT-OALUTQOASA-N 279.512 5.994 30 1 CKEF in-vivo C=C[C@]1(C)CC[C@@H](C(=C)CNCCCC)C[C@H]1C(=C)C 40934205 RMVCJTAHTMLIST-CEXWTWQISA-N 275.480 5.117 30 1 CKEF CCCCCCCCCCCOC(=O)c1cccc(O)c1 43409105 MCMJWAJVYZBDBY-UHFFFAOYSA-N 292.419 5.080 30 1 CKEF C=CCc1cccc2nc(/C=C(\C)CCC=C(C)C)[nH]c12 587968421 QCALDNLFISCDBZ-FYWRMAATSA-N 280.415 5.441 30 1 CKEF CCC=CC[C@H]1O[C@H]1CC=CCCCCCCCC 2356463941 RSWYJAMVUDLFEQ-MSOLQXFVSA-N 264.453 5.807 30 1 CKEF C=C1CC[C@@H]2[C@@H]1[C@@H]1[C@H]([C@H](C)CC[C@@H]3OC3(C)C)CC[C@]12C 2356806600 VVQIFPRLGRFWTH-XEJUTFSQSA-N 288.475 5.209 30 1 CKEF C=C[C@]1(C)CC[C@@H]2C(=CC[C@@H]3C(C)(C)CC[C@H](O)[C@]23C)C1 2356752216 QSKBCOXQCVLBON-HPUSYDDDSA-N 288.475 5.112 30 1 CKEF CC/C=C(/C)CCCCCCCCCCCCCC 100305012 OKFARPKORSESQZ-ZPHPHTNESA-N 266.513 7.434 30 1 CKEF C=C1CC/C=C(/C)C/C=C2/[C@H](C(C)C)CC[C@@]2(C)C[C@@H]1O 169370905 LVJSJETVMXBUIN-LPULJROQSA-N 288.475 5.423 30 1 CKEF C[C@H](C#N)c1c(-c2ccccc2)[nH]c2cc(Cl)c(F)cc12 587631003 UHVULJLJXOFGSN-SNVBAGLBSA-N 298.748 5.254 30 1 CKEF C=C[C@H]1CC[C@@H]2[C@@H]3CCC4=CC(=O)CC[C@]4(C)[C@H]3CC[C@]12C 2356552802 CSFSHOOQUIPHRO-FXCJMKEASA-N 298.470 5.321 30 1 CKEF C=C[C@@]1(C)CCC=C2[C@H]1CC[C@@H]1[C@](C)(CO)CCC[C@@]21C 13539355 CUTPENJABFLFPT-LGKHCZOZSA-N 288.475 5.114 30 1 CKEF C=C(CO)[C@H]1C/C=C(/C)CC/C=C(/C)CC/C=C(/C)CC1 33955822 MQZXPSOBCLRACA-ZHVSGATLSA-N 288.475 5.734 30 1 CKEF CCCCCCCCCCCCCCc1ccc(C=O)[nH]1 49775066 VRWBBCYCUOMPBF-UHFFFAOYSA-N 291.479 6.071 30 1 CKEF C=CCCCC[C@H]1CCC(CCCCCCCCC)=N1 85866610 OATZINGONWAXGM-SFHVURJKSA-N 277.496 6.477 30 1 CKEF CCCCC/C=C\C/C=C\[C@H](O)CCCCCCCCC 169622242 HLRILOHBDLRFQX-VLBIZXNYSA-N 294.523 6.571 30 1 CKEF C=C(CCC=C(C)C)[C@H]1CCC(C)=CCCC(=C)[C@@H]1CO 2356733942 HHVRAMGRJIPOAE-UXHICEINSA-N 288.475 5.590 30 1 CKEF CCCCCCCCCCCCCCC=CCC(=O)O 2356753502 DLPRXTUOPLIHNV-UHFFFAOYSA-N 282.468 6.109 30 1 CKEF C=C(CCC=C(C)C)[C@H]1CC[C@]2(C)CCCC(=C)[C@H]2C1 72124305 LOGCGPRBNXVHDX-ZCNNSNEGSA-N 272.476 6.452 30 1 CKEF in-vitro CCCCCCCCCC[C@@H](C)CCC[C@@H](C)C(=O)O 102180681 AIJKUSCCAPFTGP-IAGOWNOFSA-N 284.484 6.044 30 1 CKEF C=C1CCC2=C(CC[C@H]3[C@@](C)(CO)CCC[C@]23C)C[C@@H]1C 238738076 IKNLTNZCCJZSAP-KCUHQSDYSA-N 288.475 5.258 30 1 CKEF C=CC(C)=CC[C@@H]1C(=C)CC[C@H]2C(C)(C)CCC[C@@]21C 2356425993 VJVMMXUPZGOBSN-WSTZPKSXSA-N 272.476 6.308 30 1 CKEF C=C1CC[C@@H]2[C@H]([C@@H]3C[C@H](C)C[C@@H]13)[C@@]2(C)C1CCCCC1 2356774722 CCAOEVWDWKOAIX-DSEWIPHFSA-N 272.476 5.831 30 1 CKEF C=C[C@@H](C)CCCCCC[C]1C=CC(C)=C2CCCN12 2356810323 IAPLAMLMEPZKHA-MRXNPFEDSA-N 272.456 5.621 30 1 CKEF CCCCCCCCCCCCC[C@@H](COC)OCC 85493579 IEBFKMCVLFMDFP-SFHVURJKSA-N 286.500 5.739 30 1 CKEF biogenic,in-vitro CCCCCCCC(C)=CCC=CCCCCC(=O)O 2356307153 NLLXZPYTGITPRG-UHFFFAOYSA-N 280.452 5.885 30 1 CKEF Cc1ccc2snc(/N=C\c3ccccc3Cl)c2c1 3585686 GVXQOJBRPJRCQP-MFOYZWKCSA-N 286.787 5.009 30 1 CKEF C=C1CCC[C@]2(C)c3ccc(C(C)C)cc3CC[C@@H]12 43322423 ZPQHNIHJSIZREW-HKUYNNGSSA-N 254.417 5.370 30 1 CKEF endogenous,in-man CCCCCCCCCCCc1ccc(O)c(OC)c1 43274135 OWRUTPCVHCWJSB-UHFFFAOYSA-N 278.436 5.474 30 1 CKEF C=C[C@@]1(C)CC[C@H]2C(=CC[C@@H]3[C@](C)(CO)CCC[C@@]32C)C1 59213489 DUEINKIQNGZKPL-LJDSDSDDSA-N 288.475 5.114 30 1 CKEF in-vitro C=C[C@@]1(C)CC[C@H]2C(=CC[C@@H]3C(C)(C)CCC[C@]23C)C1 95661254 VCOVNILQQQZROK-KVPLUYHFSA-N 272.476 6.142 30 1 CKEF in-vitro CCCCCCC[C@@H](CCC1CCCC1)C(=O)O 197635217 ZBKYVSKLBCIHDI-HNNXBMFYSA-N 254.414 5.018 30 1 CKEF CCCCCCCCC=C(C)CCCCCC(=O)OC 2356442252 UXARGKMOHWLZFD-UHFFFAOYSA-N 282.468 5.807 30 1 CKEF CC/C=C\C/C=C\CCCCCCCCCCCCC 148998438 HRODFGUFDBTUDP-DPTWWRMPSA-N 278.524 7.600 30 1 CKEF C[C@H]1CC[C@H](C(C)(C)S)c2nc3cccc4c3c(c21)CC4 587216550 FGZOHOWVCJOIGM-FZMZJTMJSA-N 297.467 5.023 30 1 CKEF C=C[C@]1(C)CCC2=C(CC[C@@H]3[C@@](C)(CO)CCC[C@]23C)C1 17214107 KVGUVNVWQKGXAA-UAFMIMERSA-N 288.475 5.258 30 1 CKEF C=C1CC/C=C(/C)CC[C@](C)(C/C=C/C(C)(C)O)[C@H]2C[C@H]12 139088378 SPKCOCUHKUVJLN-KBPOYXTOSA-N 288.475 5.423 30 1 CKEF C=C(C)[C@H]1CC[C@@]2(C)C(=C(C)C=CC23CCCC3)C1 2356528476 XFGUNILNKVCSGM-WMZOPIPTSA-N 256.433 5.816 30 1 CKEF C=C(C)[C@H]1CC[C@]2(C)C/C=C(\C)CC[C@@H]3O[C@@]3(C)CC[C@@H]12 15146820 QYPBSHVQNJCZQA-SJCKPFSWSA-N 288.475 5.663 30 1 CKEF CCCCCCCCCCCCC(=O)C=CCCC(=O)O 2356825075 HBQAEEXTJXZQPO-UHFFFAOYSA-N 296.451 5.288 30 1 CKEF CC(C)CCC[C@@H](C)[C@H]1CC=C2C(=O)CCC[C@@]21C 34558663 DHJHEUURYRKYAI-IIDMSEBBSA-N 262.437 5.154 30 1 CKEF CCC/C=C\C#CC/C=C\CCCCCCCC(=O)OC 38439558 USBZFWQXGSXWSF-VIFBMRGNSA-N 290.447 5.196 30 1 CKEF CCCCCCCCCC[n+]1ccc2ccccc2c1 116108453 ISHVVILVTCSSDW-UHFFFAOYSA-N 270.440 5.268 30 1 CKEF CCCCCCCCc1ccc([C@H]2CC[C@H](N)CC2)cc1 254120089 QFIGNJUWQPOESW-MXVIHJGJSA-N 287.491 5.575 30 1 CKEF CC1=CCC(=O)C(C)=C[C@H]2[C@H](CCC(C)=CCC1)C2(C)C 2356496317 UJRRNBNNVPPTBX-ROUUACIJSA-N 286.459 5.631 30 1 CKEF C=C[C@]1(C)CC[C@@H]2[C@H](CC[C@@H]3C(C)(C)CCC[C@]23C)O1 2356586022 JOTSQVNPXHLILH-LMCLKVLCSA-N 276.464 5.353 30 1 CKEF C=C[C@@]1(C)CC[C@H]2[C@@H](C1)[C@H](O)C[C@H]1C(C)(C)CCC[C@]21C 238745876 HSBPTXURDITOSN-DZXGNUPDSA-N 290.491 5.192 30 1 CKEF CC[C@H](C)c1ccc2[nH]c(C)c([C@@H]3[C@H](CC#N)C3(C)C)c2c1 587642446 LYMVWMJMHCIFTQ-UVIMBBFXSA-N 294.442 5.643 30 1 CKEF C=C[C@]1(C)CC[C@]2(C)C3=CCC[C@](C)(CO)[C@@H]3CC[C@@H]2C1 2356560407 YQXKHENEQRLREB-BDUQCRIQSA-N 288.475 5.114 30 1 CKEF C=C[C@]1(C)CC[C@H](C(C)=CC[C@@H]2OC2(C)C)C[C@@H]1C(=C)C 2356663631 PLMPUHCOGGTVIR-HLNWXESRSA-N 288.475 5.685 30 1 CKEF CCCCCCCCCCCCCCCCCC[C@H](C)O 78239689 RHEVFAMQJMWLFS-FQEVSTJZSA-N 298.555 7.019 30 1 CKEF CCCCCCCCCC[C@@H]1O[C@@H]1CCCCCC 79604572 ABMJUFOPOPEJRG-MSOLQXFVSA-N 268.485 6.255 30 1 CKEF CCCCCCCCCCCC=C=C[C@H]1C[C@@H]1C(=O)O 238744995 UJLCTWQAXHCCFC-LMARGRMVSA-N 278.436 5.339 30 1 CKEF C=C[C@]1(C)C=CC2=C(C1)C(=O)C[C@@H]1C(C)(C)CCC[C@@]21C 2356340892 AGQRSFTXLNSAFT-RLLQIKCJSA-N 284.443 5.241 30 1 CKEF C=C(C)[C@H]1CC=C(C)C[C@H]1c1c(O)cc(CCC)cc1O 2356376211 ORIYPICUSOGUOA-HZPDHXFCSA-N 286.415 5.066 30 1 CKEF CCC=CC#CCCCCCCCCCCOC(C)=O 2356626800 JMXCLEFVXYXEQH-UHFFFAOYSA-N 278.436 5.030 30 1 CKEF CC1=CCC[C@@]2(C)O[C@@H]2CCC(C)=CC=C(C(C)C)CC1 2356671305 UIFUEZJMOQTFLI-WOJBJXKFSA-N 288.475 5.973 30 1 CKEF CCCCCCCN(CC)C/C=C/Cc1ccccc1 103242411 IEBPXKBSRQKVOZ-ACCUITESSA-N 273.464 5.078 30 1 CKEF C=C1C[C@@]23CC[C@@H]4[C@@](C)(CCC[C@@]4(C)C=O)[C@@H]2CC[C@@H]1C3 113440992 JCAVDWHQNFTFBW-UHBLESBASA-N 286.459 5.154 30 1 CKEF C=C(C)[C@H]1C[C@H](O)[C@]2(C)C/C=C(/C)CC/C=C(/C)CC[C@@H]12 169338394 YUHFWLZIGAFAIH-HABJYAQSSA-N 288.475 5.423 30 1 CKEF CC/C=C\C/C=C\C[C@@H]1O[C@@H]1CCCCCCCCCC 169622818 XXOTXZKHNZSWSZ-RYKHLLNTSA-N 292.507 6.587 30 1 CKEF CCCCCCCCCC(=O)C=CC=CCCCC(=O)O 2356400244 UXONISNZWGFLGH-UHFFFAOYSA-N 294.435 5.064 30 1 CKEF CCCCCCCC(=O)O[C@H]1C[C@@H](C)CC[C@@H]1C(C)C 70455180 YBENVMAMNHOPRF-BBWFWOEESA-N 282.468 5.351 30 1 CKEF biogenic,in-vitro C=CCc1ccc(O[C@H]2C[C@@H](C)CC[C@@H]2C(C)C)cc1 70455182 VTHQEGHKIDKAOM-IPELMVKDSA-N 272.432 5.255 30 1 CKEF biogenic,in-vitro CCCCCCCCCCC[C@H](C)CCCC(C)C 114360371 RHDKKTYWDZUSCS-IBGZPJMESA-N 268.529 7.370 30 1 CKEF in-vitro C=C1C(=O)[C@@]23CC[C@@H]4C(C)(C)CCC[C@@]4(C)[C@@H]2CC[C@@H]1C3 137494534 QDDOPNSTHQXUQO-AOHSKODXSA-N 286.459 5.154 30 1 CKEF C=CCc1ccc(OCCCCCCCC)c(OC)c1 1857634029 NOGKGGUHBPKNIZ-UHFFFAOYSA-N 276.420 5.163 30 1 CKEF C=C1C=C2C3(CCCC3)CC[C@H](C)[C@]2(C)[C@@H]2[C@@H]1C2(C)C 2356372978 PUBDYWLCNINXPO-WFEDQXDTSA-N 270.460 5.751 30 1 CKEF CCCCCCCC=CCCCCCOC(C)=O 2356444327 SBLGLBNKXWHUFO-UHFFFAOYSA-N 254.414 5.027 30 1 CKEF Cc1ccc2snc(/N=C\c3cccc(Cl)c3)c2c1 3585680 AQGFOYOTRIBVAL-MFOYZWKCSA-N 286.787 5.009 30 1 CKEF CCCCCCCCCCCCC#CC(=O)C(F)(F)F 100303281 FRAAFKLTGDFSIA-UHFFFAOYSA-N 290.369 5.432 30 1 CKEF CCCCCCCCC/C=C\CCCCCC(=O)O 102181818 FJMPAYNWWWCODA-KHPPLWFESA-N 268.441 5.718 30 1 CKEF CCCCCCCCC(=O)/C=C/CCCCCCC(=O)O 137091490 SKIQULSONATZGK-NTCAYCPXSA-N 296.451 5.288 30 1 CKEF C=C(CCC=C(C)C)CCC[C@@H](C)c1ccc(C)cc1 238737555 SETKZVHVLFQBFS-LJQANCHMSA-N 270.460 6.571 30 1 CKEF C/C1=C/C=C(\C(C)C)CC[C@@]2(C)O[C@@H]2CC/C(C)=C/CC1 238767299 DTXHLWUSJGTDSH-IUEDAUGESA-N 288.475 5.973 30 1 CKEF CCCCCCCCCCCCCCC[C@H](C)CO 98209038 DMNPDGLMNXDSPT-SFHVURJKSA-N 270.501 6.096 30 1 CKEF in-vitro CC1=C(O)[C@@](C)(CC[C@H](C)CCCC(C)C)SC1=O 100235715 FCKHERBKHBMICQ-MLGOLLRUSA-N 284.465 5.093 30 1 CKEF CCCCCC/C=C\CCCCCCCCCCC(=O)O 169621937 UZIIAZIXTSAEPN-FPLPWBNLSA-N 296.495 6.499 30 1 CKEF C#CC=CCCCCCCCCCC=CC#CC#CCC#C 2356474923 IYLMQWZOJMUGLG-UHFFFAOYSA-N 290.450 5.273 30 1 CKEF C=C1C[C@@]2(C)CCC=C(C)CCC=C(C)CC[C@H]1C[C@@H]2O 2356563885 DCHZNDZNPHHRQP-SLFFLAALSA-N 288.475 5.567 30 1 CKEF C=C[C@@]1(C)CC=C2[C@@H](CC[C@H]3[C@](C)(CO)CCC[C@@]23C)C1 27099814 YSFNIVKHYKBKHI-JBDAPHQKSA-N 288.475 5.114 30 1 CKEF CCCCCCCC[C@@H](CCCC)c1ccccc1 95914311 MZTIRLOLMGVVEK-GOSISDBHSA-N 260.465 6.711 30 1 CKEF biogenic,in-vitro C=C[C@]1(C)C=CC2=C(C1)C(=O)C[C@H]1C(C)(C)CCC[C@@]21C 2356340893 AGQRSFTXLNSAFT-SXLOBPIMSA-N 284.443 5.241 30 1 CKEF CCCCCCCC/C=C/[C@H](O)CCCCCCC(=O)O 70457414 JEXIZLHRWZNJIX-WKOYGUFESA-N 298.467 5.079 30 1 CKEF biogenic,in-vitro CCCCCC/C=C\CCC/C=C\CCC(=O)O 238745101 MWWJUGYCQPPIDQ-QOTUMQCOSA-N 252.398 5.104 30 1 CKEF CC[C@H](C)c1ccc2[nH]c([C@@H](C)CC)c(C#N)c2c1 587640900 GGDSJUZNNMNBSZ-RYUDHWBXSA-N 254.377 5.067 30 1 CKEF C=C[C@@H]1CC[C@@H]2[C@](C)(CC[C@@H]3C(C)(C)CCC[C@]23C)OC1 2356424667 RVZMQOMNZXTONL-JOMPHRNESA-N 290.491 5.600 30 1 CKEF C=C(CC=CC(C)(C)O)[C@@H]1CC[C@]2(C)C=CC=C(C)[C@H]2C1 2356732984 MTVZOJVTVZWEBK-GGPKGHCWSA-N 286.459 5.199 30 1 CKEF C=CCCCCCCC[C@@H]1CC[C@@H]2CC[C@H](C=CC)N12 2356478418 CZRRGBQGVWOIRS-OTWHNJEPSA-N 275.480 5.475 30 1 CKEF CCCC=CCCCCCCCCCCCCCCC 2356545432 JNJORAHCAOYOLJ-UHFFFAOYSA-N 280.540 7.824 30 1 CKEF CCCCCCCCCc1c(C)[nH]c2ccccc2c1=O 1872978 IHLRPRIWOWIFKK-UHFFFAOYSA-N 285.431 5.130 30 1 CKEF C=C[C@@](C)(/C=C/c1ccc(OCC)cc1)CCC=C(C)C 29051567 YMUXTTVGTPYRPO-KETLNSEPSA-N 284.443 6.037 30 1 CKEF CCCCCCCC/C=C\CCCCCCCCC=O 59725612 DXAFFKRBQLZTCN-KTKRTIGZSA-N 280.496 6.613 30 1 CKEF C=C1C=C2C3(CCCC3)CC[C@@H]3CC=C[C@]4([C@@H]1C4(C)C)[C@]23C 2356355889 WKMRPCTUIWAAGC-JXYHXMIBSA-N 294.482 6.062 30 1 CKEF CCCCCCCCCCCC/C=C\CCCCC(=O)O 111359440 CACIOTGFGVZSRC-YPKPFQOOSA-N 296.495 6.499 30 1 CKEF COc1ccc(Cl)cc1C#C/C(C)=C/CCC(C)C 587899249 YKPHDXLHYNSKAA-VGOFMYFVSA-N 276.807 5.083 30 1 CKEF C=C1CCC=C(C)CC[C@@H]2[C@@H]1C[C@]2(C)CC[C@H]1OC1(C)C 2356549512 DZMXLXZJXQGYQL-MLYOOKFZSA-N 288.475 5.663 30 1 CKEF C=C(CCC=C(C)C)[C@@H]1CC[C@@]2(C)CCCC(C)=C2C1 2356431751 CYHWNHHPEIUYBV-UYAOXDASSA-N 272.476 6.596 30 1 CKEF CCCCCCCC=C[C@@H](C)CCCCCC(=O)O 2356437169 JDTHUXUAMUINHB-MRXNPFEDSA-N 268.441 5.574 30 1 CKEF CC(C)C1=CC2=CC[C@H]3[C@@](C)(C=O)CCC[C@@]3(C)[C@@H]2CC1 14410389 HOFSYSONRIGEAC-WCIQWLHISA-N 286.459 5.321 30 1 CKEF endogenous,in-man CCCCCC/C=C\CC/C=C\CCCC(=O)O 44403998 FHLHSNNZRDBQGE-MQEUWQHPSA-N 252.398 5.104 30 1 CKEF CCCCCCCCC#C/C=C\CCCCCC(=O)O 49867793 BWSIKEZDJMZITO-QXMHVHEDSA-N 278.436 5.332 30 1 CKEF biogenic,in-vivo CCCCCCCCCCCC/C=C\CCOC(C)=O 59725332 NJOIVGUNXAPULH-PFONDFGASA-N 282.468 5.807 30 1 CKEF C=C1CC[C@H](O)[C@]2(C)CCC3=C(C(C)C)CC[C@@]3(C)C[C@@H]12 85661015 CRZCREAOZGZNGX-LWYYNNOASA-N 288.475 5.256 30 1 CKEF CCCCCCCCCCCCOc1ccc(C(=O)O)o1 114985409 AAVFFCPJRORQSV-UHFFFAOYSA-N 296.407 5.278 30 1 CKEF C=CC(C)=CC[C@@H]1C(=C)CC[C@@H]2C(C)(C)[C@H](O)CC[C@@]21C 2356491833 QSFSRHYSSAIFJK-SOAMZJECSA-N 288.475 5.278 30 1 CKEF CCCCCCC(=O)C=CCCCCCCCCC(=O)O 2356506276 HOGGRKZIIRPLLG-UHFFFAOYSA-N 296.451 5.288 30 1 CKEF CCCCCCCCCCCCCNc1ncccn1 66100296 CZRQPNBLSASRMU-UHFFFAOYSA-N 277.456 5.200 30 1 CKEF C=CC(=C)CC[C@H]1C(=C)CC[C@H]2C(C)(C)CCC[C@]12C 85599108 KYLKKZSVPLUGCC-CMKODMSKSA-N 272.476 6.308 30 1 CKEF in-vitro CCCCCCCCCO[C@H]1CC[C@@H](CCCCC)O1 221020598 GGWCSXQLDGOTLY-QZTJIDSGSA-N 284.484 5.839 30 1 CKEF CC[C@H](c1ccc(O)cc1)[C@@H](CC)c1ccc(N=[N+]=[N-])cc1 27520353 DKJFDRZKKTWMCP-ZWKOTPCHSA-N 295.386 6.021 30 1 CKEF CCCCCCCC/C=C\C/C=C\C[C@H]1O[C@H]1CC 169622810 YBICCWVMVPFDAY-RRDYWECWSA-N 264.453 5.807 30 1 CKEF CC(C)C1=C[C@@H]2C=C[C@H]3[C@](C)(C=O)CCC[C@]3(C)[C@H]2CC1 238735196 CQHXWPMUHGVWES-VYJAJWGXSA-N 286.459 5.176 30 1 CKEF CC1=CC[C@H]2C(=C[C@@H]1C)CC[C@@H]1[C@](C)(C=O)CCC[C@@]12C 238758280 VCUHLFQRJCWTIG-MVBLQPKNSA-N 286.459 5.321 30 1 CKEF C=C(C)[C@@H]1CC[C@]2(C)C(=C(C)C=C[C@]23CC[C@@H](CO)C3)C1 2356352263 QDWQGUANFJRUEY-HNBVOPMISA-N 286.459 5.034 30 1 CKEF C=C1C[C@@](C)(C=CC=CCCCCCCCC)OC1=O 2356456415 CIUVHSRFRVWPDP-GOSISDBHSA-N 276.420 5.111 30 1 CKEF CCCCCCCCC=CCCCc1cc(O)cc(O)c1 2356462531 VWNLWIMAWQKPOV-UHFFFAOYSA-N 290.447 5.727 30 1 CKEF C=C(C)[C@@H]1CC[C@]2(C)C=C[C@H](C)CC[C@@H]3O[C@]3(C)CC[C@@H]12 2356796057 MTLRNGHCXWMGRJ-MPRNQXESSA-N 288.475 5.519 30 1 CKEF C=CCn1c(O)c(N=Nc2ccccc2C)c2ccccc21 299812912 OAIQLKJGMQPVGH-UHFFFAOYSA-N 291.354 5.257 30 1 CKEF C=CCCCC[C@H]1CCC2CC[C@@H](CCCCC=C)N21 1628931 ALDGBHHVYHPHIJ-DFNIBXOVSA-N 275.480 5.475 30 1 CKEF C=C/C(C)=C\C[C@H]1C(=C)CC[C@H]2C(C)(C)CCC[C@]12C 85599157 VJVMMXUPZGOBSN-LZCWJKKXSA-N 272.476 6.308 30 1 CKEF C=C1CC[C@H]2C(C)(C)CCC[C@]2(C)[C@H]1CC[C@@H](C)CCO 85994746 MRGUZWPTZWRQKP-HGKSCXNLSA-N 292.507 5.584 30 1 CKEF C=C(C)[C@@H]1CC[C@]2(C)[C@H]1CC[C@]1(C)C[C@@H]3O[C@]3(C)CC[C@@H]12 238753275 BJFZGSGLSFPCRM-MQOFPFBISA-N 288.475 5.353 30 1 CKEF C=C1C[C@@]23CC[C@H]4C(C)(C)CCC[C@]4(C)C2=CC[C@H]1C3 2356562385 RUTQZFCOTBYTMG-CPLUKWAASA-N 270.460 5.896 30 1 CKEF C=C[C@@](C)(O)CC[C@@]1(C)[C@@H](C)CC[C@]2(C)C(C)=CCC[C@@H]21 13401834 YBDUXZKWDIUNSG-OMZCGLGVSA-N 290.491 5.502 30 1 CKEF in-man C=C1CC[C@@H]2[C@H]([C@H]3[C@@H]1CC[C@]3(C)O)[C@@]2(C)CCC=C(C)C 69481868 GDDLDYAOHQKMAN-YRYYUTHUSA-N 288.475 5.112 30 1 CKEF biogenic,in-vitro C/C=C/C(=O)[C@@H](CC)CCCCCCCCCC 85734241 OZIVVSOLXDKYGS-RNDAEWJDSA-N 252.442 5.689 30 1 CKEF CCCCCCCCCCCC[C@@H](C)C/C=C(\C)C(=O)O 102180963 LSSLOHSHEPXVOI-GROYHEBESA-N 296.495 6.355 30 1 CKEF CCCCCCCC=CCC=CC[C@H]1O[C@H]1CC 2356428723 VDCIZKQRWVMECW-DLBZAZTESA-N 250.426 5.417 30 1 CKEF C=C[C@](C)(CCO)[C@@H]1C(=C)CC[C@H]2C(C)(C)CCC[C@@]21C 2356623376 FZKQLBVGTCCWMH-XEYPJELSSA-N 290.491 5.360 30 1 CKEF C=C[C@]1(C)CC[C@@H](C(=C)COCCCC)C[C@H]1C(=C)C 40845705 RPJWMSVWMBCLEL-CEXWTWQISA-N 276.464 5.544 30 1 CKEF C=C(C)[C@H]1CC[C@]2(C)C/C=C(\C)CC/C=C(\C)CC[C@@H]12 102814309 KZHMFCYCMBPVGZ-JFZLUAFOSA-N 272.476 6.452 30 1 CKEF CCCCCCCCS[C@@H](CCC)C(=O)C(F)(F)F 103184538 QFBLAZRMMMFKEG-LBPRGKRZSA-N 298.414 5.380 30 1 CKEF C=C(C)[C@@H]1CC[C@@]2(C)[C@@H]3CC[C@](C)(O)C=C[C@@]3(C)CC[C@H]12 144314214 RKCZDGJPJJXXLC-GPBSYSOESA-N 288.475 5.112 30 1 CKEF C=C(C)[C@@H]1C=C(C(C)C)CCC(C)=CCC[C@H](C)CC1=O 2356432380 ZJQBKSBFISFIPH-HKUYNNGSSA-N 288.475 5.877 30 1 CKEF CCCCCC=CC[C@@H]1O[C@@H]1CCCCCCCC(=O)O 2356580918 FBUKMFOXMZRGRB-DLBZAZTESA-N 296.451 5.096 30 1 CKEF CCCCCCCNc1c2c(nc3ccccc13)CCCC2 14947238 HQRYMINYXXVYNF-UHFFFAOYSA-N 296.458 5.496 30 1 CKEF C=CCCCCCCCCCCCCCC[C@H](C)CC 85599370 NRDJNVMOHMXHHB-HXUWFJFHSA-N 280.540 7.680 30 1 CKEF in-vitro C=CC(C)=CC[C@@H]1C(=C)CC[C@@H]2C(C)(C)[C@@H](O)CC[C@@]21C 2356491830 QSFSRHYSSAIFJK-FTEYMNFISA-N 288.475 5.278 30 1 CKEF C=C[C@]1(C)CC[C@]2(C)[C@H](O1)[C@@H]1C[C@@H]1[C@]2(C)CCC=C(C)C 2356804626 ZILNHCOODOJRFM-RKGSWTEASA-N 288.475 5.519 30 1 CKEF CCCCCCCCCNc1cccc(-c2ccccc2)c1 43641010 JUSKNUJWBCEVLC-UHFFFAOYSA-N 295.470 6.516 30 1 CKEF C=C(C)[C@H]1C=CC(C)=CCC=C(C)CCC=C(C)CC1 2356686086 RLAFZRBJBUMWGN-FQEVSTJZSA-N 270.460 6.538 30 1 CKEF C=C(CCC=C(C)C)[C@@H](CO)C/C=C(\C)CCC=C(C)C 135923091 UYEUBWIEHVSTMC-ITICKHJUSA-N 290.491 5.980 30 1 CKEF CCCCCCCCCC=CCCCCCCC(=O)OC 2356347674 KXOOHHMDCDXCBV-UHFFFAOYSA-N 296.495 6.197 30 1 CKEF CC1=Cc2occ(C)c2C[C@@H]2[C@@H](C)C=CC(=O)[C@@]2(C)CCC1 2356599764 LHJBKKIYSPMWTO-NQYLQCIDSA-N 298.426 5.115 30 1 CKEF CCCCCCCCCCCCCCCOC(=O)CCC 114930838 BLUCLILBMXJZEJ-UHFFFAOYSA-N 298.511 6.421 30 1 CKEF CC/C=C\C/C=C\C[C@H]1O[C@@H]1CCCCCCC 169622800 XKXHPEFHBVBMGF-JWNHTEPXSA-N 250.426 5.417 30 1 CKEF CCCCCCC[C@H]1Oc2c(C)c(C)c(O)c(C)c2S1 38150805 PBIRCCXCQRPITN-AWEZNQCLSA-N 294.460 5.489 30 1 CKEF C=C[C@]1(C)C=C2CC[C@H]3[C@](C)(C=O)CCC[C@]3(C)[C@H]2CC1 85774011 JKBKXKTXDKYEOR-VYJAJWGXSA-N 286.459 5.321 30 1 CKEF CCCCCC/C=C\C=C/[C@@H]1CCC[C@@H]2CCCN12 238778523 DQWGZHFKRYCJOQ-MBWRJIJYSA-N 261.453 5.086 30 1 CKEF CC(/C=C/C[C@H](C)CCCC(C)C)=C\C(=O)CC(C)C 29309734 QVLXRBCKKLJKEV-IWHRFIAGSA-N 278.480 5.957 30 1 CKEF C=C(C)[C@H]1CC/C(C)=C/CC/C(C)=C/CC/C(C)=C/[C@H]1O 34250868 AZUVBPVDRHGGEP-CHHSKAHISA-N 288.475 5.733 30 1 CKEF CCCCCC/C=C/C#CCCCCCCCCC(=O)O 43285035 ILEFUIANNWKEFL-BQYQJAHWSA-N 292.463 5.722 30 1 CKEF CC(C)C1=CC2=C(CC1)[C@]1(C)CCC[C@@](C)(C=O)[C@H]1CC2 104883817 MDWQSNIQXHNTCK-AABGKKOBSA-N 286.459 5.465 30 1 CKEF endogenous,in-man CCCCCCCCC/C=C\C=C\C(=O)NCC(C)C 212745767 AGJAUFUNZWHLKE-FSALDASDSA-N 279.468 5.012 30 1 CKEF C=C(C)[C@@H]1CC[C@]23CC=C[C@H]4CCC[C@]42C=CC(C)=C3C1 2356364804 ZEAHEGYXHBMKQK-QCFAMHMHSA-N 280.455 5.982 30 1 CKEF CC[C@H](C)c1ccc2[nH]c(C3CC(F)(F)C3)c(C#N)c2c1 587643878 XYZPZAXLGMCLMM-JTQLQIEISA-N 288.341 5.066 30 1 CKEF CCCCCCCCCCCCCCC1=N[C@@H](C)CCC1 1857645193 RYGCWZGFCRDVGU-IBGZPJMESA-N 293.539 7.091 30 1 CKEF C=C(C)[C@H]1C[C@H](O)[C@]2(C)C/C=C(\C)CC/C=C(\C)CC[C@@H]12 102812011 YUHFWLZIGAFAIH-VFIQHPSTSA-N 288.475 5.423 30 1 CKEF C=C[C@@H](C)CC[C@@H]1[C@](C)(O)CC[C@@H]2C(C)(C)CCC[C@@]12C 238750482 KKTBXRFTXPLJNN-HPUSYDDDSA-N 292.507 5.582 30 1 CKEF CCCCCCCC=CCCCCCCCCCC 2356306276 JJLNWOYSWHTNSL-UHFFFAOYSA-N 266.513 7.434 30 1 CKEF C=C1CCC[C@@H]2[C@]1(C)CC[C@H](C)[C@]2(C)C=C[C@H](C)C(=O)O 2356580912 DXFPQBDIPIWBAL-AOILIUCDSA-N 290.447 5.062 30 1 CKEF CCCCCCCCCCCCCC[C@@H]1CCCN1 85922547 GLHQIQRFUKDACB-GOSISDBHSA-N 267.501 5.830 30 1 CKEF CCCCC#C/C=C\CN(C)Cc1cccc2ccccc12 95614347 PIOAVCMVBRSEKY-FLIBITNWSA-N 291.438 5.021 30 1 CKEF C=C(C)[C@@H]1/C=C(/C(C)C)CC/C(C)=C/CC[C@@H](C)CC1=O 238777297 ZJQBKSBFISFIPH-LXIRPXOSSA-N 288.475 5.877 30 1 CKEF C=C(CC)c1ccc(C#Cc2cc(Cl)ccc2OC)cc1 587905066 JWZOMJNDIAWMMQ-UHFFFAOYSA-N 296.797 5.172 30 1 CKEF CCC=CCC=CCC=CCCCCCCCCC 2356384614 MWNTUKOYEZXHLL-UHFFFAOYSA-N 262.481 6.986 30 1 CKEF CC(C)c1ccc2c(c1)C(=O)C(O)=C1C(C)(C)CCC[C@]12C 2356713342 GDNBMVUBDYKYKJ-FQEVSTJZSA-N 298.426 5.286 30 1 CKEF CCSC(=O)/C=C(C)/C=C/C[C@@H](C)CCCC(C)(C)C 29251648 HMVJLNYRVWEYKW-KSTBUPHCSA-N 296.520 6.011 30 1 CKEF CCCCCCCCC[C@@H](C)CCCCCC(=O)O 78811258 UQHCSAXPQPCWOO-MRXNPFEDSA-N 270.457 5.798 30 1 CKEF C=C(C)[C@H]1CC[C@]2(C)C/C=C(/C)CC/C=C(/C)CC[C@@H]12 169340265 KZHMFCYCMBPVGZ-JEKZYLCXSA-N 272.476 6.452 30 1 CKEF C=CCCCCCCCCC/C=C\C/C=C\CCCCC 169622577 JEADKAHJFBCEDU-MLWYYCKJSA-N 290.535 7.766 30 1 CKEF CCC[C@H](C)C[C@H](C)C[C@H](C)/C=C(\C)C(=O)CC 135788040 LRJDUFSHRXSRLR-IZGRLVBXSA-N 252.442 5.400 30 1 CKEF CCCCCCCCC=CCCCC[C@@H]1CCC1=O 2356285398 ITFDRFJPWYWSMZ-QGZVFWFLSA-N 264.453 5.833 30 1 CKEF C=C(C)C=CC[C@H](C)CCC[C@H](C)CCC[C@@H](C)CC 2356380467 HPXTYQIQNKBSIK-SLFFLAALSA-N 278.524 7.168 30 1 CKEF C=CCCCCCCC[C@@H]1CC[C@H]2CC[C@@H](C=CC)N21 2356478416 CZRRGBQGVWOIRS-GUDVDZBRSA-N 275.480 5.475 30 1 CKEF CCCCCCCCC(C)=CCCCCCCCC(=O)O 2356616071 RAILQKVJWBNVSR-UHFFFAOYSA-N 296.495 6.499 30 1 CKEF CCCCCCCCCCCCCC=CC(C)=O 2356742400 QABMZKHISPGULD-UHFFFAOYSA-N 252.442 5.833 30 1 CKEF C=C1CCC[C@@H]2[C@@](C)(CCC(C)=O)[C@H](C)CC[C@@]12C 39172359 NKFFXNLIDWNGAG-UBDQQSCGSA-N 262.437 5.154 30 1 CKEF C=C(C)[C@H]1C/C=C(\C)CC/C=C(/C)CC/C=C(/C)C[C@@H]1O 238785886 HTWXQGABXITTNW-LUHZYUORSA-N 288.475 5.733 30 1 CKEF CCCCC[C@H]1O[C@H]1CC=CCCCCCCCC(=O)O 2356455650 CCPPLLJZDQAOHD-SJORKVTESA-N 296.451 5.096 30 1 CKEF C=C(C)[C@@H]1CC[C@]2(C)C[C@@H]3c4c(coc4C[C@@H]3C)CC[C@H]12 2356728438 JNMFJYUTUJNPQB-UFEHZTMNSA-N 284.443 5.500 30 1 CKEF CC(C)CCC[C@H](C)CCC[C@H](C)CCC[C@@H](C)C=O 12495350 IZJRIIWUSIGEAJ-GBESFXJTSA-N 282.512 6.261 30 1 CKEF endogenous,in-man C=C[C@]1(C)C=C2C[C@@H](O)[C@H]3C(C)(C)CCC[C@]3(C)[C@H]2CC1 33832415 ISJKCFIDNXQWFE-SQIBXOBRSA-N 288.475 5.112 30 1 CKEF CCCCCCCC#CCCCCCCCCCCC 82080588 MKNDWOCCKIZYHP-UHFFFAOYSA-N 278.524 7.271 30 1 CKEF CCCCCCCCCC[C@]1(C)SC(O)=C(CC)C1=O 101032111 UZJCHXVLFAKZEB-KRWDZBQOSA-N 298.492 5.771 30 1 CKEF C=C[C@]1(C)CC[C@@H]2[C@H](CC[C@H]3C(C)(C)CCC[C@]23C)O1 2356586023 JOTSQVNPXHLILH-WHEVEAIOSA-N 276.464 5.353 30 1 CKEF C=C(C(C)C)[C@@H](O)CCC=C(C)CCC=C(C)C 2356678273 ZLWGOLLBNDIBMM-KRWDZBQOSA-N 250.426 5.032 30 1 CKEF C=N[C@]1(C)CC[C@@H]2[C@H](C)C[C@]3(C=CC(=C)C)[C@H](C)CC[C@@H]1[C@@H]23 2356681738 FERSXRCCIOZICY-PUWMBYMRSA-N 299.502 5.677 30 1 CKEF CCCCC/C=C/C1=CC(=O)C[C@H](c2ccc(OC)cc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c2nc3cccc4c3c(c21)CC4 587216549 FGZOHOWVCJOIGM-BXUZGUMPSA-N 297.467 5.023 30 1 CKEF CCCCCCCCC[C@@H](C)CCCCCCCO 2356518850 FGASPBQJNWNBRN-GOSISDBHSA-N 270.501 6.096 30 1 CKEF O=C(/C=C\c1ccccc1-c1ccccc1)c1ccccc1 6002458 QNCVIMGJHDEDAS-NXVVXOECSA-N 284.358 5.250 30 1 CKEF C=CC(=C)CC[C@@H]1[C@@]2(C)CC[C@H]3C[C@@]3(C)[C@@H]2CC[C@@]1(C)O 238739526 PUBHNPJYQNZRJD-IEJRGFGGSA-N 288.475 5.112 30 1 CKEF CCCCCCCCC=C(C)CCCCCCO 2356313381 XDGAZHYDUJPICP-UHFFFAOYSA-N 254.458 5.626 30 1 CKEF C=C1CC[C@@H]2[C@@H]1[C@@H]1[C@H]([C@H](C)CC(=O)C=C(C)C)CC[C@]12C 2356458653 QCUYCSJANBKKLA-LQYQHUGMSA-N 286.459 5.176 30 1 CKEF CCCCCCCCC#CCCCCCCCCCC 85663764 ARULVMGJDAAVBD-UHFFFAOYSA-N 278.524 7.271 30 1 CKEF endogenous,in-man CCCCCCC/C=C(\CCCCCC)C(=O)O 102180984 ZXZOWWGAPUWGNK-CCEZHUSRSA-N 254.414 5.328 30 1 CKEF CCCCCCCC[C@@H](C)CCCCCCC(=O)O 102181237 LAAIFKSODDOQCB-MRXNPFEDSA-N 270.457 5.798 30 1 CKEF CCCCCCCCC/C=C/c1cc(=O)c2ccccc2[nH]1 217354430 QXNYALKSDQNMBV-JLHYYAGUSA-N 297.442 5.682 30 1 CKEF C=C[C@@]1(C)CC[C@@]2(C)[C@@H](CC[C@@]34C[C@]3(C)CCC[C@H]24)C1 238755852 BQPZRCWCEAVBRV-XSEPRYCASA-N 272.476 5.975 30 1 CKEF C=C(C)[C@H]1C[C@H](O)[C@]2(C)CC=C(C)CCC=C(C)CC[C@@H]12 254014677 YUHFWLZIGAFAIH-FUMNGEBKSA-N 288.475 5.423 30 1 CKEF C=C(C)[C@@H]1CCC(C)=CCCC(C)=CCC[C@]2(C)O[C@H]2C1 299808412 KEOMEGAHKSPEBP-AABGKKOBSA-N 288.475 5.973 30 1 CKEF CCCCC1CCC(c2[nH]c3cc(F)ccc3c2C#N)CC1 587635107 HBIKATSNLNTREZ-UHFFFAOYSA-N 298.405 5.643 30 1 CKEF C=CC(C)=CC[C@@H]1C(=C)CC[C@@H]2[C@@](C)(CC)CCC[C@@]12C 2356390319 YAYIOONAOTUZAZ-CGXNFDGLSA-N 286.503 6.698 30 1 CKEF C=C1C[C@@]23CC[C@@H]4C(C)(C)CCC[C@]4(C)C2=CC[C@H]1C3 2356562384 RUTQZFCOTBYTMG-ACZWYYKOSA-N 270.460 5.896 30 1 CKEF C=C[C@]1(C)CC[C@@]2(C)[C@@H]3CCC(=O)C(=C)[C@@]3(C)CC[C@@H]2C1 2356648297 VUBBVVYLKRSKAR-YHUYVZNPSA-N 286.459 5.321 30 1 CKEF CCC(=O)[C@H](C)C(=O)C(C)=C[C@H](C)C[C@@H](C)C[C@H](C)CC 2356801834 QWDKEBCUYIBBBK-DLTWYDFYSA-N 294.479 5.216 30 1 CKEF C=C1CCC[C@]2(C)CC[C@]3(O)[C@H](C)CC[C@H](C(C)C)[C@@H]3[C@H]12 2356805668 VJMPLXPIDRMPMX-FFDFYAMSSA-N 290.491 5.192 30 1 CKEF C=C[C@@]1(C)CC[C@H]2[C@@]3(C)CCCC(C)(C)[C@@H]3CC[C@@]2(C)O1 3153998 IGGWKHQYMAJOHK-CZKCSJLSSA-N 290.491 5.743 30 1 CKEF in-vitro C=C1C[C@@]2(C)CCC=C(C)CCC=C(C)CC[C@H]1C[C@H]2O 2356563886 DCHZNDZNPHHRQP-XUVXKRRUSA-N 288.475 5.567 30 1 CKEF CCCCCCC=CCCCc1cc(=O)c2ccccc2[nH]1 2356733756 SSQJIUWSCJLTTP-UHFFFAOYSA-N 297.442 5.377 30 1 CKEF C=CCCCC[C@@H]1CCC2CC[C@@H](CCCCC=C)N21 1628933 ALDGBHHVYHPHIJ-QZTJIDSGSA-N 275.480 5.475 30 1 CKEF biogenic C#C/C=C\CCCCCCCCC/C=C/C#CC#CCC#C 238784494 IYLMQWZOJMUGLG-LMUZCRKOSA-N 290.450 5.273 30 1 CKEF CCCCCCCCc1ccc([C@H]2CC[C@H](O)CC2)cc1 254119827 JHRMMUBPZHBXEC-MXVIHJGJSA-N 288.475 5.608 30 1 CKEF CCCCCCCCC[C@@H](C)OC(=O)[C@@H](C)CC 2356487519 DJBPWDZTKRFDAO-LSDHHAIUSA-N 256.430 5.105 30 1 CKEF C=C1CC[C@@H]2[C@H](CCCC2(C)C)[C@@H]1CCC(C)=CCO 2356588500 XDRPGZFCMHGZHI-KZNAEPCWSA-N 276.464 5.114 30 1 CKEF CCCCCCCCCCCCC[C@H](C)CCCC(=O)O 60019772 GDTPUEHGUWCYRY-SFHVURJKSA-N 298.511 6.579 30 1 CKEF CCCCC/C=C\C/C=C/CCCCCCCCCC 148265332 ZXRQQYKZWAJTJO-XJQVUQAESA-N 278.524 7.600 30 1 CKEF C=C(C)[C@@H]1CCC(C)=CCCC(C)=CCC[C@@]2(C)O[C@@H]2C1 2356583854 KEOMEGAHKSPEBP-VAMGGRTRSA-N 288.475 5.973 30 1 CKEF C=CC[C@@H](c1ccc(F)cc1)c1c(O)ccc2ccccc12 103172655 LZQFOSPCGDNZAS-KRWDZBQOSA-N 292.353 5.393 30 1 CKEF C=C[C@@]1(C)CC[C@H]2C(=CC[C@H]3C(C)(C)CC[C@@H](O)[C@]23C)C1 238739855 QSKBCOXQCVLBON-VBYALHQYSA-N 288.475 5.112 30 1 CKEF C=C(C)[C@@H]1CC[C@]2(C)C/C=C(\C)CC[C@@H]3O[C@@]3(C)CC[C@@H]12 15146818 QYPBSHVQNJCZQA-SHPWRXFOSA-N 288.475 5.663 30 1 CKEF CCCCCCCCCC(=O)c1coc2cc(C#N)ccc12 587278777 KVASANSEBPDGGP-UHFFFAOYSA-N 297.398 5.628 30 1 CKEF CCCCCCCCCCCCC[C@@H](C)CCCO 2356437695 CDUINPQVLNSTIJ-GOSISDBHSA-N 270.501 6.096 30 1 CKEF CC1=CC(=O)[C@H]2C(C)(C)CCC[C@]2(C)[C@H]1/C=C\c1ccoc1 33831559 MXTCKNHXBBXULO-VPWZWPDPSA-N 298.426 5.271 30 1 CKEF biogenic,in-vitro C=C1CC[C@@H]2[C@H]([C@@H]3C[C@@H](C)C[C@H]13)[C@]2(C)C1CCCCC1 85545059 CCAOEVWDWKOAIX-QNYNDTLLSA-N 272.476 5.831 30 1 CKEF biogenic,in-vitro Cc1sc(N/N=C2\CCCC[C@@H]2C)nc1-c1ccccc1 169330844 DGCMHMZRVVBGEV-OGAOFSLMSA-N 299.443 5.097 30 1 CKEF CC[C@H](C)c1ccc2[nH]c([C@H](C)CC)c(C#N)c2c1 587640899 GGDSJUZNNMNBSZ-NWDGAFQWSA-N 254.377 5.067 30 1 CKEF C=C(C)[C@@H]1CC[C@]2(C)C[C@@H]3[C@@]4(C)CC[C@@H](O4)[C@]3(C)CC[C@H]12 2356393542 MTRVTLFGEXPTKZ-BNLCHGIRSA-N 288.475 5.353 30 1 CKEF CCCCCC=CCC=CCC#CCCCCC(=O)OC 2356448608 JHZCBOBQULICBU-UHFFFAOYSA-N 290.447 5.196 30 1 CKEF CC1=CC[C@]2(C)CC(=O)C(=C(C)C)[C@@H]2CCC(C)=CCC1 2356510418 YETBHHZORHIONL-FXAWDEMLSA-N 286.459 5.775 30 1 CKEF CC1=CCCC(C)=CC[C@]2(C)O[C@H]2CC(C)(C)C=CC1 2356799435 ULLDPDRGWMLDHT-HKUYNNGSSA-N 274.448 5.583 30 1 CKEF C/C=C/CCCCCCCCCCCCCCC=O 33842354 WTQUVMLIINDJCS-NSCUHMNNSA-N 266.469 6.223 30 1 CKEF biogenic,in-vitro C=C1CCC[C@H](C)CC[C@]2(C)CC[C@@H](C(C)(C)O)[C@@H]2CC1 2356329831 MPQZYYFISKOFRL-HLNWXESRSA-N 292.507 5.726 30 1 CKEF C=C[C@]1(C)C=C2C=C[C@H]3C(C)(C)CCC[C@]3(C)[C@H]2CC1 85946943 MLVPGUUWORISAK-QGZVKYPTSA-N 270.460 5.918 30 1 CKEF C=C(C)[C@H]1CC(=O)[C@]2(C)C/C=C(\C)CC/C=C(/C)CC[C@@H]12 169340262 RNHJVFUOEQKJEA-PBPZRQLPSA-N 286.459 5.631 30 1 CKEF C=CCCCC[C@H]1CC[C@@H]2CC[C@@H](CCCCC=C)N12 254127590 ALDGBHHVYHPHIJ-BWTSREIZSA-N 275.480 5.475 30 1 CKEF CCCCCCCCCCCCCCCC/N=C(\N)NC 44069549 RQKZQEVNVZYWQX-UHFFFAOYSA-N 297.531 5.002 30 1 CKEF C=C[C@]1(C)CC[C@@H]2[C@H](C1)[C@H](O)C[C@H]1C(C)(C)CCC[C@@]12C 2356598180 HSBPTXURDITOSN-KUIXFMFUSA-N 290.491 5.192 30 1 CKEF C=C(C)[C@@H]1CC(=O)[C@]2(C)C/C=C(/C)CC/C=C(/C)CC[C@@H]12 15147014 RNHJVFUOEQKJEA-IIYLVKBCSA-N 286.459 5.631 30 1 CKEF CCCCCCCCCCC12C[C@H]3CC(C[C@@H](C3)C1)[C@@H]2N 102172921 HNYSIBHYZZVCEI-JAMPWESASA-N 291.523 5.671 30 1 CKEF CCCCCCCCCC[C@@H](C(=O)O)[C@H]1C=CCC1 1911582815 ZSWWRSUXBRFEJM-JKSUJKDBSA-N 266.425 5.184 30 1 CKEF CCCCCCCCCCCCC=CC1=C[C@H](C)OC1=O 2356494722 OWNIRRPVQFRFNQ-KRWDZBQOSA-N 292.463 5.725 30 1 CKEF C=C(C)[C@H]1CCC=CCCC(C)=C(C)C[C@H](C(=C)C)C1 2356664942 OPYGHCIMUFZJNR-PMACEKPBSA-N 272.476 6.618 30 1 CKEF CCCCCCCCCCCC=C=CCCCC(=O)OC 86050874 AKRYBHYSBOTYON-UHFFFAOYSA-N 294.479 5.962 30 1 CKEF CCCCCCCCC/C=C\CCCCCCCCCO 90130985 GBIBFSAIABFIBT-KHPPLWFESA-N 296.539 6.796 30 1 CKEF C/C1=C\CC[C@]2(C)O[C@H]2CC/C(C)=C/C=C(/C(C)C)CC1 144712928 UIFUEZJMOQTFLI-AJYRKPNUSA-N 288.475 5.973 30 1 CKEF CC[C@H](C)c1ccc2[nH]c(-c3ccco3)c(CC#N)c2c1 587641447 FYQLIGCCIROWGY-LBPRGKRZSA-N 278.355 5.007 30 1 CKEF C=C(CCC=C(C)CCC=C(C)C)[C@H]1CC=C(C)CC1 2356571640 XENHETWDODOOQC-FQEVSTJZSA-N 272.476 6.762 30 1 CKEF CCCCC/C=C\C/C=C\CCCCCCC=O 33952282 JEBIMSVVDVTZIY-HZJYTTRNSA-N 250.426 5.609 30 1 CKEF C=C1CC[C@@H]2[C@H]([C@@H]3C[C@H](C)C[C@H]13)[C@]2(C)C1CCCCC1 2356774724 CCAOEVWDWKOAIX-SHMFVNDVSA-N 272.476 5.831 30 1 CKEF C=C1CC[C@H]2C/C=C(\C)[C@H](O)C/C=C(\C)CC[C@H]1C2(C)C 14695093 ZPONSJXVJQFQII-YMUHUBDOSA-N 288.475 5.423 30 1 CKEF CCCCCCCC[C@H](C)CCCCCCC(=O)O 102181243 LAAIFKSODDOQCB-INIZCTEOSA-N 270.457 5.798 30 1 CKEF C=C[C@@]1(C)CC[C@H]2[C@@]3(C)CCCC(C)(C)[C@H]3CC[C@@]2(O)C1 231126219 IYDAPILQPCDHTO-XIHRTOKZSA-N 290.491 5.336 30 1 CKEF C=C[C@@]1(C)CC[C@H]2C[C@H]1C(=C)C[C@]2(C)C=CC=C(C)C 2356801788 QUPDQBDLUSSORP-MUGJNUQGSA-N 270.460 6.084 30 1 CKEF C=C(C)CCC[C@](C)(O)[C@@H]1CC[C@]2(C)CC=C(C)CC[C@@H]12 59779413 ZNHQIGBFRDTHDN-YRPNKDGESA-N 290.491 5.647 30 1 CKEF C[C@H]1CCC[P@+](Cc2ccccc2)(c2ccccc2)CC1 73259038 DSICDDPAKCYBEI-RXVVDRJESA-N 297.402 5.350 30 1 CKEF CCCCCCCCCCCCCC[C@H](C)[C@H](O)CO 102186251 KSEGTNVNTCGYOI-ZWKOTPCHSA-N 286.500 5.067 30 1 CKEF C=C1/C=C/[C@@H]([C@H](C)CC(=O)CC(C)C)CC/C(C)=C/CC1 96086209 WCPMPLJZWAHSJJ-JXWWOGKUSA-N 288.475 5.877 30 1 CKEF in-vitro C=C(C)[C@]1(O)CC[C@@]2(C)CC=C(C)CCC=C(C)CC[C@@H]21 2356333134 NUHPZDOCKJPIPC-XUVXKRRUSA-N 288.475 5.567 30 1 CKEF C=CC(C)=CC[C@@H]1C(=C)CC[C@@H]2C(C)(C)C(=O)CC[C@@]21C 2356469203 DJHJAXUNPSDCLR-MBOZVWFJSA-N 286.459 5.487 30 1 CKEF C=C1CCC=C(C)CC[C@@H]2[C@@H]1C[C@@]2(C)CC=CC(C)(C)O 2356682950 BLKYNXQZVZSPOH-QWFCFKBJSA-N 288.475 5.423 30 1 CKEF C=C[C@@](C)(O)CC[C@@H]1C(=C)CC[C@H]2C(C)(C)CCC[C@@]21C 2574369 CECREIRZLPLYDM-PIKOESSRSA-N 290.491 5.502 30 1 CKEF biogenic,in-vitro C=C(C)[C@@H]1CC[C@@]2(C)[C@@H]3CC=C(C)C=C[C@@]3(C)CC[C@H]12 144265991 OUYOWLFVZBXATE-MFKWGIFDSA-N 270.460 5.918 30 1 CKEF CC(C)c1ccc2c(c1)C(=O)C=C1C(C)(C)CCC[C@@]12C 238789148 DUGGGYJTBSDGEH-HXUWFJFHSA-N 282.427 5.401 30 1 CKEF C=C(C)[C@@H]1CC[C@]2(C[C@H]1CCC)[C@H]1CC3C[C@@H](C1)C[C@H]2C3 1857544429 DYQIJNXBUDODDH-RWEDMGFDSA-N 286.503 6.221 30 1 CKEF C=N[C@]1(C)CC[C@@H]2[C@H](C)C[C@@H]3CC(C)(C)CC4=C3[C@H]2[C@@H]1CC4 2356573204 DKRUHPGQOBAZBQ-ODEKTISGSA-N 299.502 5.655 30 1 CKEF CC1=C(CCc2ccoc2)[C@]2(C)CCCC(C)(C)C2=CC1=O 2356630458 QWRWJNFMCJNXSU-FQEVSTJZSA-N 298.426 5.254 30 1 CKEF CCCCCCCCCCCCC/C=C/C(C)=O 49850533 QABMZKHISPGULD-FOCLMDBBSA-N 252.442 5.833 30 1 CKEF CCCCCCCCCCCCCCC(C)(C)C 80816259 JUDMLKAUYABUCD-UHFFFAOYSA-N 254.502 7.124 30 1 CKEF CCCCCCCC/C=C/c1c(C)cc2[n+](c1C)CCC2 84711578 DXDFWADNZLVOHG-SDNWHVSQSA-N 286.483 5.301 30 1 CKEF CCCCCCCCCCCCCC[C@@H](C)C(=O)OCC 86051484 GMBOFRHLGFRYQN-GOSISDBHSA-N 298.511 6.277 30 1 CKEF CC(C)C1=CC2=CC[C@H]3[C@](C)(C=O)CCC[C@]3(C)[C@@H]2CC1 13301898 HOFSYSONRIGEAC-FUMNGEBKSA-N 286.459 5.321 30 1 CKEF in-man C=CC(=C)CC[C@H]1[C@](C)(O)CC[C@H]2C(C)(C)CCC[C@]21C 15955449 JTWQQJDENGGSBJ-ONCXSQPRSA-N 290.491 5.502 30 1 CKEF biogenic,in-man CC(C)=C1C(=O)C[C@@]2(C)C/C=C(/C)CC/C=C(\C)CC[C@H]12 169292424 YETBHHZORHIONL-WKDQWXNUSA-N 286.459 5.775 30 1 CKEF CC1=CC[C@@]2(C)CC[C@@]3(C)C(=O)C=C(C(C)C)[C@H]3[C@H]2CC1 14948824 UBFCZYCSGVNSQM-GTAWCEEGSA-N 286.459 5.321 30 1 CKEF CCCCCCCCC/C=C/C=C\C(=O)NCC(C)C 212745701 AGJAUFUNZWHLKE-NQDQBVNISA-N 279.468 5.012 30 1 CKEF C=C1/C=C/[C@@H]([C@@H](C)CC(=O)C=C(C)C)CC/C(C)=C/CC1 96086206 SBHIRCGPIWGBMU-QEWZTYPOSA-N 286.459 5.797 30 1 CKEF in-vitro Cc1sc(NN=C2CCCCCC2)nc1-c1ccccc1 169330850 VOSDLYAZWCVFCT-UHFFFAOYSA-N 299.443 5.241 30 1 CKEF C=C(C)[C@@H]1CC[C@@]23CC=C[C@@H]4CCC[C@]42C=CC(C)=C3C1 85550217 ZEAHEGYXHBMKQK-YXYSEUPNSA-N 280.455 5.982 30 1 CKEF biogenic,in-vitro C=C(C)[C@@H]1CC[C@]2(C)CC3=C(C)CC[C@H](O)[C@@]3(C)CC[C@H]12 2356602701 JGIYJHKDKOUXGI-ZRSLWSEBSA-N 288.475 5.256 30 1 CKEF C=C(C)C1=CC=C(C)CCC=C(C)CCC=C(C)CC1 2356802934 WOOHKDOUFDUAJA-UHFFFAOYSA-N 270.460 6.682 30 1 CKEF CCCCCCC/C=C/CCCCCCCOC(C)=O 59725292 GUUHMNNQEULCRL-MDZDMXLPSA-N 282.468 5.807 30 1 CKEF CCCCCCCCCCCCC[C@H](C)CCC 111337581 YPPNOYRCEQRCHY-GOSISDBHSA-N 254.502 7.124 30 1 CKEF biogenic C=C[C@@]1(C)CC[C@]2(C)C3=C(CC[C@@H]2C1)C(C)(C)CCC3 231177514 XLQFULDKFPTYLT-XPGWFJOJSA-N 272.476 6.286 30 1 CKEF C=C1CC[C@@H]2[C@@H]3[C@H](CC[C@]2(C)C#N)[C@H](C)C[C@@H](C=C(C)C)[C@@H]13 2356332464 FVLMFTXDYSOHDO-OHEBNXRLSA-N 297.486 5.747 30 1 CKEF C=CCCCCCCC[C@@H](C)CCC[C@@H](C)CCCC 85644977 HNNJJUHEQQKTEO-VQTJNVASSA-N 280.540 7.536 30 1 CKEF CCCCCCCOc1ccc(Cc2ccccc2)cc1 98083771 OEYNHYTUESUSJT-UHFFFAOYSA-N 282.427 5.627 30 1 CKEF CC[C@H](C)c1ccc2[nH]c(CC#N)c(C(C)(C)C)c2c1 587643893 YHNOGDRFGJIARM-LBPRGKRZSA-N 268.404 5.045 30 1 CKEF CCCCCCCC(C)=C[C@H](CC=CCCC(=O)O)OC 2356448180 RDADKZPYWXITRK-KRWDZBQOSA-N 296.451 5.119 30 1 CKEF C=C(C)[C@H]1CC=C(C)CCC=C(C)CC(=O)C[C@H](C)CC1 2356484834 JIEJHFSIWZFZPM-MOPGFXCFSA-N 288.475 6.021 30 1 CKEF C[C@@H](CC#CC(C)(C)C)N(C)Cc1cccc2ccccc12 27707978 AGYZCIGQWBDVCS-KRWDZBQOSA-N 293.454 5.100 30 1 CKEF CCCCCCCC[C@@H](CC[C@@H]1CCCS1)C(=O)O 1911586434 YDLABGRXPUXZDJ-GJZGRUSLSA-N 286.481 5.114 30 1 CKEF C=CCCCC[C@@H](C)CCCC=CC#CCCCC(=O)O 2356489865 MYZUKLSBSYDRBA-GOSISDBHSA-N 290.447 5.354 30 1 CKEF C=C(C)[C@@H]1C/C=C(/C)CC/C=C(/C)CC/C=C(\C)CC1=O 238734180 FHFFESCITRPPTG-UJABXSSISA-N 286.459 5.941 30 1 CKEF C=C[C@]1(C)C=C2CC[C@H]3[C@@](C)(CO)CCC[C@]3(C)[C@H]2CC1 238772218 JEOZUAHPKAVXSF-WKWVNEEDSA-N 288.475 5.114 30 1 CKEF CC#CCCCCCCCc1nc2cc(C)c(C)cc2[nH]1 587956683 KHGCHCOBEQPZEC-UHFFFAOYSA-N 282.431 5.086 30 1 CKEF CCCCCCCCC=CCCCCCC[C@@H](O)C(=O)O 1857603682 JBSOOFITVPOOSY-QGZVFWFLSA-N 298.467 5.079 30 1 CKEF C=C[C@](C)(CO)C[C@@H]1C(=C)CC[C@@H]2C(C)(C)CCC[C@]12C 2356442502 DXZWZHDIHFURDA-IZBJGVDFSA-N 290.491 5.360 30 1 CKEF CCCCCCC[C@H](O)C=CCCCCCCCC(=O)O 2356498197 MHBZYZVYSHCDLI-KRWDZBQOSA-N 298.467 5.079 30 1 CKEF C=C1CC[C@H](O)C(C)=CCC2=CC[C@H](C(C)C)[C@]2(C)CC1 2356788670 CHFOGWOZUPHEQF-HSALFYBXSA-N 288.475 5.423 30 1 CKEF C=C[C@]12CCC(C)=CC1=CC[C@@H]1[C@@H]2CC[C@]2(C)[C@@H](O)CC[C@@H]12 28950302 PPGVWCDLIZEUNC-PXQJOHHUSA-N 298.470 5.032 30 1 CKEF CC(C)C1=CC2=CC[C@@H]3[C@](C)(C=O)CCC[C@]3(C)[C@H]2CC1 33950340 HOFSYSONRIGEAC-ZGXWSNOMSA-N 286.459 5.321 30 1 CKEF endogenous,in-man CCCCCCCCCCCCc1ccc(C(C)=O)o1 85560307 CDQRKPOIGQRDHU-UHFFFAOYSA-N 278.436 5.946 30 1 CKEF C[C@]12C=C[C@@]3(CC[C@H]4[C@@](C)(CCC[C@@]4(C)C=O)[C@@H]3CC1)C2 238747045 MUDDKIQZZPCIQA-FGSPNWDHSA-N 286.459 5.154 30 1 CKEF biogenic CCCCCCCC=CCCCCCCCCCC(=O)O 2356425687 JDPDAWHZOMLJCH-UHFFFAOYSA-N 296.495 6.499 30 1 CKEF C=C[C@]1(C)CC[C@]2(C)[C@H](O1)[C@@H]1C[C@H]1[C@@]2(C)CCC=C(C)C 2356804624 ZILNHCOODOJRFM-BZIXAJQCSA-N 288.475 5.519 30 1 CKEF Cc1[nH]c2c(C)cc(Cl)cc2c1[C@H]1[C@@H](CC#N)C1(C)C 587624449 JRBHPRDJBHKBSV-UKRRQHHQSA-N 286.806 5.091 30 1 CKEF C=C[C@@]1(C)CC=C2[C@H](CC[C@H]3[C@](C)(CO)CCC[C@@]23C)C1 27099820 YSFNIVKHYKBKHI-HTDHLNIYSA-N 288.475 5.114 30 1 CKEF CCCCCCCCCC[C@@H](CC)C(=O)CC(=O)CCC 85734182 PZVLPNHRVJKPJD-QGZVFWFLSA-N 296.495 5.872 30 1 CKEF C=C(C)C=C[C@]12C[C@H](C)[C@@H]3CC[C@](C)(C#N)[C@H](CC[C@@H]1C)[C@H]32 2356337230 SSFDJDHBZVHNKM-KQDRTDIFSA-N 297.486 5.747 30 1 CKEF C=C1CCC=C(C)CC[C@](C)(CCC=C(C)C)[C@H]2C[C@@H]12 2356506958 SLLJXDWDIIKACA-UFYCRDLUSA-N 272.476 6.452 30 1 CKEF CCCCCCCCCCCCNC(=O)NCCCC 59895033 BUIQXSYFILIPAX-UHFFFAOYSA-N 284.488 5.007 30 1 CKEF CCCCCC/C=C\CCCCCC(=O)OCC(C)C 238782959 KXWOJQAKGDPEGA-KTKRTIGZSA-N 282.468 5.663 30 1 CKEF C=C[C@]1(C)CC[C@]2(C)C3=CCC[C@](C)(CO)[C@@H]3CC[C@H]2C1 2356560411 YQXKHENEQRLREB-MSJBJCGKSA-N 288.475 5.114 30 1 CKEF CCCCCCCCCCCCCCCC(=O)NCCC 43706645 HBMSIPLIFIVUKZ-UHFFFAOYSA-N 297.527 5.994 30 1 CKEF C[C@@H]1C[C@@H]2CC(C)(C)C=C3CC[C@@H]4[C@@H]([C@@H]32)[C@@H]1CC[C@@]4(C)C#N 2356333956 YAYDQYHMMNESNH-KXRRLSRVSA-N 297.486 5.581 30 1 CKEF C=C1CCC=C(C)CC[C@H](C(=C)C)CC=C(C)CC[C@@H]1O 2356447994 LSODKMDOJJIXMC-PMACEKPBSA-N 288.475 5.733 30 1 CKEF CCCCCCC=CCCCCCC(=O)O[C@@H](C)CC 2356667827 RBSDKFRRNIJFNR-KRWDZBQOSA-N 282.468 5.805 30 1 CKEF Cl/C(=N\Nc1ccccc1)c1ccc(Cl)c(Cl)c1 27624470 ALXJVBJBTJMTIZ-AQTBWJFISA-N 299.588 5.006 30 1 CKEF CCCCCCCCCCC12C[C@@H]3CC(C[C@H](C3)C1)[C@H]2N 253839196 HNYSIBHYZZVCEI-SNBPALBFSA-N 291.523 5.671 30 1 CKEF C=C(C)C1=CC[C@]2(C)[C@@H]1CC[C@H](C)[C@@H]1CC[C@@H](C)C[C@H]12 2356816176 CYNMVKBMOIZMPF-AKPBFSNOSA-N 272.476 5.997 30 1 CKEF C=C1CC[C@@H](O)[C@@]2(C)CCC3=C(C(C)C)CC[C@]3(C)C=C12 15147319 DXOIRDLMGPLRGJ-AQNXPRMDSA-N 286.459 5.177 30 1 CKEF CCCCCCCCCCCC[C@@H](C)CCC(C)C 59105119 COQGQTARORRRMG-LJQANCHMSA-N 268.529 7.370 30 1 CKEF CCCCCCCC[C@H]1C=Cc2cc([N+](=O)[O-])ccc2O1 68247253 MDZZLCUFIGJZLT-INIZCTEOSA-N 289.375 5.120 30 1 CKEF CCCCCCC/C=C/Cc1cc2c3c(cccc3n1)CC2 587213591 KSDQYPHHFLVQRS-CMDGGOBGSA-N 293.454 5.793 30 1 CKEF C=CCCCC[C@@H]1CC[C@@H](CCCCCCCCC)N1 36294961 VJYHAIYEEJOCLT-RTBURBONSA-N 279.512 5.994 30 1 CKEF in-vivo C=C[C@](C)(O)CC[C@@]1(C)[C@@H](C)CC[C@]2(C)C(C)=CCC[C@H]21 14928155 YBDUXZKWDIUNSG-YHDCXSKOSA-N 290.491 5.502 30 1 CKEF endogenous,in-man C=CC[C@H](Nc1ccc(Cl)c(Cl)c1)c1ccco1 29058483 AOPCLXXPQASCPL-ZDUSSCGKSA-N 282.170 5.316 30 1 CKEF C=C[C@@]1(C)CC[C@H](C(=C)/C=C/C=C(C)C)C[C@@H]1C(=C)C 59144891 VGHJWKDOMDFMPV-AVZXSXTFSA-N 270.460 6.250 30 1 CKEF CCCCCCC=CCCC=CCCCCCC(=O)O 2356306167 GCADTFSRGKGSJO-UHFFFAOYSA-N 280.452 5.885 30 1 CKEF CC(C)c1ccc2c(c1)C(=O)C=C1C(C)(C)CCC[C@]12C 2356468468 DUGGGYJTBSDGEH-FQEVSTJZSA-N 282.427 5.401 30 1 CKEF CCCCCCC=CCCCC=CCCCCC(=O)O 2356592963 RTJZUCGIUVBZCN-UHFFFAOYSA-N 280.452 5.885 30 1 CKEF C=C(CCC=C(C)C)[C@H]1CC[C@@](C)(O)[C@@H]2CC[C@H](C)[C@@H]2C1 95919382 DOGQNYXCCXBVMX-WKWVNEEDSA-N 290.491 5.502 30 1 CKEF biogenic,in-vitro C=C[C@@]1(C)CC=C2[C@@H](CC[C@@H]3[C@@](C)(CO)CCC[C@]23C)C1 14656650 YSFNIVKHYKBKHI-ABHMUUKNSA-N 288.475 5.114 30 1 CKEF CCCCCCCCCCCCCCCC1=NCCCC1 82158287 WYOKZEKWRDCHKA-UHFFFAOYSA-N 293.539 7.093 30 1 CKEF C=CCCCCCCCCCCCCC[C@H](C)C(=O)O 33822059 FPNOYKBGQRIKKZ-KRWDZBQOSA-N 282.468 5.964 30 1 CKEF CCCCCCCCC/C=C\C/C=C\CC(=O)O 218367174 SWDYIXUKRCAISA-XVTLYKPTSA-N 252.398 5.104 30 1 CKEF C=C(C)[C@@H]1CC[C@]2(C)C[C@@H](O)C(C)=CCCC(C)=CC[C@@H]12 2356439280 LREHNCVBQXWFSA-VNTMZGSJSA-N 288.475 5.423 30 1 CKEF CCCCCCCCCCCCC[C@@H](C)CCC 111337579 YPPNOYRCEQRCHY-SFHVURJKSA-N 254.502 7.124 30 1 CKEF biogenic CC/C=C\C=C\C=C/C=C\CCCCCCCC=O 195771898 RETRRXAPSLSKSS-SDOBVRSVSA-N 260.421 5.551 30 1 CKEF C=C1CC[C@@H]2O[C@]2(C)CC[C@@H]2[C@H]1C[C@]2(C)C1CCCCC1 2356433061 VGBVUROPESYSGY-PXTPFGJHSA-N 288.475 5.497 30 1 CKEF C=C(Cc1cccc(C)c1)C1=CC=C(c2ccc(C)cc2)C1 95595500 IIXWVKPHXRFBKW-UHFFFAOYSA-N 286.418 5.816 30 1 CKEF CCCCCCCCCCCCCC(=O)C[C@@H](C)C(=O)O 102184422 FYKXUGIGKHKTDH-MRXNPFEDSA-N 298.467 5.367 30 1 CKEF C=CC[C@@H](c1cccc(F)c1)c1c(O)ccc2ccccc12 103172664 NYUWQGCDSLWFJQ-KRWDZBQOSA-N 292.353 5.393 30 1 CKEF C=C1CC[C@@H]2[C@H](CCCC2(C)C)[C@H]1CC/C(C)=C/CO 238748503 XDRPGZFCMHGZHI-FXJYBBOPSA-N 276.464 5.114 30 1 CKEF Cc1ccc(/C=C2\CCC/C(=C\c3ccc(C)o3)C2=O)cc1 653730485 IWSTYRPEMPNCCD-PWDIZTEBSA-N 292.378 5.116 30 1 CKEF CCCCCCCCCCCCCC[C@H](C)CCCO 140130244 PFYGXDYHIHRFST-IBGZPJMESA-N 284.528 6.486 30 1 CKEF C=C(C)[C@@H]1CC[C@@]2(C)CC=C(C)CCC=C(CO)CC[C@H]12 2356794480 HXQKFSCRQHBTEY-XUVXKRRUSA-N 288.475 5.424 30 1 CKEF C=C(CCC=C(C)C)[C@H]1CC[C@]2(C)CCCC(C)=C2C1 2356431749 CYHWNHHPEIUYBV-ICSRJNTNSA-N 272.476 6.596 30 1 CKEF C=C(C)[C@H]1C=C(C(C)C)CCC(C)=CCC[C@@H](C)CC1=O 2356432381 ZJQBKSBFISFIPH-IEBWSBKVSA-N 288.475 5.877 30 1 CKEF C=C(C)CCC[C@H](C)[C@@H]1CC=C(C)[C@@H]2CCC(C)=C[C@H]12 2356608835 VAEPEPZBSPXQDJ-LEAZDLGRSA-N 272.476 6.308 30 1 CKEF C=C(C)[C@@H]1CC=C(C)CCC=C(C)CC[C@H](C(=C)C)C1 2356662112 CIJBIDDWTJGAAD-VQTJNVASSA-N 272.476 6.618 30 1 CKEF CC1=CCCC(C)=CC[C@@]2(C)O[C@@H]2CC(C)(C)C=CC1 2356799436 ULLDPDRGWMLDHT-IEBWSBKVSA-N 274.448 5.583 30 1 CKEF C=C1CCC[C@H](C)CC[C@]2(C)CC[C@H](C(C)(C)O)[C@@H]2CC1 2356329830 MPQZYYFISKOFRL-CGBFIWBNSA-N 292.507 5.726 30 1 CKEF CC[C@@H](C)c1ccc2[nH]c(C3CCCCC3)c(C#N)c2c1 587642424 LYIRUWSAKMDPRR-CYBMUJFWSA-N 280.415 5.601 30 1 CKEF C=C(C)[C@@H]1CC[C@]2(C)CC([C@H](C)CCC=O)=C(C)CC[C@@H]12 2356473601 KIYQGIHXABMIHF-DJABAAGCSA-N 288.475 5.711 30 1 CKEF CC(C)C1=CC2=CC[C@@H]3[C@@](C)(C=O)CCC[C@]3(C)[C@@H]2CC1 13301891 HOFSYSONRIGEAC-UAFMIMERSA-N 286.459 5.321 30 1 CKEF in-man CCCC#CCCCCCCCCCCCCC(=O)O 33822224 SBNCTTZUMQKSDX-UHFFFAOYSA-N 280.452 5.556 30 1 CKEF C=C[C@]1(C)C=C2CC[C@H]3[C@](C)(CO)CCC[C@]3(C)[C@H]2CC1 33833594 JEOZUAHPKAVXSF-VYJAJWGXSA-N 288.475 5.114 30 1 CKEF biogenic,in-vitro CCCCCCCCC(=O)OC[C@H](C)CCCC(C)C 169622384 BLWHBJVGTIOHNE-QGZVFWFLSA-N 284.484 5.743 30 1 CKEF O=C1/C(=C/c2ccccc2)CCC/C1=C\c1ccc(F)cc1 1857761586 XHDCXXQPGZMQGL-HBKJEHTGSA-N 292.353 5.046 30 1 CKEF CC[C@@H](C)c1ccc2[nH]c(-c3cccc(F)c3)c(C#N)c2c1 587641440 IVNANCMQGYLYOP-GFCCVEGCSA-N 292.357 5.359 30 1 CKEF CCCCCCCCC=CC(=O)CCCCCCC(=O)O 2356339548 PHIXKQDGLSTYQU-UHFFFAOYSA-N 296.451 5.288 30 1 CKEF CCCCCCCCC[C@H]1O[C@H]1CCCCCCCC 146259593 IDEQNIOEFSEJSA-RBUKOAKNSA-N 282.512 6.645 30 1 CKEF C=C1CC[C@H](O)C(C)=CCC2=CC[C@@H](C(C)C)[C@]2(C)CC1 2356788671 CHFOGWOZUPHEQF-SLFFLAALSA-N 288.475 5.423 30 1 CKEF CCCCCCCCCCCC[C@H](C)CCCC(C)=O 138407217 MWGNBZOSAYVIHD-SFHVURJKSA-N 282.512 6.693 30 1 CKEF CCCCCCCCCC=CCC=CC[C@@H]1O[C@@H]1CC 2356579565 BDTRZWQPTAKTIF-MOPGFXCFSA-N 278.480 6.197 30 1 CKEF CCCCCCCCCCCCCCCCOCCN 84670038 FWFOSYLRRIGGHS-UHFFFAOYSA-N 285.516 5.443 30 1 CKEF C=C1CC[C@H]2C(C)(C)CCC[C@]2(C)[C@@H]1CC[C@@H](C)CCO 85994744 MRGUZWPTZWRQKP-PHXBYCTMSA-N 292.507 5.584 30 1 CKEF CCCCCCCCC[C@H](C)CCC[C@H](C)C(=O)O 102180665 WHGDPKYLDRGDLD-HOTGVXAUSA-N 270.457 5.654 30 1 CKEF C[C@@H](/C=C/C(=O)/C=C/[C@H](C)c1ccccc1)c1ccccc1 169699866 UWEVNZJEGAOQET-URISWADMSA-N 290.406 5.275 30 1 CKEF CCCCCCCC=CC=CC[C@@H](C)CCC(=O)OC 2356797873 OOFRANFGMZLHQO-QGZVFWFLSA-N 280.452 5.439 30 1 CKEF Cc1ccc(/C=C/C(=O)c2cc(Cl)sc2Cl)cc1 28824648 PASIVUTXTLSNDW-VOTSOKGWSA-N 297.206 5.259 30 1 CKEF CCCCCC/C=C\CC/C=C\CCCCCC(=O)O 102181927 GCADTFSRGKGSJO-MQEUWQHPSA-N 280.452 5.885 30 1 CKEF C=C1CC/C=C(/C)CC[C@@H](C(=C)CCC=C(C)C)C[C@@H]1O 169344586 ZQWAPPQJKIEPOV-VTYIMSSISA-N 288.475 5.733 30 1 CKEF CC1=C2C[C@H]3CC[C@H](C)[C@@]2(CC1=O)[C@]3(C)C1CCCCC1 2356351685 DCNBPHJBPGDXBN-GSJUVLCZSA-N 286.459 5.299 30 1 CKEF C=C[C@]1(C)CC[C@H]2C[C@H]1C(=C)C[C@]2(C)C=CC=C(C)C 2356801786 QUPDQBDLUSSORP-HAGHYFMRSA-N 270.460 6.084 30 1 CKEF CCCCCCCCCC[P@@H](=O)OCc1ccccc1 43100251 BGJFBINBXJGVHD-UHFFFAOYSA-N 296.391 5.819 30 1 CKEF CC(C)C1=CC2=C(CC1)[C@@]1(C)CCC[C@@](C)(C=O)[C@H]1CC2 59066474 MDWQSNIQXHNTCK-HSALFYBXSA-N 286.459 5.465 30 1 CKEF in-vitro CC1=C[C@@]23CC[C@H]4[C@@](C)(CCC[C@@]4(C)C=O)[C@@H]2CC[C@@H]1C3 169653999 IXIINGQFXAAIPH-XRNRSJMDSA-N 286.459 5.154 30 1 CKEF biogenic C#C[C@@H](O)C=CCCCCCCCC=CCCCCCC 2356800781 QGJPBUXVILCCRJ-HXUWFJFHSA-N 290.491 5.794 30 1 CKEF CCCCCC/C=C\C[C@H](CC)CCCCCC(=O)O 85506161 KEGWDBDWBFDZCS-CCCPALQASA-N 282.468 5.964 30 1 CKEF biogenic,in-vitro CCCCCCCCC[C@H](CC)C1CCCCC1 85930120 ZDMYCNLANBQLOI-KRWDZBQOSA-N 252.486 6.734 30 1 CKEF endogenous,in-man CC(C)=C1CC[C@@]2(C)C(=O)/C=C(\C)CC/C=C(/C)CC[C@H]12 138836930 UPOREMYWIBIKTQ-YEWKAIHSSA-N 286.459 5.775 30 1 CKEF CCCCCCCC/C=C(\C)CCCCCCCC 201379511 RCKXFWRCJBTHNQ-VHEBQXMUSA-N 266.513 7.434 30 1 CKEF C=C(C)[C@]1(O)CC[C@@]2(C)CC=C(C)CCC=C(C)CC[C@H]21 2356333132 NUHPZDOCKJPIPC-VAMGGRTRSA-N 288.475 5.567 30 1 CKEF C=C(C)[C@H]1C/C=C(/C)CC/C=C(\C)CC/C=C(/C)CC1 105383927 VWSPQDDPRITBAM-CQFKMJEUSA-N 272.476 6.762 30 1 CKEF CCCCCCC/C=C\CCCCCCCC(=O)OC 136777372 GTSDEAFDHYYGKM-KTKRTIGZSA-N 282.468 5.807 30 1 CKEF CC1=CCC(=O)C(C)=C[C@H]2[C@@H](CCC(C)=CCC1)C2(C)C 2356496315 UJRRNBNNVPPTBX-MSOLQXFVSA-N 286.459 5.631 30 1 CKEF C=C(C)[C@@H]1CC[C@]2(C)CC=C(C)CC[C@H](O)C(C)=CC[C@H]12 2356585652 XLVICQJWBTVGFZ-YRPNKDGESA-N 288.475 5.423 30 1 CKEF C=C(C)/C1=C/C=C(\C)CC/C=C(\C)C[C@@H]2C=C(CC1)C(=O)O2 96086057 KGUUUDYKWYRRMZ-KTFRZDGWSA-N 298.426 5.197 30 1 CKEF in-vitro C[C@@H]1C[C@@H]2CC(C)(C)C=C3CC[C@@H]4[C@@H]([C@@H]32)[C@@H]1CC[C@]4(C)C#N 2356333959 YAYDQYHMMNESNH-OXDUHRFCSA-N 297.486 5.581 30 1 CKEF C#CCC[N+](C)(C)CCCCCCCCCCCC 38158029 NCXUQOJGGUDJOC-UHFFFAOYSA-N 266.493 5.007 30 1 CKEF CCCCCCCCC[C@@H](CCC)c1ccccc1 85531505 RZGVZPAWCGDMCK-GOSISDBHSA-N 260.465 6.711 30 1 CKEF biogenic,in-vitro C=CC/C=C\CCCCCCCCCCCCCCC 195802607 VMWPBZLUNCMQTJ-CLFYSBASSA-N 278.524 7.600 30 1 CKEF C=CC(=C)CCC=C(C)CC[C@@H]1C(=C)CCCC1(C)C 2356389876 JYLFEIJIZTXUNT-LJQANCHMSA-N 272.476 6.618 30 1 CKEF C=C(CCC(C)=CCC[C@@H](C)c1ccc(C)cc1)C(C)C 2356643468 UBBKTKSNNRMAPA-HXUWFJFHSA-N 284.487 6.817 30 1 CKEF CCCCCCCCCCCC[C@H](C)CCC[C@@H](C)CC 85644750 ZRWWZZPRTCSWHU-SFTDATJTSA-N 296.583 8.150 30 1 CKEF CC(C)=CCC[C@H]1CC[C@@H](C=O)[C@@](C)(CCC=C(C)C)C1 238746325 BNZKPSOVNXOAIQ-UFYCRDLUSA-N 290.491 6.101 30 1 CKEF CC1=CC(=O)[C@@]2(C)CCC(=C(C)C)[C@@H]2CCC(C)=CCC1 2356429433 UPOREMYWIBIKTQ-ICSRJNTNSA-N 286.459 5.775 30 1 CKEF C=C[C@]1(CO)CC[C@H]2C(=CC[C@@H]3C(C)(C)CCC[C@@]23C)C1 85946806 BBKZUFMCDLTYDK-HNJRGHQBSA-N 288.475 5.114 30 1 CKEF CCCCCCCC[C@H](C)CCCCCCCO 100505210 TUCDQMRJIWBYSN-KRWDZBQOSA-N 256.474 5.706 30 1 CKEF CCCCCCC[C@H](C)CCC[C@H](C)CCC(=O)O 102180676 DNABEQSTCCBXAX-HOTGVXAUSA-N 270.457 5.654 30 1 CKEF C=C[C@@]1(C)CC[C@]2(C)[C@@H](CC[C@]3(C)C(=C)CCC[C@@H]32)C1 231129438 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288.475 5.424 30 1 CKEF C=C1CC[C@H]2[C@H](C)C[C@H](C=C(C)C)O[C@H]2[C@@H]2C(C)=CC[C@@H]12 145309149 SJRLAXDCOGHISS-UHBLESBASA-N 286.459 5.295 30 1 CKEF C=C[C@@H]1CC[C@H]2[C@@H]3CCC4=CC(=O)CC[C@]4(C)[C@H]3CC[C@]12C 2356552801 CSFSHOOQUIPHRO-CBQIQWOPSA-N 298.470 5.321 30 1 CKEF CCCCCC/C=C\CCCC(=O)CCCCCC(=O)O 217846142 VWEWTQPRFPEQEU-FPLPWBNLSA-N 296.451 5.288 30 1 CKEF C=N[C@]1(C)CC[C@H]2[C@@H]3C4=C(CC[C@H]31)CC(C)(C)C[C@H]4C[C@H]2C 2356573205 DKRUHPGQOBAZBQ-ZUYGJMNLSA-N 299.502 5.655 30 1 CKEF C=CCCCCCCCCCCC[C@H]1CC[C@H](CC)N1 5810938 PXXOCCKIKHYKDO-OALUTQOASA-N 279.512 5.994 30 1 CKEF C=C(C)[C@@H]1CC[C@]2(C)C(=C(C)C=C3CC[C@H]4CC[C@]32C4)C1 85550210 MCMWKWRONDAWIK-NLEAXPPASA-N 282.471 6.206 30 1 CKEF biogenic,in-vitro C=C1CC/C=C(\C)C/C=C2\[C@H](C(C)C)CC[C@@]2(C)C[C@@H]1O 169370906 LVJSJETVMXBUIN-OOSRUQFLSA-N 288.475 5.423 30 1 CKEF C=C/C(C)=C/C[C@H]1C(=C)CC[C@@H]2[C@@](C)(C=O)CCC[C@]12C 238771376 GBIAINFWNNBJAS-QGELRNQESA-N 286.459 5.487 30 1 CKEF CC[C@H](C)c1ccc2[nH]c(-c3ccc(C)o3)c(C#N)c2c1 587643240 SFTIZYZCTGVLMJ-NSHDSACASA-N 278.355 5.122 30 1 CKEF C=C1CC[C@@H]2[C@H]3[C@@H]1[C@@H](C=C(C)C)C[C@@H](C)[C@H]3CC[C@]2(C)C#N 2356332463 FVLMFTXDYSOHDO-LTGKAUERSA-N 297.486 5.747 30 1 CKEF CCCCCCCCCCC=CCCCCCC=C(C)C 2356525219 WXMWKAFAWRODOZ-UHFFFAOYSA-N 292.551 7.990 30 1 CKEF CCCCCCCC[C@@H]1[C@@H]2C=COc3cccc4c3[C@@H]2[C@H]1C4 2356530043 ANMHTSXDCQBWAR-WKRCXCSHSA-N 296.454 5.845 30 1 CKEF C[C@]12CC[C@H](C#N)C[C@@H]1CC[C@@H]1[C@@H]2CC[C@]2(C)CCC[C@H]12 2356711629 KLNWLDZOCLFNHL-OWLVHUDESA-N 285.475 5.559 30 1 CKEF C=C[C@@]1(C)C=C2CC[C@H]3C(C)(C)CCC[C@]3(C)[C@H]2[C@H](O)C1 215496740 XRBKENSBHAHCBU-YSDSKTICSA-N 288.475 5.112 30 1 CKEF C=C[C@]1(C)CC[C@]2(O1)[C@H](C)CC[C@@H]1C(C)(C)CCC[C@]12C 2356340786 YFIVBYGSVFHTOP-BDUQCRIQSA-N 290.491 5.743 30 1 CKEF CC[C@@H](C)c1ccc2[nH]c(-c3ccc(C#N)cc3)c(C)c2c1 587642590 NMEIOLPIQOUVRE-CYBMUJFWSA-N 288.394 5.529 30 1 CKEF C=C(C)[C@@H]1CC[C@@]2(C)CC(CNC3CCCC3)=CC(C)=C2C1 85550214 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C=C[C@H]1CC[C@H]2[C@@H]3CC[C@@]4(C=CC(=O)C=C4C)[C@H]3CC[C@@]21C 66112769 WBURTZSEYTVSRX-OPJRWSFGSA-N 296.454 5.097 30 1 CKEF C=C[C@]1(C)CCC2=C(CC[C@H]3[C@]2(C)CCC[C@@]3(C)CO)C1 5812159 KVGUVNVWQKGXAA-YSTOQKLRSA-N 288.475 5.258 30 1 CKEF biogenic C=CCCC/C=C\C/C=C\C/C=C\C/C=C\C/C=C\CC 103268650 FDYJPTFUAQLZOU-DYXXURTGSA-N 284.487 7.094 30 1 CKEF CCCCCCCCCCCC=CCCCOC(C)=O 2356562740 CBFTVSZYHOCWBZ-UHFFFAOYSA-N 282.468 5.807 30 1 CKEF CCCCCCCCC/C(C)=C/CCCCC(=O)O 86051517 DINXWFVSXJCVPK-JQIJEIRASA-N 268.441 5.718 30 1 CKEF Cc1ccc(/C=N/c2cc(C(C)(C)C)c(O)cc2C)cc1 95596139 XSIYKCQKXOORJV-UDWIEESQSA-N 281.399 5.057 30 1 CKEF C=C1C[C@@]23CC[C@H]4C(C)(C)CCC[C@@]4(C)[C@H]2CC[C@@H]1C3 95884311 ONVABDHFQKWOSV-JEIKXUOUSA-N 272.476 5.975 30 1 CKEF C=C1CC[C@@H]2C(C)(C)[C@H](O)CC[C@]2(C)[C@H]1CCC=C(C)C 2356490716 SWJDLCQNNNRLCD-JRBPQWBISA-N 290.491 5.502 30 1 CKEF CC(C)=CCC[C@@]1(C)[C@@H]2[C@H]1C(=O)C=C1CCC[C@H](C)[C@]12C 263590361 UMWCYOSJOSAMFG-RSMUXPGISA-N 286.459 5.321 30 3 CKEF C=C1CC/C=C(/C)C/C=C2\[C@H](C(C)C)CC[C@@]2(C)C[C@@H]1O 169370908 LVJSJETVMXBUIN-HWYNCXIXSA-N 288.475 5.423 30 1 CKEF CCCCCCCCCC=CCCCCCC(=O)O 2356516657 FJMPAYNWWWCODA-UHFFFAOYSA-N 268.441 5.718 30 1 CKEF CCCCCCCCCCC[C@H](C)CCCCC 86051432 RLXHXVUABXKBOE-GOSISDBHSA-N 254.502 7.124 30 1 CKEF endogenous,in-man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c1cccc(-c2ccccc2)c1 43640855 DGMIQXZYWGHJRM-UHFFFAOYSA-N 281.443 6.126 30 1 CKEF CCCCCCC/C=C\CCCCCCC(=O)OC 136146357 TXRBMMXPRSSDNL-KTKRTIGZSA-N 268.441 5.417 30 1 CKEF C=CCCCC/C=C/C#CCCCCCCCC(=O)OC 238759168 VHHWFPDVAWTGDX-CMDGGOBGSA-N 290.447 5.196 30 1 CKEF CCC[C@H]1CC=C(C#Cc2cc(Cl)ccc2OC)CC1 587912740 XQHWDAGCDCPXTI-AWEZNQCLSA-N 288.818 5.227 30 1 CKEF CCCCCCCCCC[C@H](C(=O)O)[C@@H]1C=CCC1 1911582812 ZSWWRSUXBRFEJM-CVEARBPZSA-N 266.425 5.184 30 1 CKEF C=C1C=C2C3(CCCC3)CC[C@H](C)[C@]2(C)[C@H]2[C@H]1C2(C)C 2356372979 PUBDYWLCNINXPO-XPYUAMARSA-N 270.460 5.751 30 1 CKEF C=C[C@]1(C)CC[C@H](C=CC=CC(C)(C)O)C[C@H]1C(=C)C 2356545872 QQDBPPOZJJEGCO-JENIJYKNSA-N 274.448 5.054 30 1 CKEF C=C1CC[C@@H]2[C@H](CCCC2(C)C)[C@H]1CCC(C)=CCO 2356588502 XDRPGZFCMHGZHI-RCCFBDPRSA-N 276.464 5.114 30 1 CKEF C[C@@H]1CCC[P@+](Cc2ccccc2)(c2ccccc2)CC1 73259036 DSICDDPAKCYBEI-NQIIRXRSSA-N 297.402 5.350 30 1 CKEF CCCCCCCCn1c(CN(C)C)cc2ccccc21 84727161 YMJLLTRKVXGIFT-UHFFFAOYSA-N 286.463 5.063 30 1 CKEF N#Cc1ccc(-c2ccccc2-c2nc3ccccc3o2)cc1 169350537 XINBQSYUXYBTTR-UHFFFAOYSA-N 296.329 5.033 30 1 CKEF C=CCc1cccc2nc(/C=C(\C)C3CCCCC3)[nH]c12 587967758 MIKQIJKONRFMAU-BUHFOSPRSA-N 280.415 5.275 30 1 CKEF C[C@@H]1C[C@@H]2CC(C)(C)CC3=CC[C@@H]4[C@H]([C@@H]1CC[C@]4(C)C#N)[C@H]32 2356679617 YQIDYSXUAWORQB-BMMISEIESA-N 297.486 5.581 30 1 CKEF CC[C@@H](C)c1ccc2[nH]c(-c3ccccc3)c(C#N)c2c1 587640928 GXOCUHBMXAIDES-CYBMUJFWSA-N 274.367 5.220 30 1 CKEF C=C(C)[C@@H]1CC[C@]2(C)C[C@H](O)C(C)=CCCC(C)=CC[C@H]12 2356439281 LREHNCVBQXWFSA-ZGXWSNOMSA-N 288.475 5.423 30 1 CKEF C=CC(=C)CC[C@H]1C(=C)CC[C@H]2C(C)(C)C[C@@H](O)C[C@]12C 238739803 SPUFXXJOJKNNJI-DOADOZAASA-N 288.475 5.278 30 1 CKEF CC#CCCCCCCCc1nc2ccc(CC)cc2[nH]1 587957226 TWRZUTBNCPMBCB-UHFFFAOYSA-N 282.431 5.032 30 1 CKEF CCCCCC/C=C/CCCCCCCCCC 64624505 VBDYOHYDAONYJK-FYWRMAATSA-N 252.486 7.044 30 1 CKEF in-vitro CCCCCCCCC[C@H](C)CCC[C@@H](C)CCCC 85644931 MEHFAVZCNHHAMJ-PMACEKPBSA-N 282.556 7.760 30 1 CKEF C=C[C@@]1(CO)CCC2=C(CC[C@H]3C(C)(C)CCC[C@]23C)C1 238777285 MMTGIQZFHVAIQV-DFQSSKMNSA-N 288.475 5.258 30 1 CKEF C=C(CCC=C(C)C)[C@H]1CC[C@@]2(C)CCCC(C)=C2C1 2356431748 CYHWNHHPEIUYBV-AZUAARDMSA-N 272.476 6.596 30 1 CKEF CCCCCCCCCCCCCC[P+](C)(C)C 103274064 OHTNPTBMCUYMRQ-UHFFFAOYSA-N 273.465 6.595 30 1 CKEF C=C1CCCCCCCCCC=C1SCCCSC 254114631 IJRWYEZCWZCGKD-UHFFFAOYSA-N 298.561 6.437 30 1 CKEF C=C1CC[C@@H]2C(C)(C)CCC[C@]2(C)[C@@H]1C[C@@H](C)CC(=O)O 2356537776 FZQHDLCXJGRXJE-NVQRDWNXSA-N 292.463 5.286 30 1 CKEF CCCCCC/C=C/CC/C=C/CCCC(=O)O 3648003 FHLHSNNZRDBQGE-NJHWEWLZSA-N 252.398 5.104 30 1 CKEF CCCCCCCCCCCCC[C@@H](O)CC(=O)CCC 86046706 FQXHGCYDYNKFFF-LJQANCHMSA-N 298.511 5.808 30 1 CKEF endogenous,in-man C=CCCCCCCC/C=C/C/C=C/Cc1cccc(O)c1 238777847 IXROXLNENZQWPQ-IWCZYTNJSA-N 298.470 6.354 30 1 CKEF C=C[C@]1(C)CC[C@]2(O1)[C@H](C)CC[C@H]1C(C)(C)CCC[C@]12C 2356340787 YFIVBYGSVFHTOP-LHDHZVESSA-N 290.491 5.743 30 1 CKEF COc1ccc(/N=C(/C2=C(O)CCC2)C2CCCCC2)cc1 101722931 OBZPNYDBLCMAPT-FMQUCBEESA-N 299.414 5.344 30 1 CKEF O=C(C=Cc1ccc(Cl)s1)c1ccc(Cl)s1 1857623586 SWOYNTHAVGKVJZ-UHFFFAOYSA-N 289.208 5.013 30 1 CKEF C=C(C)c1ccc2c(c1)CC[C@H]1C(C)(C)CCC[C@]21C 85558338 IDIWSEBYUXIQLJ-AZUAARDMSA-N 268.444 5.750 30 1 CKEF CCC/C=C/C(=O)[C@H](CC)CCCCCCCCCC 85734256 MQNYJGKKAZCXOA-UWXVCKHVSA-N 280.496 6.469 30 1 CKEF C=C1CC[C@H]2C[C@@H]3[C@H](C)C[C@H](O)[C@@]13[C@@]2(C)CCC=C(C)C 2356422720 TUJPCBFPRKBLRN-DUSDWVPTSA-N 288.475 5.112 30 1 CKEF C=C[C@@]1(C)C=C2CC[C@H]3C(C)(C)CCC[C@@]3(C)[C@H]2CC1 100780809 XDSYKASBVOZOAG-XEYPJELSSA-N 272.476 6.142 30 1 CKEF endogenous,in-man C=CC(C)=CC[C@@H]1C(=C)CC[C@@H]2C(C)(C)C[C@@H](O)C[C@@]12C 2356516054 KIFPWQJEMJLMAS-MLYOOKFZSA-N 288.475 5.278 30 1 CKEF C=C1CC[C@@H]2O[C@@]2(C)CC[C@](C)(CCC=C(C)C)[C@H]2C[C@H]12 137582036 XRFZADFFCSJKRS-DEPCRRQNSA-N 288.475 5.663 30 1 CKEF C=C1CCC[C@H](C)CC[C@]2(C)CC[C@@H](C(C)(C)O)[C@H]2CC1 2356329832 MPQZYYFISKOFRL-JRBPQWBISA-N 292.507 5.726 30 1 CKEF C=C(C)[C@@]1(O)C/C=C(\C)CC/C=C(\C)CC/C=C(\C)CC1 200044194 FHZBFUJNSBTONS-UYSOGGTPSA-N 288.475 5.877 30 1 CKEF C=C(C)[C@@H]1CC[C@]2(C)CC=C(C)CCC=C(CO)CC[C@H]12 2356794481 HXQKFSCRQHBTEY-ZCNNSNEGSA-N 288.475 5.424 30 1 CKEF C=C(C)c1cc(O)c2c(c1)CC[C@H]1C(C)(C)CCC[C@]21C 13302028 VDNVKKNJNBUMOY-PXNSSMCTSA-N 284.443 5.456 30 1 CKEF CC1=C(C[C@@H](C)CCCC(C)C)C(=O)c2ccccc2C1=O 1857605600 OQVXYXSRUXEPFL-AWEZNQCLSA-N 298.426 5.235 30 1 CKEF CCCCCCCCC=CCCCC[C@@H]1CCC(=O)O1 2356573402 MFJQEKNPFKHQHP-QGZVFWFLSA-N 280.452 5.559 30 1 CKEF CCCCCCCCCCCC[C@@H](O)C=CCCC(=O)O 2356605804 SCZSILIHRULXII-QGZVFWFLSA-N 298.467 5.079 30 1 CKEF CCSC(=O)/C=C(C)/C=C/C[C@H](C)CCCC(C)C 29315277 HFUCHYNQFVEUEK-RCSINJDYSA-N 282.493 5.621 30 1 CKEF C=C1CCC=C(C)CC[C@@H]2[C@@H]1C[C@]2(C)C(=O)CC=C(C)C 2356587815 YRSZRXAWRABNPZ-GGPKGHCWSA-N 286.459 5.631 30 1 CKEF CCC/C=C(\C)CCCCCCCCCCCCCCC 139486806 DQCLNBSKTOAKEY-XUTLUUPISA-N 294.567 8.214 30 1 CKEF C=C(C)[C@@H]1CC[C@]2(C)C[C@@H]3O[C@@]3(C)CCC=C(C)CC[C@H]12 2356504064 DAWVJYSOOMMDRV-YHDCXSKOSA-N 288.475 5.663 30 1 CKEF CCCCCCCC[C@@H](O)C=CCCCCCCC(=O)O 2356687510 RXBFKZNLXJKTLQ-QGZVFWFLSA-N 298.467 5.079 30 1 CKEF C=CC/C=C/CCCCCCCCCCCCC(=O)O 33822133 XUJZXUBHXZOWMW-SNAWJCMRSA-N 280.452 5.885 30 1 CKEF C=C(C)[C@@H]1CCC(C)=CCCC(C)=CCCC(C)=C[C@@H]1O 2356485311 AZUVBPVDRHGGEP-PMACEKPBSA-N 288.475 5.733 30 1 CKEF CCCCCCCCCCCCCC/C(=N\O)C(=O)OC 238783841 QFLWXPINJIZRLI-FBMGVBCBSA-N 299.455 5.081 30 1 CKEF CCCCCCCCCCC=CCCCC(=O)O 2356514698 KVXIRQZWCOAYRD-UHFFFAOYSA-N 254.414 5.328 30 1 CKEF CCCCCCCCC=CCCCC(=O)OC(C)C 2356580274 NPTCEHOFMYJTMW-UHFFFAOYSA-N 268.441 5.415 30 1 CKEF C[C@@H](C=NO)CCCCCCCCCCc1cccnc1 2356793861 HPHSFICRQYLWEU-QGZVFWFLSA-N 290.451 5.231 30 1 CKEF C=C[C@]1(C)CC[C@@H]2[C@@]3(C)CCCC(C)(C)[C@@H]3C=C[C@@]2(C)O1 85697336 LGZGZUXGOFLQOU-GRLGQGAKSA-N 288.475 5.519 30 1 CKEF CCCCCC/C=C\C[C@H](O)CCCCCCCC(=O)O 231612646 KNMSLQJUPUXEQJ-NLZINVLXSA-N 298.467 5.079 30 1 CKEF C=C1CCC[C@]2(C)CC[C@H](C(C)=CC=CC(C)(C)O)C[C@H]12 2356680806 VGVBCHZWSHUBLW-NLWGTHIKSA-N 288.475 5.423 30 1 CKEF C=C1CC[C@@H](C(=C)C)[C@@H]2C=C(C)C(=C)[C@@]3(CC=C(C)C3=O)[C@H]12 2356767582 FFKQCWPUBBEZDH-HUUJSLGLSA-N 294.438 5.183 30 1 CKEF C=CC[C@@H](Nc1ccc(Cl)cc1)c1ccsc1 29058063 NZULPZJFDLJJCJ-CQSZACIVSA-N 263.793 5.131 30 1 CKEF Cc1ccc(/C=C/C(=O)/C=C/c2ccc(C)cc2C)c(C)c1 49072839 IPTBRZKKULENLX-WGDLNXRISA-N 290.406 5.216 30 1 CKEF C#C[C@@H](O)/C=C\CCCCCCCCCCCCCCC 109197461 MQUXQBHHZDPZOB-JONULYECSA-N 292.507 6.018 30 1 CKEF CCCCCCCC[C@H](C)C/C=C\CCCCC(=O)O 169621904 QQHLKKIONMSFBT-GKUQOKNUSA-N 282.468 5.964 30 1 CKEF C=C1C=CC(C(C)C)=CCC(C)=CCCC(C)=CCC1 1857564731 TZYVOXDJSUJBRO-UHFFFAOYSA-N 270.460 6.538 30 1 CKEF C=C1CCC=C(C)CC[C@](C)(CCC=C(C)C)[C@@H]2C[C@H]12 2356506956 SLLJXDWDIIKACA-AQNXPRMDSA-N 272.476 6.452 30 1 CKEF C=C[C@](C)(CCC=C(C)C)OCC=C(C)CCC=C(C)C 2356437187 JUVDBJVBQRAZOR-HXUWFJFHSA-N 290.491 6.387 30 1 CKEF C=C(CCC(C)=CCC[C@H](C)c1ccc(C)cc1)C(C)C 2356643467 UBBKTKSNNRMAPA-FQEVSTJZSA-N 284.487 6.817 30 1 CKEF CCCCCCC[N+]1=C(C)C(C)(C)c2ccccc21 96928476 HEQCGZDBHDIKII-UHFFFAOYSA-N 258.429 5.053 30 1 CKEF CCCCCCCCCC[C@@]1(C)SC(O)=C(C)C1=O 101055812 GSZUYVOHQSBCMH-MRXNPFEDSA-N 284.465 5.381 30 1 CKEF CCCCCCC=CCCCC=CCCCCC(=O)OC 2356527565 IOYCVWCXFAUFKU-UHFFFAOYSA-N 294.479 5.973 30 1 CKEF CCCCCCCCCC=CCC=CC[C@@H]1O[C@H]1CC 2356579567 BDTRZWQPTAKTIF-OALUTQOASA-N 278.480 6.197 30 1 CKEF CCCCCCCC(/C=C(\C)C(=O)O)CCCCCCC 102180956 LJWGTWOYHJBWJZ-WUKNDPDISA-N 296.495 6.355 30 1 CKEF CC(C)=CCCC(C)=CCC1=CC(=O)c2ccccc2C1=O 2356430579 WALCBDVYDNDULV-UHFFFAOYSA-N 294.394 5.075 30 1 CKEF C=C/C(C)=C/C[C@H]1C(=C)CC[C@H]2C(C)(C)[C@H](O)CC[C@]12C 28539630 QSFSRHYSSAIFJK-JNGNNLHHSA-N 288.475 5.278 30 1 CKEF C=C[C@@](C)(/C=C/c1ccc(OC)c(O)c1)CCC=C(C)C 29062520 HISVSMJTUVZETC-XSSIKURBSA-N 286.415 5.353 30 1 CKEF C=C[C@]1(C)CC[C@H]2[C@@]3(C)CCCC(C)(C)[C@H]3CC[C@@]2(O)C1 238763016 IYDAPILQPCDHTO-LWASTNQWSA-N 290.491 5.336 30 1 CKEF CCCCCCCCCCC[C@@]1(C)SC(=O)[C@H](C)C1=O 53684938 ZRYCZUSBOKDGGM-RHSMWYFYSA-N 298.492 5.145 30 1 CKEF CCCCCCCCC=CCCCCCCCC#N 2356664421 UIAMCVSNZQYIQS-UHFFFAOYSA-N 263.469 6.547 30 1 CKEF Cc1ccc(C2=CC(=O)C[C@H](c3ccc(Cl)cc3)C2)cc1 36388398 ZIBKOYVYWIEYJZ-QGZVFWFLSA-N 296.797 5.179 30 3 CKEF CCCCCC/C=C\CCCCCCCCCC 64624507 VBDYOHYDAONYJK-SQFISAMPSA-N 252.486 7.044 30 1 CKEF in-vitro C=C[C@@]1(C)CC[C@@]2(C)[C@@H]3CCCC(=C)[C@@]3(C)CC[C@@H]2C1 238755962 GHYZJFFJSPZRIU-OUUBHVDSSA-N 272.476 6.142 30 1 CKEF biogenic C=C[C@]1(C)CCC2=C(C1)[C@H](O)C[C@H]1C(C)(C)CCC[C@@]21C 2356563726 BAKYAXFGNOBGHJ-BWPNAZKDSA-N 288.475 5.256 30 1 CKEF C=CC=CCC=CC[C@@H]1O[C@H]1CCCCCCCCCC 2356606725 BXFNNIGYLSZPIT-PMACEKPBSA-N 290.491 6.363 30 1 CKEF C=C[C@@]1(C)CC[C@H](/C(C)=C/C=C/C(C)(C)O)C[C@@H]1C(=C)C 34375103 PGZCBHXBAUSEPY-VHSBKHBUSA-N 288.475 5.445 30 3 CKEF CCCCCCC/C(C)=C/[C@@H](C/C=C/CCC(=O)O)OC 85881928 RDADKZPYWXITRK-XHSBUVFJSA-N 296.451 5.119 30 1 CKEF CCCCCCCCS[C@H](CCC)C(=O)C(F)(F)F 103184540 QFBLAZRMMMFKEG-GFCCVEGCSA-N 298.414 5.380 30 1 CKEF C=C[C@]1(C)CC[C@H]2C(=CC[C@@H]3[C@@]2(C)CCC[C@@]3(C)CO)C1 104878433 DUEINKIQNGZKPL-KNJMJIDISA-N 288.475 5.114 30 1 CKEF C=C1C(=O)[C@@]23CC[C@H]4C(C)(C)CCC[C@@]4(C)[C@H]2CC[C@@H]1C3 238731168 QDDOPNSTHQXUQO-KMJHBWPFSA-N 286.459 5.154 30 1 CKEF CCCCC=CCCCCCCCCCCCC 2356619256 YIYQJOMDMPTKEL-UHFFFAOYSA-N 252.486 7.044 30 1 CKEF CCCCCC/C=C/C/C=C/C/C=C/CCCC(=O)O 102181937 OQKSACYFUKAOOJ-SPOHZTNBSA-N 278.436 5.661 30 1 CKEF C=C[C@]1(C)CC=C2[C@H](CC[C@@H]3C(C)(C)C(=O)CC[C@@]23C)C1 2356619403 GGLGUPAUBNQEAP-FCNFAXOHSA-N 286.459 5.321 30 1 CKEF C=CC[C@@H](Nc1ccc(Cl)c(Cl)c1)c1ccco1 29058487 AOPCLXXPQASCPL-CYBMUJFWSA-N 282.170 5.316 30 1 CKEF CCCCCCCCC[C@@H](O)CC[C@H](C)CCC 86051512 OHRJXSIOKJTNKF-IAGOWNOFSA-N 256.474 5.704 30 1 CKEF CC(C)C1=C[C@@H]2C=C[C@H]3[C@@](C)(CCC[C@@]3(C)C=O)[C@@H]2CC1 2356634252 CQHXWPMUHGVWES-MDMHHNQBSA-N 286.459 5.176 30 1 CKEF C=C(C)[C@H]1CCC=CCCC(C)=C(C)C[C@@H](C(=C)C)C1 2356664944 OPYGHCIMUFZJNR-VQTJNVASSA-N 272.476 6.618 30 1 CKEF CCCC=CC#CCC=CCCCCCCCC(=O)O 2356673332 HJYQCZVMQAYTMN-UHFFFAOYSA-N 276.420 5.108 30 1 CKEF C[C@H]1C[C@H]2CC(C)(C)CC3=CC[C@H]4[C@H]([C@@H]32)[C@@H]1CC[C@]4(C)C#N 40893197 YQIDYSXUAWORQB-CFYDALQJSA-N 297.486 5.581 30 1 CKEF C=C/C=C\C/C=C\C[C@@H]1O[C@@H]1CCCCCCCCCC 148124496 BXFNNIGYLSZPIT-RYKHLLNTSA-N 290.491 6.363 30 1 CKEF CCCCCC/C=C\C/C=C\C[C@H]1O[C@H]1CCCCC 169622817 POOQINPZQWHSMY-BLHNFABKSA-N 278.480 6.197 30 1 CKEF COc1ccc(Cl)cc1C#CCc1ccccc1C(C)C 587898820 RIMCTXZPKFMBDD-UHFFFAOYSA-N 298.813 5.066 30 1 CKEF CCC=CCCCCCCCCCCCCCCCC 2356666491 AKTLQTMAOYZJGI-UHFFFAOYSA-N 280.540 7.824 30 1 CKEF CC(/C=C/C(=O)c1cccc(C)c1C)=C\C=C\C(C)C 13398882 BNSQTUIHRYGJIZ-LEBDXYBYSA-N 268.400 5.201 30 1 CKEF CCCCCCCC/C=C\CCCCCCCCCC 79022949 UVLKUUBSZXVVDZ-ZPHPHTNESA-N 280.540 7.824 30 1 CKEF C=C[C@]1(CO)CC[C@H]2C(=CC[C@H]3C(C)(C)CCC[C@]32C)C1 85946809 BBKZUFMCDLTYDK-ZULIPRJHSA-N 288.475 5.114 30 1 CKEF C=C1CCC[C@@H]2[C@]1(C)CC[C@H](C)[C@]2(C)CCC(C)=CCO 2356449035 YMTCQCWFYXOJRY-LWYYNNOASA-N 290.491 5.504 30 1 CKEF C[C@H](C=NO)CCCCCCCCCCc1cccnc1 2356793859 HPHSFICRQYLWEU-KRWDZBQOSA-N 290.451 5.231 30 1 CKEF Clc1ccc(/N=C\c2cccc3ccccc23)cc1 103274989 ASAPLFOBFRHPOI-UNOMPAQXSA-N 265.743 5.244 30 1 CKEF C=C[C@@]1(C)C=C2CC[C@@H]3[C@@](C)(CCC[C@@]3(C)OC)[C@@H]2CC1 238764681 ZPUFEJHXXOGJTD-LTFPLMDUSA-N 288.475 5.520 30 1 CKEF CC(C)=C[C@@H]1C[C@H](C)[C@@H]2CC[C@](C)(C#N)[C@@H]3CCC(C)=C1[C@H]23 2356333468 RBUNFUSZHCJPFL-DJERSHOGSA-N 297.486 5.891 30 1 CKEF C=C(C)[C@@H]1C/C=C(\C)CC/C=C(/C)CC/C=C(/C)CC1=O 5132429 FHFFESCITRPPTG-XECYNXTNSA-N 286.459 5.941 30 1 CKEF C=C[C@](C)(CCC=C(C)C)C[C@H](O)c1ccc(OC)cc1 29063057 MWBAUAVSLVLMCV-RBUKOAKNSA-N 288.431 5.057 30 1 CKEF C=C(CCC=C(C)C)[C@@H]1CC[C@@H](C)[C@]12CC=C(C)CC2 59779333 REUUHHGDDCLKJR-HSALFYBXSA-N 272.476 6.452 30 1 CKEF CCCCCCCCCCCC[C@H](C)CC(=O)OC 86051906 SQBBBZZOPNKZOQ-INIZCTEOSA-N 270.457 5.497 30 1 CKEF C=C1CC/C=C(\C)CC[C@@H]2[C@@H]1C[C@@]2(C)CC[C@H]1OC1(C)C 140232316 DZMXLXZJXQGYQL-STARRVPDSA-N 288.475 5.663 30 1 CKEF C/C1=C\CC2=CC[C@@H](C(C)C)[C@]2(C)CC(=O)/C(C)=C/CC1 154881642 CBNJKHFHKYZNCB-LFWPEKJKSA-N 286.459 5.631 30 1 CKEF C=C1CC[C@@H]2O[C@]2(C)CC[C@@H]2[C@@H]1C[C@]2(C)C1CCCCC1 2356433060 VGBVUROPESYSGY-OUUBHVDSSA-N 288.475 5.497 30 1 CKEF C=C(C)CCC[C@H](C)[C@@H]1CC=C(C)[C@@H]2CCC(C)=C[C@@H]12 2356608834 VAEPEPZBSPXQDJ-FRYIKTPZSA-N 272.476 6.308 30 1 CKEF C=C[C@](C)(O)CC[C@]1(C)[C@@H]2CCC=C(C)[C@]2(C)CC[C@H]1C 14928157 YBDUXZKWDIUNSG-SLHNCBLASA-N 290.491 5.502 30 1 CKEF endogenous,in-man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c1ccccc1 29311326 RFAPSKXNSZVNSL-NSBPEYFCSA-N 298.470 6.224 30 1 CKEF CCCCCCCCCCCCCCC[C@](C)(O)CO 102186243 UVWGPURJCQCTFD-SFHVURJKSA-N 286.500 5.211 30 1 CKEF C=C[C@@](C)(O)CC[C@@H]1C(C)=CC[C@H]2C(C)(C)CCC[C@]12C 85993704 YHUUQRPBUXILLV-PIKOESSRSA-N 290.491 5.502 30 1 CKEF CC(C)C1=CC2=C(CC1)[C@@]1(C)CCC[C@](C)(C=O)[C@H]1CC2 238757174 MDWQSNIQXHNTCK-VAMGGRTRSA-N 286.459 5.465 30 1 CKEF C=C[C@]1(C)CC[C@@]2(C)[C@@H]3CCC[C@](C)(O)[C@@]3(C)CC[C@@H]2C1 238767068 PFYWZTPNCFKPHI-FZWBFHRNSA-N 290.491 5.336 30 1 CKEF C=CC=CCC=CC[C@@H]1O[C@@H]1CCCCCCCCCC 2356606727 BXFNNIGYLSZPIT-VQTJNVASSA-N 290.491 6.363 30 1 CKEF CCCCCCCCC#C/C=C/CCCCCC(=O)O 28541393 BWSIKEZDJMZITO-VAWYXSNFSA-N 278.436 5.332 30 1 CKEF in-vivo C=C1CC[C@@]2(C)[C@@H](C(C)C)CC[C@@H]2[C@H]2C=C(C)CC[C@H]12 85888909 GDWHZVKIZMYMPM-IVDHNXQLSA-N 272.476 5.997 30 1 CKEF C=C[C@]1(C)C=C2CC[C@H]3[C@@](C)(CCC[C@@]3(C)OC)[C@@H]2CC1 2356485967 ZPUFEJHXXOGJTD-JAZQRGJZSA-N 288.475 5.520 30 1 CKEF C=C1[C@H](C)[C@@H]2CC[C@H](C)C3=C2[C@@H](C(=C)CC3)[C@H]1C=C(C)C 2356791601 ITDOFYBZPNJDEE-NCUIPMJOSA-N 282.471 6.084 30 1 CKEF CCCCCCCC/C=C/CCCCCCOC(N)=O 43285411 ZIOMPDFWAGJYDI-MDZDMXLPSA-N 283.456 5.339 30 1 CKEF CCCCC/C=C\C/C=C\CCCCCCCCCCC 135872874 PKSRTLMYBDFSLD-OHNCOSGTSA-N 292.551 7.990 30 1 CKEF C=CCCC/C=C\C/C=C\CCCCCCCC(=O)O 205144072 JJTZDTIVFFYIOY-HZJYTTRNSA-N 278.436 5.661 30 1 CKEF CCCCCCCCCCc1cnc2cccc3c2c1CC3 587212958 DRMJRTFHAYQXCX-UHFFFAOYSA-N 295.470 6.017 30 1 CKEF C=C1C=C2CCC[C@H](C3CCCCC3)[C@]2(C)[C@@H]2[C@@H]1C2(C)C 2356391611 VKQASLIMXISWDF-ANTGDGSKSA-N 284.487 6.142 30 1 CKEF C=CCCCCCCC[C@@H]1O[C@@H]1C[C@@H]1O[C@@H]1CCCCC 86046753 FTZXJBAYTPNIQD-YDZRNGNQSA-N 294.479 5.408 30 1 CKEF CCCCC/C=C\C/C=C\C/C=C\CCCCCCC 169622597 JYLZAJNZMATBKX-DAWNVERKSA-N 276.508 7.376 30 1 CKEF C=C[C@]1(C)CC[C@@H]2[C@@](C)(CC[C@@H]3C(C)(C)CCC[C@@]23C)O1 229960354 IGGWKHQYMAJOHK-QQXMDYFESA-N 290.491 5.743 30 1 CKEF C=C(C)C[C@@H]1C[C@H](C)[C@@H]2CC[C@](C)(C#N)[C@@H]3CCC(=C)[C@H]1[C@@H]23 2356333265 OSTUOHSDKCQCCA-QJSKAATBSA-N 297.486 5.747 30 1 CKEF C=C[C@](C)(CCC=C(C)C)OC/C=C(\C)CCC=C(C)C 88266254 JUVDBJVBQRAZOR-IAERKFLBSA-N 290.491 6.387 30 1 CKEF C=C(C)[C@@H]1CC[C@]2(C)C/C=C(\C)CC/C=C(\C)C(=O)C[C@@H]12 102402480 QWFVFRAHUCTMJX-SJGBTTITSA-N 286.459 5.631 30 1 CKEF C=C(C)[C@@H]1CC[C@]2(C)C/C=C(/C)CC/C=C(\C)C(=O)C[C@@H]12 169296119 QWFVFRAHUCTMJX-KDTNELSNSA-N 286.459 5.631 30 1 CKEF C/N=C/[C@H](C)CCCCCCCCCCc1cccnc1 238785088 KJJVPOMEBITQDT-RILMWAFASA-N 288.479 5.472 30 1 CKEF C=C[C@]1(C)CC[C@@H]2C(=CC[C@@H]3C(C)(C)C(=O)CC[C@]23C)C1 2356432339 YAXFLCDQLAZOPS-XNFNUYLZSA-N 286.459 5.321 30 1 CKEF C=C(CCC=C(C)C)[C@@H]1CC[C@]2(C)[C@@H](O)CC=C(C)[C@@H]2C1 2356595601 NJRDJVYVVKTPQA-FYQPLNBISA-N 288.475 5.423 30 1 CKEF CCCC/C=C/CC/C=C/CCCCCCCCCCC 238760651 LBLSBMUWVIFTHP-QNBOAHBYSA-N 292.551 7.990 30 1 CKEF C=C[C@]1(C)C=C2CC[C@H]3[C@@](C)(CCC[C@@]3(C)OC)[C@H]2CC1 2356485969 ZPUFEJHXXOGJTD-VYJAJWGXSA-N 288.475 5.520 30 1 CKEF CCCCCCCCCCC[C@]1(C)SC(O)=C(C)C1=O 101074583 PDMSMXBVRXSPDS-KRWDZBQOSA-N 298.492 5.771 30 1 CKEF C[C@@H](/C=C/C(=O)/C=C/[C@@H](C)c1ccccc1)c1ccccc1 169699864 UWEVNZJEGAOQET-JHKMRUOLSA-N 290.406 5.275 30 1 CKEF CCCCCCCCCC(=O)/C=C/C=C/CCCC(=O)O 238760371 UXONISNZWGFLGH-KDFHGORWSA-N 294.435 5.064 30 1 CKEF C=C(C)[C@@H]1CC[C@@]2(C)CC=C(C)CCC=C(C)CC[C@H]12 2356420719 KZHMFCYCMBPVGZ-XUVXKRRUSA-N 272.476 6.452 30 1 CKEF CC(C)C1=CC2=CC[C@@H]3[C@@](C)(CCC[C@@]3(C)C=O)[C@@H]2CC1 14410396 HOFSYSONRIGEAC-FYQPLNBISA-N 286.459 5.321 30 1 CKEF endogenous,in-man Cl/C(=N\Nc1ccc(Cl)c(Cl)c1)c1ccccc1 27617310 KAUFGENYYIOSEG-AQTBWJFISA-N 299.588 5.006 30 1 CKEF C=CC(=C)CC[C@@]1(C)[C@H](C)CC[C@@]2(C)C(C)=CCC[C@H]12 85599095 DTIVNEHSCKVQIB-ZRNYENFQSA-N 272.476 6.308 30 1 CKEF CCCCCCC/C=C\[C@H](O)CCCCCCCC(=O)O 102183902 UYTAXAWTQDKVBD-IFCKCIONSA-N 298.467 5.079 30 1 CKEF CC(C)=C1C(=O)C[C@]2(C)C/C=C(/C)CC/C=C(\C)CC[C@@H]12 138924879 YETBHHZORHIONL-HFEGXNHFSA-N 286.459 5.775 30 1 CKEF CCCCCCCCCCCCC[C@H]1CCC[C@@H](C)N1 59213297 AJAXYTHTWGIEHL-MOPGFXCFSA-N 281.528 6.218 30 1 CKEF C=C[C@](C)(C/C=C(\C)CCC=C(C)C)CCC=C(C)C 85944770 MFGOTAHWOBKNNU-SSUIOBEFSA-N 274.492 7.008 30 1 CKEF endogenous,in-man CCCCCCC=CCC#CCCCCCCCC(=O)O 2356572095 OLGBGCGVRZOTKN-UHFFFAOYSA-N 292.463 5.722 30 1 CKEF C=CCCCC[C@H]1CC[C@@H](CCCCCCCCC)N1 36294957 VJYHAIYEEJOCLT-RBUKOAKNSA-N 279.512 5.994 30 1 CKEF in-vivo CC[C@@H](C)c1ccc2[nH]c(C3CCCC3)c(C#N)c2c1 587643519 UYQKFWDVQCLFHA-GFCCVEGCSA-N 266.388 5.211 30 1 CKEF CCCCCCCCC=C(C)[C@@H](C)CCCCC(=O)O 2356690838 MNSUWUQEFXNMNR-KRWDZBQOSA-N 282.468 5.964 30 1 CKEF CCCCCCCC/C=C/CCCCCCOC(C)=O 59725355 QVXFGVVYTKZLJN-ZHACJKMWSA-N 282.468 5.807 30 1 CKEF C=C(C)[C@@H]1CC(=O)[C@]2(C)CC=C(C)CCC=C(C)CC[C@@H]12 254013445 RNHJVFUOEQKJEA-CMKODMSKSA-N 286.459 5.631 30 1 CKEF CCCCCCCCCCCCCCn1ccc(=N)cc1 377848906 AVXXZFUGIKDFJH-UHFFFAOYSA-N 290.495 5.669 30 1 CKEF C=CCC[C@]1(CCC)CC(=O)c2ccc3c(c2O1)CCCC3 587525185 QNDBTFYYZHFKKM-HXUWFJFHSA-N 298.426 5.036 30 1 CKEF CCCCCCCCC=CCCCCCCCCCCC 2356347352 NVBODECJSYHQIE-UHFFFAOYSA-N 294.567 8.214 30 1 CKEF CCCCCCCC[C@H](C)CCC[C@H](C)[C@H](C)O 100225484 VCMNTYQFWXTWTL-ULQDDVLXSA-N 256.474 5.560 30 1 CKEF CCCCCCCCCCCCCC[C@H](CO)NCC 14127930 NBFXPOZVZVLLKA-GOSISDBHSA-N 285.516 5.048 30 1 CKEF CCCCCCCC(=O)Nc1cccc(-c2ccccc2)c1 43640893 BPYUZXVZEHSJJE-UHFFFAOYSA-N 295.426 5.653 30 1 CKEF CCCCCCCCC/C=C\CCCCCCCC=O 59725616 AKQYTSLMKKEXOK-KHPPLWFESA-N 280.496 6.613 30 1 CKEF CCCCCCCCCCC/C=C/[C@H](O)CCCC 201956450 KGMZHYFEPXCLEC-WBWKYDSYSA-N 268.485 6.015 30 1 CKEF C=C[C@](C)(O)CC[C@@H]1C(=C)CC[C@@H]2[C@H]1CCCC2(C)C 2356643801 GVOGOQOITKASLT-NTDBWNAOSA-N 276.464 5.112 30 1 CKEF C=C(C)[C@@H]1CC[C@]2(C)[C@@H]1CC[C@]1(C)CC=C(C)CC[C@H]12 137220231 FENGPFCAXVOXCJ-MFKWGIFDSA-N 272.476 6.142 30 1 CKEF CCCCCC/C=C/CCC(=O)CCCCCCCC 148552938 LLUGFFSGUQULMF-WYMLVPIESA-N 280.496 6.613 30 1 CKEF CCCCCCC=CCCCCCC(=O)OC(C)C 2356464780 BYTFCQILGDNDRH-UHFFFAOYSA-N 268.441 5.415 30 1 CKEF C=C1CC[C@@H]2C(C)(C)[C@H](O)CC[C@@]2(C)[C@@H]1CC=C(C)CC 2356599780 LUHDNSLUUHBFFZ-MLYOOKFZSA-N 290.491 5.502 30 1 CKEF C=C1CCC[C@@]2(C)c3ccc(C(C)C)cc3CC[C@H]12 86047411 ZPQHNIHJSIZREW-IEBWSBKVSA-N 254.417 5.370 30 1 CKEF endogenous,in-man C=C(C)C=CC[C@H](C)CCC[C@@H](C)CCC[C@H](C)CC 2356380465 HPXTYQIQNKBSIK-AABGKKOBSA-N 278.524 7.168 30 1 CKEF C=C[C@@H](C)CCCCCC[C@H]1C=CC(C)=C2CCCN21 2356833676 KIMXRWLLTIHIDG-AEFFLSMTSA-N 273.464 5.457 30 1 CKEF CCCCCCCCCC/C=C\C/C=C\C[C@H]1O[C@H]1CC 169622820 JVTLYSCCWUIAHP-XMARUINKSA-N 292.507 6.587 30 1 CKEF C=CCc1cc(-c2ccc(C(F)(F)F)cc2)ccc1OC 72114711 IMPIAUVSUXNHLU-UHFFFAOYSA-N 292.300 5.110 30 1 CKEF CCCCCCCCCCCC/C=C/C1=C[C@H](C)OC1=O 86052281 OWNIRRPVQFRFNQ-ZWKQNVPVSA-N 292.463 5.725 30 1 CKEF O/N=C\CCCCCCCCCCCCc1cccnc1 238743556 YIKIXUVCHTYMDW-SILNSSARSA-N 290.451 5.375 30 1 CKEF C=C1CCC[C@H](C)CC[C@@H]2[C@@H]1C[C@]2(C)C[C@@H](O)C=C(C)C 2356481532 SWVGUQAPYSRDOO-FLNBYBTLSA-N 290.491 5.502 30 1 CKEF CCCCCCCCC=C[C@H](O)CCCCCCC(=O)O 2356654752 JEXIZLHRWZNJIX-KRWDZBQOSA-N 298.467 5.079 30 1 CKEF C=C1C=C[C@@H](C(C)C)CCC(C)=CCCC(C)=CCC1 2356738729 VYWGLUCGRVXWKB-HXUWFJFHSA-N 272.476 6.618 30 1 CKEF C=C(C)[C@@H]1CC[C@]2(C)CC([C@H](C)CCC=O)=C(C)CC[C@H]12 2356473602 KIYQGIHXABMIHF-MCYKXBRJSA-N 288.475 5.711 30 1 CKEF C=CCOC1=C(C)C(=O)S[C@]1(C)CCCCCCCC 43989715 PCKZPOIVPNUWMZ-QGZVFWFLSA-N 296.476 5.246 30 1 CKEF CC1(C)CCC[C@@]2(C)[C@H]1CC[C@]13C[C@H](CC[C@H]21)[C@]1(CO1)C3 85696648 IVLAOQKNYRWCMZ-LOBZHTCKSA-N 288.475 5.188 30 1 CKEF CCCCCCCCC[C@H](O)CC[C@H](C)CCC 86051511 OHRJXSIOKJTNKF-SJORKVTESA-N 256.474 5.704 30 1 CKEF CCc1ccc(/C=N/c2cc(C)c(O)cc2C(C)C)cc1 95594451 PTPZNYOKNTWDIC-UDWIEESQSA-N 281.399 5.137 30 1 CKEF CCCCCCCCCCC/C=C\CC/C=C\C(=O)O 102181871 VXVWCUMIPQWFRF-NQJJCMTOSA-N 280.452 5.885 30 1 CKEF COc1ccc(Cl)cc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c1cc(CC(C)(C)C#N)cc(C(C)(C)C)c1 12466266 MLJGPXQTDFPCAF-UHFFFAOYSA-N 296.458 5.169 30 3 CKEF Cc1ccc2c3c1CCCC(C)(C)[C@H]3C(=O)C(C(C)C)=C2 198429435 SJEIANAZXUWQML-GOSISDBHSA-N 282.427 5.063 30 1 CKEF CC#CCCCCCCCc1nc2cc(C)cc(C)c2[nH]1 587956894 LSLBBWFTRGWJJN-UHFFFAOYSA-N 282.431 5.086 30 1 CKEF CC=C1CC[C@@H]2[C@@H]3CCC4=CC(=O)CC[C@@H]4[C@H]3CC[C@]12C 2356496681 XVMUJEVXMOHDQB-OMQSBVIBSA-N 284.443 5.075 30 1 CKEF CC1=CCCC(C)=CC[C@@]2(C)O[C@H]2CC(C)(C)C=CC1 2356799438 ULLDPDRGWMLDHT-PKOBYXMFSA-N 274.448 5.583 30 1 CKEF CCCCCC/C=C\CCCCCCCC(C)=O 85478862 KZXNFRBVPGNOIW-HJWRWDBZSA-N 252.442 5.833 30 1 CKEF CCCCCCCCCC/C=C/CCCC(=O)O 85836524 KVXIRQZWCOAYRD-VAWYXSNFSA-N 254.414 5.328 30 1 CKEF endogenous,in-man C#CC=CCCCC#CCCCCCCCCCC#C 2356806377 VSLPVHUEKMZVAV-UHFFFAOYSA-N 268.444 5.494 30 1 CKEF CCCCCCCCCCC/C=C/C=C/C(=O)O 102181782 OOJGMLFHAQOYIL-SQIWNDBBSA-N 252.398 5.104 30 1 CKEF C=CC(=C)CCC=C(C)CC[C@H]1C(=C)CCCC1(C)C 2356389875 JYLFEIJIZTXUNT-IBGZPJMESA-N 272.476 6.618 30 1 CKEF C=C1C=C2CCC[C@H](C3CCCCC3)[C@]2(C)[C@@H]2[C@H]1C2(C)C 2356391612 VKQASLIMXISWDF-RCLSDMTESA-N 284.487 6.142 30 1 CKEF C=C(C)[C@@H]1CC[C@]2(C)C[C@@H]3C(=C)CC[C@H](O)[C@@]3(C)CC[C@@H]12 140128116 WBWAXKFVGXKKMW-GXUNQHPWSA-N 288.475 5.112 30 1 CKEF C=C1CCC=C(C)CC=C2[C@H](C(C)C)CC[C@@]2(C)C[C@@H]1O 253666552 LVJSJETVMXBUIN-IHPCNDPISA-N 288.475 5.423 30 1 CKEF C[C@@H](C#N)c1c(-c2ccccc2)[nH]c2ccc(F)c(Cl)c12 587629994 COYLLDSQASEXSD-JTQLQIEISA-N 298.748 5.254 30 1 CKEF C=C(C)[C@@H]1CC[C@]2(C)C=C[C@@H](C)CCC=C(C)CC[C@@H]12 2356504097 DQSHCYDPVQKJSC-MUGJNUQGSA-N 272.476 6.308 30 1 CKEF N#Cc1c(-c2ccc(Cl)cc2)sc2ccccc12 28816743 VFTOJXZADHFOFB-UHFFFAOYSA-N 269.756 5.093 30 1 CKEF CC(C)=C1C(=O)C[C@]2(C)C/C=C(\C)CC/C=C(\C)CC[C@@H]12 31872069 YETBHHZORHIONL-FHENHQJDSA-N 286.459 5.775 30 1 CKEF CCCCCCCCCCCC/C=C/C1=C[C@@H](C)OC1=O 86052282 OWNIRRPVQFRFNQ-IAOULYHDSA-N 292.463 5.725 30 1 CKEF CCCCCC/C=C/CCCC/C=C/CCCC(=O)O 90194186 GMEOMWBQHUIYIE-SCCLZRITSA-N 280.452 5.885 30 1 CKEF CCCCCCCCC/C=C\CC/C=C\CCC(=O)O 102181888 ZUJRIJVETNXFEO-JPTBNZNUSA-N 280.452 5.885 30 1 CKEF C=CCCCCC1=N[C@@H](CCCCCCCCC)CC1 36294955 NNAFMHTUNBLVDA-IBGZPJMESA-N 277.496 6.477 30 1 CKEF in-vivo C=C[C@@]1(C)CC[C@@]2(C)[C@@H]3CCCC(C)(C)C3=C[C@@H]1[C@@H]2C 64633839 LVOPFKOBFNNZTP-OIUNUZSUSA-N 272.476 5.997 30 1 CKEF in-vitro CCCCCCCCCCCCCC/C=C\C(=O)O 102181816 GEHPRJRWZDWFBJ-NXVVXOECSA-N 268.441 5.718 30 1 CKEF C=C[C@@](C)(O)CC[C@@]1(C)[C@@H](C)CC[C@]2(C)C(C)=CCC[C@H]21 238759223 YBDUXZKWDIUNSG-UTBUEMAESA-N 290.491 5.502 30 1 CKEF COc1ccc(Cl)cc1C#CCc1cccc(C(C)C)c1 587898940 UNAVPJMSDRIECL-UHFFFAOYSA-N 298.813 5.066 30 1 CKEF C=C(C)[C@@H]1CC[C@]2(C)CC=C(C)CC[C@@H](O)C(C)=CC[C@@H]12 2356585649 XLVICQJWBTVGFZ-HAGHYFMRSA-N 288.475 5.423 30 1 CKEF CC(C)=CCC=C(C)[C@@H]1CC[C@]2(C)C[C@@H]3O[C@]3(C)CC[C@H]12 2356570946 ASQCCLQPLZWFHT-PXTPFGJHSA-N 288.475 5.663 30 1 CKEF C=C[C@]1(C)CC[C@@]2(C)[C@@H]3C=CC(=O)C(=C)[C@@]3(C)CC[C@@H]2C1 2356794936 IFQOXYBOGBKXMZ-YHUYVZNPSA-N 284.443 5.097 30 1 CKEF CCCCCCCCCCCCC/C=C1\C[C@H](C)OC1=O 1857757683 MQNVCCJFIZTUMX-XMGGNUPJSA-N 294.479 5.949 30 1 CKEF C=C[C@@](C)(O)CCC1=C(C)CC[C@@H]2C(C)(C)CCC[C@@]12C 85993745 UHEFGGUIARHISN-RLLQIKCJSA-N 290.491 5.647 30 1 CKEF C=N[C@]1(C)CC[C@H]2[C@H]3[C@H]1CC[C@@H](C)[C@@]3(C=CC(=C)C)C[C@H]2C 2356681736 FERSXRCCIOZICY-CJAFCWQJSA-N 299.502 5.677 30 1 CKEF C=C1C=C2[C@@H](C[C@@H]1O)[C@@H](C)CC[C@@H]2[C@@H](C)CCC=C(C)C 40876818 LSNWEASZDHWOHD-MBWIEIAOSA-N 288.475 5.278 30 1 CKEF CC(C)C1=CC2=CC[C@@H]3[C@@](C)(C=O)CCC[C@@]3(C)[C@@H]2CC1 1532409 HOFSYSONRIGEAC-WTGUMLROSA-N 286.459 5.321 30 1 CKEF endogenous,in-man CCCCCCCCCCCCCCC#CC(=O)O 64528516 VHVMWCWIYITOLN-UHFFFAOYSA-N 266.425 5.166 30 1 CKEF in-vivo C=CC(=C)CC[C@@H]1[C@H](C)CC[C@@H]2C(C)(C)CCC[C@@]12C 2356415450 LUKIBLCEDWYPJC-MLYOOKFZSA-N 274.492 6.388 30 1 CKEF C=CCCCC=CCC=CCC=CCC=CCCCCC 2356670010 WMMKRRHSYGLRHN-UHFFFAOYSA-N 286.503 7.318 30 1 CKEF CCCCCCCCCCC[C@@H]1O[C@H]1CCCCC(=O)O 8437403 PVMIAUUBHIBDJY-IRXDYDNUSA-N 298.467 5.320 30 1 CKEF biogenic CCCCCCCCCCCCCC(=O)C[C@@H](O)CCC 86046701 WNLRMZGLDCCKMT-SFHVURJKSA-N 298.511 5.808 30 1 CKEF endogenous,in-man CCCCCCCC=CCC=CCCCCC(=O)O 2356475988 XQRHREDEJPUUPG-UHFFFAOYSA-N 266.425 5.494 30 1 CKEF C=C(C)[C@H]1C[C@@H](O)[C@]2(C)C/C=C(/C)CC/C=C(/C)CC[C@@H]12 169340648 YUHFWLZIGAFAIH-QKCJXKJBSA-N 288.475 5.423 30 1 CKEF CCCCCCCC[C@@H](C)C/C=C\CCCCC(=O)O 169621903 QQHLKKIONMSFBT-QJWNTBNXSA-N 282.468 5.964 30 1 CKEF CC1=CCc2oc(cc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c1ccccc1 238787123 KMNUJIARVHVQCF-YJRCNSCJSA-N 278.395 5.294 30 1 CKEF CC[C@H](C)c1ccc2[nH]c(-c3ccccc3F)c(C#N)c2c1 587641370 IJNVQTKEJPNZDZ-LBPRGKRZSA-N 292.357 5.359 30 1 CKEF CCN/C(=N/c1ccc(-c2ccccc2)cc1)SC(C)C 40878071 JGMBSMGABITDMB-UHFFFAOYSA-N 298.455 5.092 30 1 CKEF CCCCCCCCN=c1ccn(CCCCCC)cc1 42989060 WDZCQLSQKHKEAU-UHFFFAOYSA-N 290.495 5.330 30 1 CKEF C=C(C)[C@@H]1CC[C@]2(C)C(=C(C)C=CC23CCCC3)C1 85550226 XFGUNILNKVCSGM-SJLPKXTDSA-N 256.433 5.816 30 1 CKEF biogenic,in-vitro C=CCn1c(O)c(/N=N\c2ccccc2C)c2ccccc21 102321050 OAIQLKJGMQPVGH-VXPUYCOJSA-N 291.354 5.257 30 1 CKEF CCCCCCCCCCCc1nc(CC(C)C)cs1 474609869 WKYNNGVEHMXIDJ-UHFFFAOYSA-N 295.536 6.415 30 1 CKEF CCCCCC=CCC=CCC#CCCCCC(=O)O 2356502004 UECZBRRJYAZMDX-UHFFFAOYSA-N 276.420 5.108 30 1 CKEF C=CCCCC[C@H](C)CCC/C=C\C#CCCCC(=O)O 14592561 MYZUKLSBSYDRBA-POZKEBTKSA-N 290.447 5.354 30 1 CKEF C=C(C)[C@@H](CC)CCCCCCCCCCCCCC 44386732 FKAXWIGMLUBWHV-FQEVSTJZSA-N 280.540 7.680 30 1 CKEF CCCCCCCCCCCCCC(=O)C[C@H](C)C(=O)O 102184425 FYKXUGIGKHKTDH-INIZCTEOSA-N 298.467 5.367 30 1 CKEF CCCCCCCC[C@H]1NCCc2cc(Cl)ccc21 963391687 WUCPFDBOJYHATL-QGZVFWFLSA-N 279.855 5.277 30 1 CKEF C=CC(=C)CC[C@@H]1[C@H](C)CC[C@@H]2C(C)(C)[C@@H](O)CC[C@@]21C 2356543811 YBXFSYIFNUWIDP-YFYQMDMQSA-N 290.491 5.358 30 1 CKEF C=C(C)[C@@H]1CCC(C)=CCCC(C)=CCC[C@]2(C)O[C@@H]2C1 2356583852 KEOMEGAHKSPEBP-AQNXPRMDSA-N 288.475 5.973 30 1 CKEF C=C1CC[C@@H]2[C@H]([C@@H]3C[C@H](C)C[C@@H]13)[C@]2(C)C1CCCCC1 2356774723 CCAOEVWDWKOAIX-JPXWGHGXSA-N 272.476 5.831 30 1 CKEF CCCCCC/C=C\CCCCCCC(=O)/C=C/C(=O)O 136252574 BFEZTQZQUDAAIS-LKRDCVSDSA-N 294.435 5.064 30 1 CKEF CCCCCCCCCC[C@H]1O[C@@H]1CCCC(C)C 148383962 MYAXSLNSJQGASK-QZTJIDSGSA-N 268.485 6.111 30 1 CKEF CCCCCCC/C=C/CCC/C=C\CCCC(=O)O 218143462 HRZZKTOXWMPYMT-TVYJSOOXSA-N 280.452 5.885 30 1 CKEF CCCCCCC/C=C/[C@H](O)CCCCCCCC(=O)O 70450973 UYTAXAWTQDKVBD-WKOYGUFESA-N 298.467 5.079 30 1 CKEF biogenic,in-vitro C=C(C)[C@@H]1CC[C@@]2(C)CC=C(C)CCC=C(C)CC[C@@H]12 2356420717 KZHMFCYCMBPVGZ-SLFFLAALSA-N 272.476 6.452 30 1 CKEF C=C(C(C)C)[C@H](O)CCC=C(C)CCC=C(C)C 2356678274 ZLWGOLLBNDIBMM-QGZVFWFLSA-N 250.426 5.032 30 1 CKEF CCCCCC#CCCCCCCCCCCC(=O)O 6591926 UTJWKGZXCAQRPW-UHFFFAOYSA-N 280.452 5.556 30 1 CKEF CCCCCCC[C@H](C)CCC[C@@H](C)CCC(=O)O 102180670 DNABEQSTCCBXAX-JKSUJKDBSA-N 270.457 5.654 30 1 CKEF C=C1CCC=C(C)CC[C@](C)(CC=CC(C)(C)O)[C@@H]2C[C@H]12 2356584098 SPKCOCUHKUVJLN-GGPKGHCWSA-N 288.475 5.423 30 1 CKEF CCCCC=CCC=CCCCCCCCCC=O 2356618099 FSWKPPANMNTLMX-UHFFFAOYSA-N 264.453 5.999 30 1 CKEF CCCCCCCCC[C@H](C)OC(=O)CC(C)C 238750210 FTEKFYMYZDEZOJ-HNNXBMFYSA-N 256.430 5.105 30 1 CKEF CCCCCCCC=CC=CC[C@H](C)CCC(=O)OC 2356797872 OOFRANFGMZLHQO-KRWDZBQOSA-N 280.452 5.439 30 1 CKEF CC(C)CCC[C@@H](C)CCC[C@H](C)CCC[C@@H](C)C=O 12495345 IZJRIIWUSIGEAJ-CEXWTWQISA-N 282.512 6.261 30 1 CKEF endogenous,in-man CCCCC/C=C\CC/C=C\CC[C@H](C)CCC=O 38778135 BXUVLPDAJOPHFD-PNBZAHBXSA-N 264.453 5.855 30 1 CKEF CCCCCCCCCC(C)=CCCC(=O)OC 2356640323 XUNSEKMKZUAZSC-UHFFFAOYSA-N 254.414 5.027 30 1 CKEF CC1=CCCC(C)(C)[C@H]1/C=C/C(=O)/C=C/c1ccccc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c1nc2cc(C#N)cc(Cl)c2[nH]1)C1CCCCC1 587967500 KONWGVXQSFBNLQ-YRNVUSSQSA-N 299.805 5.072 30 1 CKEF CCC=CCC=CC[C@@H]1O[C@@H]1CCCCCCC 2356471726 XKXHPEFHBVBMGF-SJORKVTESA-N 250.426 5.417 30 1 CKEF CCCCCCC=CCCCC(=O)CCCCCC(=O)O 2356642813 VWEWTQPRFPEQEU-UHFFFAOYSA-N 296.451 5.288 30 1 CKEF C=C[C@]1(C)CC[C@H](C(=C)CC(=O)C=C(C)C)C[C@@H]1C(=C)C 2356799575 UOXRXNFHRLNICX-DFQSSKMNSA-N 286.459 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30 1 CKEF CC1=CC=C(C(C)C)CC[C@]2(C)O[C@@H]2CCC(C)=CCC1 2356497949 DTXHLWUSJGTDSH-UXHICEINSA-N 288.475 5.973 30 1 CKEF CC(=O)C1=CC[C@@H]2[C@@H]3CC=C4CCCC[C@]4(C)[C@H]3CC[C@@]12C 2356680523 LFAFZZXTPYTILE-WTNASJBWSA-N 298.470 5.465 30 1 CKEF C=C(C)[C@@H]1CC[C@@]2(C)[C@@H]3CC[C@@](C)(O)C=C[C@@]3(C)CC[C@H]12 144314023 RKCZDGJPJJXXLC-RFVXBFLTSA-N 288.475 5.112 30 1 CKEF C=C(C)[C@H]1C/C=C(/C)CC/C=C(\C)CC/C=C(/C)C[C@@H]1O 238785883 HTWXQGABXITTNW-IJUIQVKOSA-N 288.475 5.733 30 1 CKEF C=CC(C)=CC[C@@H]1C(=C)CC[C@@H]2C(C)(C)C[C@H](O)C[C@]12C 2356516053 KIFPWQJEMJLMAS-JRBPQWBISA-N 288.475 5.278 30 1 CKEF C=C[C@]1(C)CC[C@@H]2[C@H](CC[C@H]3C(C)(C)CCC[C@@]23C)O1 2356586020 JOTSQVNPXHLILH-AKKLJKOSSA-N 276.464 5.353 30 1 CKEF CCC(=O)[C@H](C)C(=O)C(C)=C[C@H](C)C[C@H](C)C[C@@H](C)CC 2356801835 QWDKEBCUYIBBBK-HWMZRRJGSA-N 294.479 5.216 30 1 CKEF CCCCCCCCCCOCCc1scnc1C 653768384 WOLSBUFFLWRPGZ-UHFFFAOYSA-N 283.481 5.151 30 1 CKEF C=CCCC[C@@H]1C(=C)CC[C@@H]2[C@](C)(C(=O)O)CCC[C@@]21C 2356449155 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5.067 30 1 CKEF C=CCc1cccc(OCCC(C)C)c1OCCC(C)C 103284721 FQKLFWNJUYLZGT-UHFFFAOYSA-N 290.447 5.265 30 1 CKEF Cc1csc(C(=O)/C=C/c2cc(Cl)cc(Cl)c2)c1 1857619478 MIVYFLDUXMBHAD-NSCUHMNNSA-N 297.206 5.259 30 1 CKEF C=C1CC[C@@H]2[C@H]3[C@@H]1[C@H](C=C(C)C)C[C@@H](C)[C@H]3CC[C@]2(C)C#N 2356332466 FVLMFTXDYSOHDO-YCEXZFRFSA-N 297.486 5.747 30 1 CKEF CC1=CCC[C@]2(C)O[C@@H]2C[C@]2(C)CCC(=C(C)C)[C@@H]2CC1 2356442400 ASMOKPSATRQJPP-YRPNKDGESA-N 288.475 5.807 30 1 CKEF C=C/C(C)=C\C[C@@H]1C(=C)CC[C@@H]2C(C)(C)C[C@@H](O)C[C@@]12C 139992957 KIFPWQJEMJLMAS-PRQMMVMVSA-N 288.475 5.278 30 1 CKEF C=C(CC/C(C)=C/CC[C@H](C)c1ccc(C)cc1)C(C)C 212226328 UBBKTKSNNRMAPA-GPGPQOAVSA-N 284.487 6.817 30 1 CKEF CC[C@H](C)c1ccc2[nH]c(C)c([C@H]3[C@H](CC#N)C3(C)C)c2c1 587642447 LYMVWMJMHCIFTQ-XGINMYPSSA-N 294.442 5.643 30 1 CKEF CCC=CCC=CCC=CCCCCCCCCCC 2356452396 NVTCVZWCSVASGC-UHFFFAOYSA-N 276.508 7.376 30 1 CKEF C=C[C@]1(C)CC[C@H]2C(=CC[C@H]3[C@@](C)(CO)CCC[C@@]23C)C1 28541764 DUEINKIQNGZKPL-OMZCGLGVSA-N 288.475 5.114 30 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C=N[C@]12CC=C(C)[C@@H]3[C@H](C=C(C)C)C[C@H](C)[C@H](CC[C@@H]1C)[C@H]32 2356432464 BBWZURJIVMADBA-YSOLWZKISA-N 299.502 5.677 30 1 CKEF C=N[C@]12CC[C@@H]3CC(C)(C)CC4=C3[C@@H]1[C@H](CC[C@@H]2C)[C@H](C)C4 2356487793 MJGARCQWDDVLGI-IAALOFGISA-N 299.502 5.655 30 1 CKEF C=N[C@]12CC[C@@H]3CC(C)(C)CC4=C3[C@@H]1[C@H](CC[C@@H]2C)[C@@H](C)C4 2356487795 MJGARCQWDDVLGI-UTQMUENXSA-N 299.502 5.655 30 1 CKEF CCCCCCCCCCCCC[C@H]1CC[C@@H](CC)N1 73337124 DRZNECYKTJYDIR-MOPGFXCFSA-N 281.528 6.218 30 1 CKEF CC(C)=CCCC(C)=CCC(=O)C=C(C)CCC=C(C)C 2356777950 IGONHEVHCCPWNE-UHFFFAOYSA-N 288.475 6.331 30 1 CKEF C=C(C)[C@@H]1CC[C@]2(C)[C@@H]1CC[C@]1(C)CC(=O)[C@H](C)CC[C@H]12 166158459 CJBHBAQOWRRCES-FDGFBPQASA-N 288.475 5.400 30 1 CKEF C=CCCC[C@@H]1C(=C)CC[C@H]2[C@@](C)(C(=O)O)CCC[C@]12C 238740780 CQUKNNORHGLHKG-RWQQGDIJSA-N 290.447 5.206 30 1 CKEF CC1=CC[C@@]2(C)CC(=O)C(=C(C)C)[C@@H]2CCC(C)=CCC1 299816413 YETBHHZORHIONL-PXNSSMCTSA-N 286.459 5.775 30 1 CKEF C=C(CCC=C(C)C)[C@@H]1CC=C(C)CCC=C(C)CC1 2356682294 QJPIQRLACCGVNH-FQEVSTJZSA-N 272.476 6.762 30 1 CKEF CCCCCCCCCCCCCC(=O)CC(C)=O 85480938 VZRNDOSIHXJXCH-UHFFFAOYSA-N 268.441 5.236 30 1 CKEF endogenous,in-man CCCCCC/C=C/C/C=C/CCCCC(=O)O 102181794 JZJWNDAFHKZSNQ-ZDVGBALWSA-N 252.398 5.104 30 1 CKEF CCCCCCCCCCc1ccccc1C(=O)O 43664407 RGRRXKZHELYJHJ-UHFFFAOYSA-N 262.393 5.068 30 1 CKEF CCCCCCC/C=C/CCc1cc(=O)c2ccccc2[nH]1 85602876 AWCWOJPATVETFJ-CMDGGOBGSA-N 297.442 5.377 30 1 CKEF CC[C@H](C)c1ccc2[nH]c(-c3ccccc3C)c(C#N)c2c1 587643975 ZRRILSVJRPNHSN-ZDUSSCGKSA-N 288.394 5.529 30 1 CKEF C=C1CCC[C@@H]2[C@]1(C)CC[C@@H](C)[C@]2(C)CCC(C)=CCO 2356449033 YMTCQCWFYXOJRY-FUMNGEBKSA-N 290.491 5.504 30 1 CKEF C=C[C@@](C)(CC=C(C)CCC=C(C)C)CCC=C(C)C 2356490532 MFGOTAHWOBKNNU-HXUWFJFHSA-N 274.492 7.008 30 1 CKEF CCCCCCCCCC(=O)C=CCCCCCC(=O)O 2356652287 VUESNBMVNBNUIE-UHFFFAOYSA-N 296.451 5.288 30 1 CKEF C=C(c1ccc2cc(OC)ccc2c1)[C@H](C#N)C1CCCC1 206036317 IBGKBZLMYJUAKU-FQEVSTJZSA-N 291.394 5.192 30 3 CKEF C=CCCCCCCCCCc1ccc2c(c1)OCO2 164800773 TUOVWZLZRGOMKY-UHFFFAOYSA-N 274.404 5.265 30 1 CKEF CCCCCCCC/C=C(/C)CCCCCCCC 201379544 RCKXFWRCJBTHNQ-HNENSFHCSA-N 266.513 7.434 30 1 CKEF CCCC/C=C\CC/C=C\CCCCCCCCCCC 238745470 LBLSBMUWVIFTHP-CCVDTEMHSA-N 292.551 7.990 30 1 CKEF C=C1CCC[C@@H](C)CC[C@@H]2[C@H]1C[C@]2(C)C[C@@H](O)C=C(C)C 238782515 SWVGUQAPYSRDOO-ZKIDJSGLSA-N 290.491 5.502 30 1 CKEF CC[C@@H](C)c1ccc2[nH]c(-c3ccc(F)cc3)c(C#N)c2c1 587640914 GMLYHHXEMRXYOC-GFCCVEGCSA-N 292.357 5.359 30 1 CKEF CC[C@@H](C)c1ccc2[nH]c(CC(C)(C)C)c(C#N)c2c1 587643431 UGMQYUUZFKINRG-GFCCVEGCSA-N 268.404 5.142 30 1 CKEF C=C1Oc2cc(C(C)(C)CCC)ccc2[C@H]2CC(C)=CC[C@@H]12 2356688403 ZCUGLRPIWDWLGH-HKUYNNGSSA-N 296.454 6.110 30 1 CKEF CCCCCC/C=C/C/C=C/CCCCCCC(=O)OC 70454263 IQTMIKSIMGHIIR-MVKOLZDDSA-N 294.479 5.973 30 1 CKEF biogenic,in-vitro Cc1cc2c(cc1C(C)C)C(=O)C=C1C(C)(C)CCC[C@@]12C 238756260 KHVNYLNZVRZLMJ-OAQYLSRUSA-N 296.454 5.709 30 1 CKEF CCCCCCCCC=CCCCCCCOC(C)=O 2356648188 QVXFGVVYTKZLJN-UHFFFAOYSA-N 282.468 5.807 30 1 CKEF C=C1CCC[C@]2(C)CC[C@@H]3[C@H]([C@H](C(C)C)CC[C@@]3(C)O)[C@@H]12 14722302 JYVDHWUZYHVAOP-XYWBXWKWSA-N 290.491 5.192 30 1 CKEF C=CCC(C)(C)c1nc2ccc(Oc3ccccc3)cc2[nH]1 587954250 LBYRFERTMCSESI-UHFFFAOYSA-N 292.382 5.209 30 1 CKEF C=C(C)[C@@H]1C=C(C(C)C)CCC(C)=CCC[C@@H](C)CC1=O 2356432382 ZJQBKSBFISFIPH-MJGOQNOKSA-N 288.475 5.877 30 1 CKEF C=C1CCC[C@@H]2[C@]1(C)CC[C@H](C)[C@@]2(C)C=C[C@@H](C)C(=O)O 2356580913 DXFPQBDIPIWBAL-HLCJQYQXSA-N 290.447 5.062 30 1 CKEF CCC=CCC=CC[C@H]1O[C@@H]1CCCCCCCCCC 2356693113 XXOTXZKHNZSWSZ-WOJBJXKFSA-N 292.507 6.587 30 1 CKEF CC(C)C1=CC2=C(CC1)[C@]1(C)CCC[C@](C)(C=O)[C@@H]1CC2 13301809 MDWQSNIQXHNTCK-ZCNNSNEGSA-N 286.459 5.465 30 1 CKEF endogenous,in-man C=C(C)[C@@H]1CC[C@]2(C)[C@@H]1CC[C@]1(C)CC=C(C(C)=O)C[C@H]12 34353587 IVVXVEMTIACKAX-MFKWGIFDSA-N 286.459 5.321 30 1 CKEF CC[C@H](C)c1ccc2[nH]c(C)c([C@@H]3[C@@H](CC#N)C3(C)C)c2c1 587642445 LYMVWMJMHCIFTQ-MOFZMDFASA-N 294.442 5.643 30 1 CKEF CCCCCCCC(=O)Nc1ccc(-c2ccccc2)cc1 44146155 QGLIOZWEZFJIQS-UHFFFAOYSA-N 295.426 5.653 30 1 CKEF C=C1CC/C=C(\C)CC[C@@H](C(=C)CCC=C(C)C)C[C@@H]1O 49808242 ZQWAPPQJKIEPOV-GRSWLUKJSA-N 288.475 5.733 30 1 CKEF CCCCC/C=C\C/C=C\C/C=C\CCCCCC 169622598 JJWUFROECSXGGK-PNBIJBBKSA-N 262.481 6.986 30 1 CKEF C=C[C@]1(C)CC[C@@]2(C)[C@@H]3CCCC(C)(C)C3=C[C@H]1[C@H]2C 2356715588 LVOPFKOBFNNZTP-AOHSKODXSA-N 272.476 5.997 30 1 CKEF C=C[C@@](C)(CCCCc1ccccc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c1ccc(F)cc1)c1ccc(Cl)cc1Cl 29239948 XIPHLJFTBFXVBS-UHFFFAOYSA-N 295.140 5.029 30 1 CKEF CCCCCCCCC/C=C\C[C@@H]1O[C@@H]1CCCCC 148377198 OFKABGGYCLPLTM-MSODLAMBSA-N 280.496 6.421 30 1 CKEF C=CCCCCCCC/C=C\C/C=C/Cc1cccc(O)c1 238788224 IXROXLNENZQWPQ-SEGPTZFDSA-N 298.470 6.354 30 1 CKEF C=CC(C)=CCCCCCCCCCCCCCCC 2356496982 VHGBWHGICRTHIQ-UHFFFAOYSA-N 278.524 7.600 30 1 CKEF CC1(C)CC(=O)C=C(c2ccc(Oc3ccccc3)cc2)C1 36389281 GFZRRKLVKWGKHQ-UHFFFAOYSA-N 292.378 5.251 30 3 CKEF C=C(C)[C@H]1C/C=C(\C)CC/C=C(\C)CC/C=C(/C)C[C@@H]1O 238779491 HTWXQGABXITTNW-STKCATANSA-N 288.475 5.733 30 1 CKEF C/N=C\[C@H](C)CCCCCCCCCCc1cccnc1 238785085 KJJVPOMEBITQDT-HWLQVLAGSA-N 288.479 5.472 30 1 CKEF C#C[C@H](O)CCCCCCC=CC=CC#CCCCCC=C 2356797417 NXBRVCXELKTHEY-NRFANRHFSA-N 298.470 5.183 30 1 CKEF CCCCCCCCCCCCCCC[C@H]1CCCO1 103292410 OVFWCWILPCXXDR-IBGZPJMESA-N 282.512 6.647 30 1 CKEF C=C1CCCCCCCCC/C=C/1SCCCSC 1642105 IJRWYEZCWZCGKD-LGMDPLHJSA-N 298.561 6.437 30 1 CKEF CCCCCCCCCCCCCCC1=NCCCC1 73220643 MPXOQAUKMDCUJV-UHFFFAOYSA-N 279.512 6.703 30 1 CKEF C=C(CO)[C@H]1C/C=C(\C)CC/C=C(/C)CC/C=C(\C)CC1 140347208 MQZXPSOBCLRACA-PCYNANMFSA-N 288.475 5.734 30 1 CKEF C=C1CC[C@H]2CC(=C[C@@H]3[C@@H]1CC[C@@]3(C)O)C(C)(C)C[C@@H]2C 2356706795 UAECSQUUJKQHGE-OPMKJXALSA-N 288.475 5.112 30 1 CKEF CCCCCCCCCC[n+]1c(C)cc(N)c2ccccc21 2583341 GMYGVHWXEMTGNV-UHFFFAOYSA-O 299.482 5.159 30 1 CKEF CCc1ccc(/C=N/c2cc(C(C)(C)C)c(O)cc2C)cc1 95595383 LCSRICALNJUHCB-FYJGNVAPSA-N 295.426 5.311 30 1 CKEF C=CC=CC[C@@H]1CCC[C@H]2NC(CCCC=C)=CC[C@H]12 2356404909 AMWVEAYBZDOUNE-BHIYHBOVSA-N 271.448 5.137 30 1 CKEF C=C[C@]1(C)CC[C@]2(C)C3=CCC[C@](C)(CO)[C@H]3CC[C@@H]2C1 2356560409 YQXKHENEQRLREB-LHDHZVESSA-N 288.475 5.114 30 1 CKEF C=CC(=C)CC[C@@H]1[C@H](C)CC[C@H]2C(C)(C)C(=O)CC[C@@]12C 2356643351 QCUHDTWVHOLCIS-WWNBULGVSA-N 288.475 5.567 30 1 CKEF C=C(C)[C@@H]1CC[C@H](C)[C@@H]2CCC(=C)[C@@H]3CC[C@@]3(C)C[C@H]21 2356766999 KNENAWZGSAWZPV-ZXIXUEFNSA-N 272.476 5.997 30 1 CKEF C=C[C@@](C)(C=Cc1ccc(OCC)cc1)CCC=C(C)C 2356337402 YMUXTTVGTPYRPO-HXUWFJFHSA-N 284.443 6.037 30 1 CKEF C=C[C@@]1(C)CC[C@H]2C(=CC[C@H]3C(C)(C)[C@@H](O)CC[C@]23C)C1 28648738 BLRQCWSOICYRPH-VDWQKOAOSA-N 288.475 5.112 30 1 CKEF biogenic,in-vitro CCCC/C=C\CCCCCCCC/C=C/CC=O 59725597 FQIGBMCAZZSOQM-IYUNJCAYSA-N 264.453 5.999 30 1 CKEF CCCCCCCCCCCCCCC1(C(C)=O)CC1 95565904 KRGLKGMKCQCBLJ-UHFFFAOYSA-N 280.496 6.447 30 1 CKEF CC1(C)CC(O)=C/C(=N/c2ccc(Cl)cc2Cl)C1 103898524 FTONMAMXSSKAGO-YVLHZVERSA-N 284.186 5.328 30 1 CKEF C=C1CCC=C(C)CC[C@@H](C(=C)CCC=C(C)C)C[C@@H]1O 253867390 ZQWAPPQJKIEPOV-UXHICEINSA-N 288.475 5.733 30 1 CKEF CCCCCCC/C=C\Cc1cc2c3c(cccc3n1)CC2 587213594 KSDQYPHHFLVQRS-HJWRWDBZSA-N 293.454 5.793 30 1 CKEF C=C(C)[C@@H]1CC[C@]2(C)C[C@@H]3[C@H](CCC(C)=O)[C@@]3(C)CC[C@H]12 2356419152 IYGSYYKRAFVBEL-XYWBXWKWSA-N 288.475 5.400 30 1 CKEF C=C[C@]1(C)CC[C@H](C(=C)CC=CC(C)(C)O)C[C@@H]1C(=C)C 2356430984 YDHNYTDWJDUSST-NLWGTHIKSA-N 288.475 5.445 30 1 CKEF C=C1CC[C@@H]2[C@H]1[C@H]1[C@@H]([C@H](C)CC(=O)CC(C)C)CC[C@@]21C 96086212 MJVREFNGXLSWKW-IOFZNDEASA-N 288.475 5.256 30 1 CKEF in-vitro CCCCCCCCCCCCCC[N+]1(C)CCCC1 38158031 XUYMGEBETOURDE-UHFFFAOYSA-N 282.536 5.928 30 1 CKEF C=C1C[C@]23CC[C@H]4C(C)(C)CCC[C@]4(C)[C@@H]2CC[C@@H]1C3 100778744 ONVABDHFQKWOSV-ORZNMBHWSA-N 272.476 5.975 30 1 CKEF endogenous,in-man C=C[C@]1(C)C=C2CC[C@H]3[C@@](C)(CCC[C@@]3(C)C=O)[C@@H]2CC1 238731265 JKBKXKTXDKYEOR-SLHNCBLASA-N 286.459 5.321 30 1 CKEF Cc1cccc(-c2[nH]c3c(C)cc(Cl)cc3c2C#N)c1C 587624853 VKISENQODNUAIH-UHFFFAOYSA-N 294.785 5.285 30 1 CKEF CCCCCCCCC=CCC=CCC=CCCO 2356429441 UVNRLSCOYBEJTM-UHFFFAOYSA-N 264.453 5.568 30 1 CKEF C=CCCCCCCC[C@@H]1O[C@@H]1C[C@H]1O[C@@H]1CC=CCC 2356552546 SZXGTAQNVDWRBM-FCGDIQPGSA-N 292.463 5.184 30 1 CKEF CCC(C)(C)C#CCCN(C)Cc1cccc2ccccc12 27655724 GDGJVBMMGNMSNV-UHFFFAOYSA-N 293.454 5.101 30 1 CKEF CCCCCC/C=C/C=C\C/C=C\C/C=C\CCCNO 36241754 OMAGLCNMMVOWAR-ZOYZBVPGSA-N 291.479 5.721 30 1 CKEF CCCCCCCCCCCC[C@H](O)CCCCC(C)=O 85883545 QFPLUTXQKYJJTH-IBGZPJMESA-N 298.511 5.808 30 1 CKEF CCCCCCCCC[C@@H](C)OC(=O)[C@H](C)CC 2356487518 DJBPWDZTKRFDAO-HUUCEWRRSA-N 256.430 5.105 30 1 CKEF C=C1CC2(CCCC2)[C@@H]2O[C@]2(C)CC[C@@H]2[C@H]1CC2(C)C 2356560435 SKACGHBFHPLYKX-BVIKNXMNSA-N 274.448 5.107 30 1 CKEF C=C[C@@]1(C)CC[C@H]2C[C@H]1C(=C)C[C@@]2(C)C=CC=C(C)C 2356801787 QUPDQBDLUSSORP-LWYYNNOASA-N 270.460 6.084 30 1 CKEF CCCCCCCCCCC1=CC(=O)c2ccccc2C1=O 84634622 JMWTVBSPYSWKQI-UHFFFAOYSA-N 298.426 5.523 30 1 CKEF C=C1CC[C@H]2C(C)(C)CCC[C@]2(C)[C@H]1C/C=C(/C)CC=O 238777491 KPYYUYXSRFDZHH-YVWFSGKMSA-N 288.475 5.711 30 1 CKEF CCCCCCC=CC=CCCc1ccc(O)cc1 2356664047 FGPOGAUCGOZVPS-UHFFFAOYSA-N 258.405 5.408 30 1 CKEF C=C1C=C2C3(CCCC3)CC[C@H](C)[C@@]2(C)[C@H]2[C@@H]1C2(C)C 85545306 PUBDYWLCNINXPO-LKCYJCQHSA-N 270.460 5.751 30 1 CKEF biogenic,in-vitro C=C1CC[C@@H]2[C@@H](CCCC2(C)C)[C@@H]1CCC(C)=CCO 2356588499 XDRPGZFCMHGZHI-FGTMMUONSA-N 276.464 5.114 30 1 CKEF CN=C[C@@H](C)CCCCCCCCCCc1cccnc1 2356723475 KJJVPOMEBITQDT-SFHVURJKSA-N 288.479 5.472 30 1 CKEF C=C[C@]1(C)CC=C2[C@@H](CC[C@@H]3[C@](C)(CO)CCC[C@@]23C)C1 32090371 YSFNIVKHYKBKHI-VRCPBSEVSA-N 288.475 5.114 30 1 CKEF biogenic,in-vitro CCCCCCCC[C@@H]1C=Cc2cc([N+](=O)[O-])ccc2O1 68247252 MDZZLCUFIGJZLT-MRXNPFEDSA-N 289.375 5.120 30 1 CKEF CCCCCCC[C@H](O)/C=C\CCCCCCCC(=O)O 70457507 MHBZYZVYSHCDLI-KSVUCXBSSA-N 298.467 5.079 30 1 CKEF biogenic,in-vitro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c1cnc2cccc3c2c1CC3 587213634 LMJDGWAXKREZGC-UHFFFAOYSA-N 281.443 5.627 30 1 CKEF Cc1csc(C(=O)/C=C/c2ccc(Cl)c(Cl)c2)c1 1857566072 XXLPCNFCKRDAQW-HWKANZROSA-N 297.206 5.259 30 1 CKEF CC(=O)C(=C(c1ccccc1)c1ccccc1)c1ccccc1 1637349 YOBDJRWFESLANB-UHFFFAOYSA-N 298.385 5.235 30 1 CKEF C=C[C@@]1(C)CC[C@H]2[C@](C)(CC[C@@H]3C(C)(C)CCC[C@]32C)O1 43883879 IGGWKHQYMAJOHK-AFKBCAQJSA-N 290.491 5.743 30 1 CKEF C=N[C@@]1(C)CC[C@@H]2[C@@H](C)C[C@@]3(/C=C/C(=C)C)[C@H](C)CC[C@H]1[C@@H]23 238785595 FERSXRCCIOZICY-YCWOHVLPSA-N 299.502 5.677 30 1 CKEF C=C(C)[C@H]1CC[C@H]2[C@@H]3CCc4cc(O)ccc4[C@H]3CC[C@@]21C 66065848 ZSTOQGOTLCSUJH-SSSFQFABSA-N 296.454 5.441 30 1 CKEF C=C(C)[C@@H]1C/C=C(/C)CC/C=C(/C)CC/C=C(/C)CC1=O 154844116 FHFFESCITRPPTG-SYUODKLASA-N 286.459 5.941 30 1 CKEF C=C[C@@H]1CC[C@@H]2[C@](C)(CC[C@H]3C(C)(C)CCC[C@@]32C)OC1 2356424668 RVZMQOMNZXTONL-ORZNMBHWSA-N 290.491 5.600 30 1 CKEF C=CCCCCCCC#CCCCCCCCC(=O)OC 14616354 DKMKCWQGVHIHHD-UHFFFAOYSA-N 292.463 5.420 30 1 CKEF CCCCC/C=C\C/C=C\CC#CCCCCC(=O)OC 238734116 JHZCBOBQULICBU-NQLNTKRDSA-N 290.447 5.196 30 1 CKEF CCCCCCCC=CCC=CCC=CCCC#N 2356312841 IZQMXCVZGSWCLH-UHFFFAOYSA-N 259.437 6.099 30 1 CKEF C=C1CCC=C(C)CC[C@@H]2[C@@H]1C[C@@]2(C)CC[C@H]1OC1(C)C 2356549513 DZMXLXZJXQGYQL-SOAMZJECSA-N 288.475 5.663 30 1 CKEF C=C1CC[C@@H]2C(C)(C)CCC[C@@]2(C)[C@@H]1C=CC(C)=CC 2356582672 SYAHDJQSGXVSDM-GGPKGHCWSA-N 272.476 6.308 30 1 CKEF CCC(=O)C=CC=CC(C)=CC=CC=Cc1ccccc1 2356648630 KMNUJIARVHVQCF-UHFFFAOYSA-N 278.395 5.294 30 1 CKEF Cc1ccc2nc(/C=N/c3ccccc3Cl)cc(C)c2c1 17251919 DSOWDBQHGYLTHY-RGVLZGJSSA-N 294.785 5.256 30 1 CKEF CCCCCC/C=C\CCCC/C=C\CCCC(=O)O 86050880 GMEOMWBQHUIYIE-WRKWTSPFSA-N 280.452 5.885 30 1 CKEF CCCCCCC[C@@H](C)CC(C)=CCCCCC(=O)O 2356307506 ZENHYONSASWLMO-MRXNPFEDSA-N 282.468 5.964 30 1 CKEF C=CCCCCCCC[C@@H]1O[C@@H]1C[C@H]1O[C@H]1CC=CCC 2356552547 SZXGTAQNVDWRBM-INDMIFKZSA-N 292.463 5.184 30 1 CKEF C=C1Oc2cc(C(C)(C)CCC)ccc2[C@H]2CC(C)=CC[C@H]12 2356688405 ZCUGLRPIWDWLGH-MJGOQNOKSA-N 296.454 6.110 30 1 CKEF C=C[C@]1(C)CC[C@@H](C(=C)C)[C@@H](c2ccc(O)cc2)C1 13414473 DUTYKARAVUNUBK-RCCFBDPRSA-N 256.389 5.044 30 1 CKEF CC(C)=CCC/C(C)=C\c1nc2cc(C#N)cc(Cl)c2[nH]1 587968812 UMPUBAIAPBMEID-GHXNOFRVSA-N 299.805 5.238 30 1 CKEF C=C1C[C@]23CC[C@H]4C(C)(C)CCC[C@@]4(C)[C@@H]2CC[C@@H]1C3 100778743 ONVABDHFQKWOSV-QQBOBMDFSA-N 272.476 5.975 30 1 CKEF endogenous,in-man CCCCCCC[C@@H]1CCc2c(ccc3ccccc23)C1 2356616179 RVUKGAJPLAVCAV-QGZVFWFLSA-N 280.455 6.305 30 1 CKEF CCCCCCCC[C@H](C)CCC[C@@H](C)CCC(=O)O 102180698 ISAMPHAHOXYTOP-DLBZAZTESA-N 284.484 6.044 30 1 CKEF CC(C)CCC[C@H](C)CCC[C@@H](C)CCC[C@H](C)C=O 104885246 IZJRIIWUSIGEAJ-OTWHNJEPSA-N 282.512 6.261 30 1 CKEF endogenous,in-man C/C=C(/C)CC/C=C(\C)CC/C=C(\C)CC(=O)C=C(C)C 238757173 YNGLRWWWVMSQRO-CSHKJNKLSA-N 288.475 6.331 30 1 CKEF CCCCCCCC/C=C\CCCC[C@H]1CCC(=O)O1 44306563 MFJQEKNPFKHQHP-IBSYWUHOSA-N 280.452 5.559 30 1 CKEF CCCCCC#CC=CC=CCCC=CC(=O)n1cccc1 2356478484 GQXSUEBJBXDGSF-UHFFFAOYSA-N 295.426 5.161 30 1 CKEF CCCCCCC[C@H]1C=CCCCCCCCC(=O)O1 2356577528 GNBBSCLQJJURKI-KRWDZBQOSA-N 280.452 5.559 30 1 CKEF CCCCCCCCCCC/C=C/CCC(=O)OCC 85836519 FPRZZMMPTRELJP-CCEZHUSRSA-N 282.468 5.807 30 1 CKEF CCCCCCCCCCCCCCCC[C@H]1CCCO1 103292414 DHJJOPRVQLGFNN-FQEVSTJZSA-N 296.539 7.037 30 1 CKEF C=C1CCC[C@]2(C)CC[C@H](/C(C)=C/C=C\C(C)(C)O)C[C@@H]12 141176598 VGVBCHZWSHUBLW-NGFYCIAMSA-N 288.475 5.423 30 1 CKEF CCCCCCC/C=C/CC/C=C/CCCCC(=O)O 102181910 VHWOFKOZZDNTLJ-AFAJWACHSA-N 280.452 5.885 30 1 CKEF C=C[C@@H](C)CCCCCCC1=CC=C(C)[C@@H]2CCCN12 2356862361 UZTOICXMMLZQAW-APWZRJJASA-N 273.464 5.457 30 1 CKEF C=C[C@@](C)(/C=C/c1ccc2oc(=O)[nH]c2c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c1ccccc1Oc1ccc(Nc2ccccc2)cc1 1857641690 GYMYHXACTMSBGC-UHFFFAOYSA-N 286.334 5.094 30 1 CKEF C=C1CCC[C@]2(C)c3ccc(C(C)C)cc3C(=O)C[C@@H]12 14614488 SZHJFAKBIDRXRJ-PKOBYXMFSA-N 268.400 5.010 30 1 CKEF C=C1CC[C@H]2C(C)(C)[C@@H](O)CC[C@]2(C)[C@@H]1CCC=C(C)C 238774745 SWJDLCQNNNRLCD-DOADOZAASA-N 290.491 5.502 30 1 CKEF C=C/C(C)=C\C[C@H]1C(=C)CC[C@H]2[C@@](C)(CO)CCC[C@]12C 34051482 KDNYVXLYMQKQHH-TXKGFPPKSA-N 288.475 5.280 30 1 CKEF CC1(C)CCC[C@]2(C)[C@@H]1CC[C@]13C[C@@H](C=O)[C@H](CC[C@H]12)C3 238757892 YNZWSYDADVNWOJ-JLEOBMEESA-N 288.475 5.234 30 1 CKEF C=C(C)C=C[C@]12C[C@H](C)[C@@H]3CC[C@](C)(C#N)[C@H](CC[C@@H]1C)[C@@H]32 2356337233 SSFDJDHBZVHNKM-SFXRCABVSA-N 297.486 5.747 30 1 CKEF CCCCCCCC=C[C@@H](O)CCCCCCCC(=O)O 2356596893 UYTAXAWTQDKVBD-QGZVFWFLSA-N 298.467 5.079 30 1 CKEF CCCCCCCCC(=O)C=CCCCCCCC(=O)O 2356615054 SKIQULSONATZGK-UHFFFAOYSA-N 296.451 5.288 30 1 CKEF C[C@@H]1C=CC(=O)[C@]2(C)CC[C@@H]3[C@@H]4C(C)(C)CC[C@@]4(C)C[C@@]132 2356378759 VXFNKFSIMARUMG-JXOJBAAWSA-N 286.459 5.010 30 1 CKEF C=C1CC[C@@H]2[C@H](C)CCC[C@@]2(C)[C@@H]1CCC(C)=CC(=O)O 2356466699 PVBBVDNCRVWJJA-MYZZLAAOSA-N 290.447 5.206 30 1 CKEF C=C(C)[C@H]1CC=C(C)CCC=C(C)CC=C[C@](C)(O)CC1 2356545224 OKMUNWQJDKXXGX-PMACEKPBSA-N 288.475 5.733 30 1 CKEF CC(/C=C/c1ccccc1)=N\N=C(C)\C=C\c1ccccc1 5849360 XMYDWVYVIJCLIW-PPJSMFRSSA-N 288.394 5.250 30 1 CKEF CCCCCCCCCCC(=O)CC[C@H](O)CCC 85857815 SNACPSAXCXAAHF-MRXNPFEDSA-N 270.457 5.028 30 1 CKEF CCCCCCC=CCCCCCCCCCCC 2356454000 UVMYOBBALQKLKK-UHFFFAOYSA-N 266.513 7.434 30 1 CKEF C=C(C)[C@@H]1C[C@H](O)[C@]2(C)CC=C(C)CCC=C(C)CC[C@@H]12 2356553415 YUHFWLZIGAFAIH-LWYYNNOASA-N 288.475 5.423 30 1 CKEF C=CC(=C)CC[C@@H]1[C@H](C)CC[C@@H]2C(C)(C)C(=O)CC[C@]21C 2356643349 QCUHDTWVHOLCIS-VIPLHTEESA-N 288.475 5.567 30 1 CKEF C=C(C)c1cc2c(c(C(=O)CC(C)C)c1)OC(C)(C)C=C2 70454727 AQEMCWFSACYYGU-UHFFFAOYSA-N 284.399 5.133 30 1 CKEF biogenic,in-vitro C=CCCCC=CCC=CCCCCCCCC(=O)O 2356374899 JJTZDTIVFFYIOY-UHFFFAOYSA-N 278.436 5.661 30 1 CKEF C=C1CCC[C@@H]2[C@]1(C)CC[C@H](C)[C@]2(C)C=C[C@@H](C)C(=O)O 2356580914 DXFPQBDIPIWBAL-HZJBPECKSA-N 290.447 5.062 30 1 CKEF C=C1C[C@]23CC[C@@H]4C(C)(C)CCC[C@@]4(C)[C@H]2CC[C@H]1C3 40163578 ONVABDHFQKWOSV-PNDFQMOFSA-N 272.476 5.975 30 1 CKEF in-man C=C/C(C)=C\C[C@H]1C(=C)CC[C@H]2[C@](C)(CO)CCC[C@]12C 85994042 KDNYVXLYMQKQHH-YLFQIVRVSA-N 288.475 5.280 30 1 CKEF CC/C=C\C=C/C=C\C=C/CCCCCCCC=O 195771896 RETRRXAPSLSKSS-WKSFOPBCSA-N 260.421 5.551 30 1 CKEF C=C[C@]1(C)CC[C@H](C(C)=CC=CC(C)=O)C[C@H]1C(=C)C 2356481014 ZPIGAWRLOACSCC-GBESFXJTSA-N 272.432 5.263 30 1 CKEF CC(C)=CCC[C@H](C)[C@@H]1CC[C@H](C)[C@]23C(=O)C=C(C)[C@@H]2[C@@H]13 2356795986 MRNGUJFIOCNXRR-LEUKZYDJSA-N 286.459 5.176 30 1 CKEF CCCCCCCCCC[C@H](C)C[C@@H](C)C(=O)O 85646697 ZFUWGIZDTXJFSP-LSDHHAIUSA-N 256.430 5.264 30 1 CKEF CCCCCCCCCC[C@@]1(C)OC(O)=C(CC)C1=O 101412415 BQSBIKOQQJHJHR-QGZVFWFLSA-N 282.424 5.055 30 1 CKEF CCCCCCCCO[C@H]1CC[C@@H](CCCCC)O1 221019428 DLYFTVRDWAAWLQ-IAGOWNOFSA-N 270.457 5.449 30 1 CKEF C=C[C@]1(C)CC[C@@H]2C(=CC[C@H]3C(C)(C)C(=O)CC[C@@]23C)C1 2356432336 YAXFLCDQLAZOPS-GJJHYRHESA-N 286.459 5.321 30 1 CKEF CCCCCCC=CC[C@@H](CC)CCCCCC(=O)O 2356440021 KEGWDBDWBFDZCS-QGZVFWFLSA-N 282.468 5.964 30 1 CKEF CC1=CCC2=CC[C@H](C(C)C)[C@@]2(C)CC(=O)C(C)=CCC1 2356459880 CBNJKHFHKYZNCB-QUCCMNQESA-N 286.459 5.631 30 1 CKEF C=C1CCC2=C3[C@@H](CC[C@@H]2C)[C@@H](C)C(=C)[C@H](C=C(C)C)[C@@H]13 2356791602 ITDOFYBZPNJDEE-XZWBYJIQSA-N 282.471 6.084 30 1 CKEF C=CCCCCCCC[C@@H]1CC[C@H](CCCCC=C)N1 5157697 YCQNSAJAZIVRFR-RBUKOAKNSA-N 277.496 5.770 30 1 CKEF 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C=C(C)[C@@]1(O)CC[C@@]2(C)C/C=C(\C)CC/C=C(/C)CC[C@@H]21 169370450 NUHPZDOCKJPIPC-WJKROTEPSA-N 288.475 5.567 30 1 CKEF C=C[C@]1(C)CC[C@H]([C@](C)(O)C=CC=C(C)C)C[C@@H]1C(=C)C 2356535577 DACQVPGYLJFRGU-MTQWCTHYSA-N 288.475 5.445 30 1 CKEF C=C1C[C@]23CC[C@H]4C(C)(C)CCC[C@@]4(C)[C@H]2CC[C@H]1C3 40163580 ONVABDHFQKWOSV-OIGVQNGMSA-N 272.476 5.975 30 1 CKEF in-man C=C(C)[C@@H]1C/C=C(\C)CC/C=C(\C)CC[C@@H](C(=C)C)C1 169403378 CIJBIDDWTJGAAD-UJQWCOJVSA-N 272.476 6.618 30 1 CKEF C=C[C@]1(C)C=C2CC[C@H]3C(C)(C)[C@H](O)CC[C@@]3(C)[C@@H]2CC1 238756519 ATQOOBSXQVRQPY-YSDSKTICSA-N 288.475 5.112 30 1 CKEF C=C[C@@H]1CC[C@@H]2[C@@H]3CCC4=CC(=O)C=C[C@]4(C)[C@H]3CC[C@]12C 2356558740 KFTYFBOHSUEIEJ-WCPWDIOKSA-N 296.454 5.097 30 1 CKEF CCCCCCCCCCCC1(/C=C/C(=O)O)CCCC1 85510678 IIYOJYAKTOOLRP-GHRIWEEISA-N 294.479 6.109 30 1 CKEF biogenic,in-vitro CCCCCCCCCCCc1cccc(O)c1C(=O)O 85915191 KWYIZCAVXFLWSZ-UHFFFAOYSA-N 292.419 5.164 30 1 CKEF CCC/C=C/C/C=C/CCCCCCCCCC=O 14616219 NSHFPFZDITUYCS-AOSYACOCSA-N 264.453 5.999 30 1 CKEF CCCCCC=CCCC=CCC[C@@H](C)CCC=O 2356533870 BXUVLPDAJOPHFD-GOSISDBHSA-N 264.453 5.855 30 1 CKEF CC(C)c1ccc2c(c1)CC[C@H]1[C@@](C)(C=O)CCC[C@]21C 14411070 YCLCHPWRGSDZKL-XUVXKRRUSA-N 284.443 5.019 30 1 CKEF CCCCCCC/C(C)=C/[C@H](C/C=C/CCC(=O)O)OC 85881932 RDADKZPYWXITRK-RIIVEUMRSA-N 296.451 5.119 30 1 CKEF C=C/C(C)=C/CCCCCCCCCCCCCCC 238779133 VHGBWHGICRTHIQ-FMQUCBEESA-N 278.524 7.600 30 1 CKEF CCCCCCCCc1ccc(CC[C@@H]2CCCN2)cc1 1857537089 IIMOBWJLANXCTC-FQEVSTJZSA-N 287.491 5.274 30 1 CKEF CCCCCCC[C@@H](O)C=CCCCCCCCC(=O)O 2356498198 MHBZYZVYSHCDLI-QGZVFWFLSA-N 298.467 5.079 30 1 CKEF C=C[C@](C)(O)CC[C@@H]1C(=C)CC[C@@H]2[C@@H]1CCCC2(C)C 2356643800 GVOGOQOITKASLT-MTNOOBJLSA-N 276.464 5.112 30 1 CKEF C=C1C=C2C(=C(C)[C@@H]3CC=C(C)C[C@@H]3[C@@H]2C(C)C)CC1 2356654566 CBAMIIPKRBIWEN-YSIASYRMSA-N 268.444 5.838 30 1 CKEF CN1c2ccc(N=[N+]=[N-])cc2Sc2cc(N=[N+]=[N-])ccc21 64580642 WZUFSIJDQZWDAE-UHFFFAOYSA-N 295.331 5.803 30 1 CKEF CCCCCCCC=CCCCC=CCCCC(=O)O 2356452919 HRZZKTOXWMPYMT-UHFFFAOYSA-N 280.452 5.885 30 1 CKEF C=C1CC[C@H]2C(C)(C)CCC[C@]2(C)[C@H]1Cc1occc1C 34338007 CUFRQYVSJJHEKT-XKGZKEIXSA-N 286.459 5.929 30 1 CKEF CCCCCCCC/C=C/CCC/C=C/CCC(=O)O 86050870 HQDZXXJLRBJIPD-ZNGCIPOTSA-N 280.452 5.885 30 1 CKEF C=C[C@]1(C)CC[C@@H]2C(=CC[C@@H]3C(C)(C)C(=O)CC[C@@]23C)C1 2356432337 YAXFLCDQLAZOPS-SMOSDQRPSA-N 286.459 5.321 30 1 CKEF C=C[C@](C)(O)CCC=C(C)CCC=C(C)CC=CC(=C)C 2356486122 FRYUWZOFRMAVEU-FQEVSTJZSA-N 288.475 5.899 30 1 CKEF CCCCCCC[C@H]1/C=C\CCCCCCCC(=O)O1 141374278 GNBBSCLQJJURKI-KSVUCXBSSA-N 280.452 5.559 30 1 CKEF CCCCCCCCCCC/C=C/C=C\C(=O)OC 195766808 ACUIYXOOZPHRRA-MSBKQZQESA-N 266.425 5.193 30 1 CKEF CCCC/C=C/CCCCCCCCCCCCCC=O 220007907 JGYHJPQESLXOLQ-AATRIKPKSA-N 294.523 7.003 30 1 CKEF C=C[C@](C)(C=Cc1ccc(OCC)cc1)CCC=C(C)C 2356337400 YMUXTTVGTPYRPO-FQEVSTJZSA-N 284.443 6.037 30 1 CKEF CCCCCCCCC=CCCCCC=CCC(=O)OC 2356563263 VBPKOPGNWSSOTC-UHFFFAOYSA-N 294.479 5.973 30 1 CKEF CCCCCC#CCC=CCCCCCC(=O)n1cccc1 2356638969 ZFTGBFIOZBPMEU-UHFFFAOYSA-N 299.458 5.609 30 1 CKEF CC(C)=CCC/C(C)=C\CC1=CC(=O)c2ccccc2C1=O 31970517 WALCBDVYDNDULV-PTNGSMBKSA-N 294.394 5.075 30 1 CKEF C#CCCCCCCCCCCCCCCCCC(=O)O 33822201 KZVSOXSKIQOJLZ-UHFFFAOYSA-N 294.479 5.946 30 1 CKEF C=CCCCCCCCCCCCCCC[C@@H](C)CC 85599372 NRDJNVMOHMXHHB-FQEVSTJZSA-N 280.540 7.680 30 1 CKEF in-vitro C=C(CC/C=C(\C)CCC=C(C)C)[C@@H]1CC=C(C)CC1 85745337 XENHETWDODOOQC-OTJDAXFFSA-N 272.476 6.762 30 1 CKEF C=CCc1cccc2nc(C3CCC(CCCC)CC3)[nH]c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in-man C=C1C[C@]23CC[C@H]4C(C)(C)CCC[C@@]4(C)[C@H]2CC[C@@H]1C3 100778746 ONVABDHFQKWOSV-DSJDWBEOSA-N 272.476 5.975 30 1 CKEF endogenous,in-man C=C[C@]1(C)C=C2CC[C@H]3[C@@](C)(CCC[C@@]3(C)C(=C)C)[C@@H]2CC1 2356409110 YZVSLDRKXBZOMY-AANPDWTMSA-N 298.514 6.698 30 1 CKEF C=C(C)[C@@H]1C[C@H](O)[C@]2(C)CC=C(C)CCC=C(C)CC[C@H]12 2356553418 YUHFWLZIGAFAIH-ZGXWSNOMSA-N 288.475 5.423 30 1 CKEF C=C[C@@]1(C)CC[C@@H]2[C@](C)(CC[C@H]3C(C)(C)CCC[C@]32C)O1 27190251 IGGWKHQYMAJOHK-HNULKUCHSA-N 290.491 5.743 30 1 CKEF CCCCCCCCCCCC1(C=CC(=O)O)CCCC1 2356770800 IIYOJYAKTOOLRP-UHFFFAOYSA-N 294.479 6.109 30 1 CKEF CC=C1CC[C@@H]2[C@@H]3CCC4=CC(=O)CC[C@@H]4[C@@H]3CC[C@@]12C 2356496682 XVMUJEVXMOHDQB-OMZCGLGVSA-N 284.443 5.075 30 1 CKEF CC1=CCCC(C)(C)[C@H]1/C=C/C(=O)/C=C/c1cccc(C)c1 40898953 HWYJRKLZFVXMFW-GGAMHLHISA-N 294.438 5.516 30 1 CKEF CCCCC/C=C/C/C=C/CCCCCCC=O 95911866 JEBIMSVVDVTZIY-AVQMFFATSA-N 250.426 5.609 30 1 CKEF biogenic,in-vitro Cc1sc(N/N=C2\CCCC[C@H]2C)nc1-c1ccccc1 169330845 DGCMHMZRVVBGEV-WGBIJJAVSA-N 299.443 5.097 30 1 CKEF CCCCCCCC/C=C\CCCC/C=C/CC(=O)OC 238769432 VBPKOPGNWSSOTC-CAKSBQQSSA-N 294.479 5.973 30 1 CKEF C=C/C(C)=C/C[C@@H]1C(=C)CC[C@@H]2C(C)(C)[C@H](O)CC[C@]21C 238774013 QSFSRHYSSAIFJK-KYYVNAEDSA-N 288.475 5.278 30 1 CKEF CCCCCCCCCc1c(C)nc2cccc3c2c1CC3 587213968 MMKGFSYYWJSADR-UHFFFAOYSA-N 295.470 5.935 30 1 CKEF C[C@@H]1C=CC(=O)[C@]2(C)CC[C@@H]3[C@@H]4C(C)(C)CC[C@@]4(C)C[C@]132 2356378760 VXFNKFSIMARUMG-OVEBEXQOSA-N 286.459 5.010 30 1 CKEF C#C[C@@H](O)C=CCCCCCCCCCCCCCCC 2356732658 MQUXQBHHZDPZOB-HXUWFJFHSA-N 292.507 6.018 30 1 CKEF C=C(CCCCC)C(=O)Nc1ccc(Cl)c(Cl)c1 29415094 LJYWUCLBHRPJFX-UHFFFAOYSA-N 286.202 5.068 30 1 CKEF CCC/C=C\CCC/C=C\CC#CCCCCC(=O)O 38789097 VFYDOTWODCSOBH-ACHWKMRWSA-N 276.420 5.108 30 1 CKEF C=CC/C=C/CCCCCCCCCCCCCCC 137617321 VMWPBZLUNCMQTJ-VQHVLOKHSA-N 278.524 7.600 30 1 CKEF C=C[C@]1(C)C=C2CC[C@@H]3C(C)(C)[C@@H](O)CC[C@]3(C)[C@H]2CC1 238738187 ATQOOBSXQVRQPY-SQIBXOBRSA-N 288.475 5.112 30 1 CKEF C=CCCCCC1=N[C@H](CCCCCCCCC)CC1 36294953 NNAFMHTUNBLVDA-LJQANCHMSA-N 277.496 6.477 30 1 CKEF in-vivo CCCCCCCCCC(=O)/C=C/CCCCCC(=O)O 149870751 VUESNBMVNBNUIE-NTCAYCPXSA-N 296.451 5.288 30 1 CKEF C=CCCC[C@@H]1CC[C@H]2[C@H](CCCC=C)CCC[C@H]2N1 238782104 MVJWOGVXCWUFRR-AKHDSKFASA-N 275.480 5.236 30 1 CKEF CCCCCCCCCCCC=C=C[C@@H]1C[C@H]1C(=O)O 2356510990 UJLCTWQAXHCCFC-SYFTWWQRSA-N 278.436 5.339 30 1 CKEF CC1=C[C@@H]2C[C@H](C)[C@H]3CC[C@](C)(C#N)[C@H]4CC[C@H]([C@@H]1C)[C@@H]2[C@@H]43 40395406 IBAYMLMAQMYLOI-YWBXBGTBSA-N 297.486 5.437 30 1 CKEF C=C1C[C@]23CC[C@H]4C(C)(C)CCC[C@]4(C)[C@H]2CC[C@@H]1C3 100778747 ONVABDHFQKWOSV-YSDSKTICSA-N 272.476 5.975 30 1 CKEF endogenous,in-man C=C[C@H]1CC[C@H]2[C@@H]3CC=C4CC(=O)C=C[C@]4(C)[C@H]3CC[C@@]21C 215478294 LAEQSJPQYUFQGJ-NWSAAYAGSA-N 296.454 5.097 30 1 CKEF C=C[C@@H]1CC[C@@H]2[C@@H]3CC[C@]4(C=CC(=O)C=C4C)[C@H]3CC[C@@]12C 2356396780 WBURTZSEYTVSRX-SSHZTBRUSA-N 296.454 5.097 30 1 CKEF C=C(C)[C@@H]1CC[C@@]2(C)[C@H]1CCC(C)=CCCC(C)=C[C@H]2O 2356498373 UZTOJKXDMCORLM-HAGHYFMRSA-N 288.475 5.423 30 1 CKEF C=C1CC/C=C(\C)Cc2occ3c2C(C)(C)[C@H](CC1)CC3 13385176 MHENRDVDYDHIBZ-SXKJYUOZSA-N 284.443 5.739 30 1 CKEF CCCC/C=C/C=C\C#CCCCCCCCC(=O)O 14616248 ONYHYSLZNLJFHX-MDAAKZFYSA-N 276.420 5.108 30 1 CKEF endogenous,in-man C(=C/c1ccccc1)\C=N\Cc1cccc2ccccc12 28247719 WYVYDILEBAXWLN-IPEBZGMUSA-N 271.363 5.124 30 1 CKEF CC[C@H](C)c1[nH]c2ccc([C@H](C)CC)cc2c1C#N 587640896 GGDSJUZNNMNBSZ-NEPJUHHUSA-N 254.377 5.067 30 1 CKEF CCC=CCC=CCC=CCC=CCCCCCCC 2356693198 BGXLLGYBDSOFJB-UHFFFAOYSA-N 274.492 7.152 30 1 CKEF CC(C)=CCC[C@H](C)[C@@H]1CC[C@H](C)[C@]23C(=O)C=C(C)[C@H]2[C@H]13 2356795985 MRNGUJFIOCNXRR-INAMJSSCSA-N 286.459 5.176 30 1 CKEF C=C(C)[C@@H]1CCC(C)=CCCC(C)=CCC[C@H](C)C(=O)C1 2356856725 SDAKXOOFLBBHDI-RBUKOAKNSA-N 288.475 6.021 30 1 CKEF C=C(C)CCN(C(=O)OC(C)(C)C)c1cc(C(C)C)co1 1863641 RPKIMSLGSAWRJJ-UHFFFAOYSA-N 293.407 5.111 30 1 CKEF C=CCCCCCCC[C@H]1CC[C@@H](CCCCC=C)N1 5157705 YCQNSAJAZIVRFR-MOPGFXCFSA-N 277.496 5.770 30 1 CKEF biogenic,in-vivo CCCCCCCCCCCCCC[C@@H](C)CCC(=O)O 73386869 RFKPYBOOPHCXSY-GOSISDBHSA-N 298.511 6.579 30 1 CKEF CCCCCCCCCCC/C=C\CC/C=C/C(=O)OC 205127059 JYFRESOMPCQSFW-DQRBBIAISA-N 294.479 5.973 30 1 CKEF CC1=CCC2=CC[C@@H](C(C)C)[C@@]2(C)CC(=O)C(C)=CCC1 2356459879 CBNJKHFHKYZNCB-ICSRJNTNSA-N 286.459 5.631 30 1 CKEF C=CCCCC=CCC=CCCCCCCCC(=O)OC 2356474880 HBSINXLKYLEHNF-UHFFFAOYSA-N 292.463 5.749 30 1 CKEF C=C1CC/C=C(\C)CC[C@@H]2[C@@H]1C[C@@]2(C)C/C=C/C(C)(C)O 59779329 BLKYNXQZVZSPOH-PITHWRBHSA-N 288.475 5.423 30 1 CKEF CCCCCCO/N=C(C)/C=C/[C@H]1C(C)=CCCC1(C)C 103203627 RPIJHPOEEDTBPG-BVSWKUETSA-N 291.479 5.898 30 1 CKEF C=N[C@]1(C)CC[C@H]2[C@@H]3C4=C(CC[C@@H]31)CC(C)(C)C[C@H]4C[C@H]2C 2356573203 DKRUHPGQOBAZBQ-HLRZACHRSA-N 299.502 5.655 30 1 CKEF C=C(CO)[C@@H]1CCC2=C(CC[C@@H]3C(C)(C)CCC[C@@]23C)C1 14410402 IFEMUPIZBDMDQV-ZTNFWEORSA-N 288.475 5.258 30 1 CKEF CCCC/C=C\CCCCCCCC/C=C\CC=O 59725610 FQIGBMCAZZSOQM-NCCHCWSYSA-N 264.453 5.999 30 1 CKEF C=C[C@]1(C)C[C@H](O)[C@]2(C)[C@H](CC=C3[C@H]2CCCC3(C)C)C1 95912218 BSZUQZDCLPAXFZ-WGLCMCTQSA-N 288.475 5.112 30 1 CKEF biogenic,in-vitro C=C(C)[C@@H]1CC[C@@]2(C)CC=C(C)CCCC(CO)=CC[C@H]12 2356406786 GUBJHRKIQYMLSM-XUVXKRRUSA-N 288.475 5.424 30 1 CKEF C=C/C(C)=C\C[C@@H]1C(=C)CC[C@@H]2C(C)(C)CCC[C@@]12C 87528846 VJVMMXUPZGOBSN-ZMYBETPQSA-N 272.476 6.308 30 1 CKEF biogenic,in-vitro CC(C)=CCC[C@H](C)CC[C@@]1(C)SC(=O)C(C)=C1O 102083550 CKWJKZWYSHTBTO-BLLLJJGKSA-N 282.449 5.013 30 1 CKEF CCCCCCCC[C@@H](C)CCC[C@H](C)C(=O)OC 169622352 GEHLQHHIWRFUCM-CVEARBPZSA-N 270.457 5.353 30 1 CKEF CC[C@@H](C)c1ccc2[nH]c(-c3ccco3)c(CC#N)c2c1 587641446 FYQLIGCCIROWGY-GFCCVEGCSA-N 278.355 5.007 30 1 CKEF CC(C)C1=CC2=C(CC1)[C@]1(C)CCC[C@@](C)(C=O)[C@@H]1CC2 13301805 MDWQSNIQXHNTCK-UFYCRDLUSA-N 286.459 5.465 30 1 CKEF endogenous,in-man C=C[C@@](C)(O)CC[C@@]1(C)C(CCC=C(C)C)=CCC[C@H]1C 34442038 DETJKMZPBXGPIT-MISYRCLQSA-N 290.491 5.813 30 1 CKEF Cc1ccc2c3c1CCCC(C)(C)[C@@H]3C(=O)C(C(C)C)=C2 198429422 SJEIANAZXUWQML-SFHVURJKSA-N 282.427 5.063 30 1 CKEF CC1=CC[C@H]2C(=C[C@@H]1C)CC[C@H]1[C@](C)(C=O)CCC[C@]21C 238737760 VCUHLFQRJCWTIG-ONSCTEFMSA-N 286.459 5.321 30 1 CKEF C=C(C)[C@H]1CC=C(C)CCC=C(C)CC=C[C@@](C)(O)CC1 2356545228 OKMUNWQJDKXXGX-VQTJNVASSA-N 288.475 5.733 30 1 CKEF CCCCCCCCCC=CCCCCCCCC(=O)O 2356611497 YOKHLRHWEXTWJR-UHFFFAOYSA-N 296.495 6.499 30 1 CKEF C[C@@H]1CC[C@@H]2[C@H]3[C@H]4[C@@](C)(CCC[C@]4(C)C[C@]24CO4)CC[C@H]13 2356770322 KAJDUFBTKYJZGX-OWKOOASXSA-N 288.475 5.044 30 1 CKEF C=C(C)[C@@H]1CCC(C)=CCCC(C)=CCC[C@@]2(C)O[C@H]2C1 2356583853 KEOMEGAHKSPEBP-HSALFYBXSA-N 288.475 5.973 30 1 CKEF C=C[C@](C)(CCO)[C@@H]1C(=C)CC[C@@H]2C(C)(C)CCC[C@@]12C 2356623374 FZKQLBVGTCCWMH-PIKOESSRSA-N 290.491 5.360 30 1 CKEF CCCCCCCCCCCCCc1cccc(O)c1N 43422590 FAQMYXWAEIIZTN-UHFFFAOYSA-N 291.479 5.828 30 1 CKEF O=C(/C=C/c1ccc2ccccc2c1)c1ccc(Cl)s1 82155385 AVTCVDNKJUAPEM-SOFGYWHQSA-N 298.794 5.451 30 1 CKEF CC[C@H](C)c1ccc2[nH]c(-c3ccc(C#N)cc3)c(C)c2c1 587642591 NMEIOLPIQOUVRE-ZDUSSCGKSA-N 288.394 5.529 30 1 CKEF CC1=CC[C@@H]2[C@H](C(C)C)CC[C@@]2(C)C[C@]23O[C@]2(C)CC[C@@H]13 1857573548 UWVSQSHPNXDMGY-AXGBLAMUSA-N 288.475 5.353 30 1 CKEF CCCCCCC[C@H](C)C[C@@H](C)C[C@@H](C)C(=O)OC 2356628204 KSMQKHAGUICXMV-ARFHVFGLSA-N 270.457 5.208 30 1 CKEF C=C1CC/C=C(\C)CC[C@H]2[C@H]1C[C@]2(C)C(=O)CC=C(C)C 96085462 YRSZRXAWRABNPZ-SVLWDQMVSA-N 286.459 5.631 30 1 CKEF in-vitro C=C(C)[C@H]1C/C=C(\C)CC/C=C(/C)CC/C=C(\C)CC1 169293158 VWSPQDDPRITBAM-VHXHRSTNSA-N 272.476 6.762 30 1 CKEF C/C(=C/c1nc2cc(C#N)cc(Cl)c2[nH]1)C1CCCCC1 587967497 KONWGVXQSFBNLQ-XFFZJAGNSA-N 299.805 5.072 30 1 CKEF C#C[C@H](O)/C=C/CCCCCCCCCCCCCCC 14254334 MQUXQBHHZDPZOB-PKTISDMASA-N 292.507 6.018 30 1 CKEF CC(/C=C/C[C@H](C)CCCC(C)C)=C\C(=O)c1ccccc1 29311321 RFAPSKXNSZVNSL-JXKJHFCQSA-N 298.470 6.224 30 1 CKEF CCCCCCCC/C=C/c1c(C)cc(C)nc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in-man CCCCCCCCc1ccc([C@H]2CC[C@H](N)CC2)cc1 101460517 QFIGNJUWQPOESW-BGYRXZFFSA-N 287.491 5.575 30 1 CKEF C/C1=C/c2occ(C)c2C[C@H]2[C@H](C)C=CC(=O)[C@]2(C)CCC1 136663950 LHJBKKIYSPMWTO-RXXGLDPESA-N 298.426 5.115 30 1 CKEF C=C1CC/C=C(/C)Cc2occ3c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c1c(C)cc2[n+](c1C)CCC2 84708451 ONRJJWILNVOFPK-UHFFFAOYSA-N 288.499 5.220 30 1 CKEF CC1=C2C[C@H]3CC[C@@H](C)[C@]2(CC1=O)[C@@]3(C)C1CCCCC1 85549750 DCNBPHJBPGDXBN-MPRPZVOOSA-N 286.459 5.299 30 1 CKEF biogenic,in-vitro C=C(C)[C@@H]1CC(=O)[C@]2(C)C/C=C(/C)CC/C=C(\C)CC[C@@H]12 169335440 RNHJVFUOEQKJEA-QRCFHANNSA-N 286.459 5.631 30 1 CKEF C#CCC1(c2nc3cccc(C(C)(C)C)c3[nH]2)CCCCC1 586880050 XYVZXBHQQAPTSQ-UHFFFAOYSA-N 294.442 5.086 30 1 CKEF CCCCCC#CC/C=C/CCCCCCCC(=O)OC 33839609 PBUBQZYMYOKABE-ZHACJKMWSA-N 292.463 5.420 30 1 CKEF C=C[C@]1(C)CC[C@@H](C(=C)CNC(C)(C)C)C[C@H]1C(=C)C 40934338 BHAFLZQUXZZCIJ-ZIFCJYIRSA-N 275.480 5.115 30 1 CKEF CCCCCCCCCCCCCC[C@H](O)CNC(C)C 59535906 SCNIDHYGFLYKBI-IBGZPJMESA-N 299.543 5.437 30 1 CKEF C=CC[C@H](c1ccc(C)cc1)c1c(O)ccc2ccccc12 103172578 ZWGFHQYNRKAOMC-GOSISDBHSA-N 288.390 5.562 30 1 CKEF CC(C)=CC/C=C(\C)[C@@H]1CC[C@]2(C)C[C@@H]3O[C@]3(C)CC[C@@H]12 238741681 ASQCCLQPLZWFHT-ZRXXUIBRSA-N 288.475 5.663 30 1 CKEF C=C[C@](C)(O)CC[C@@]1(C)[C@H](C)CC[C@@]2(C)C(C)=CCC[C@H]12 238779722 YBDUXZKWDIUNSG-DEPCRRQNSA-N 290.491 5.502 30 1 CKEF CCCCCCCC[C@@H](CCC1CCCC1)C(=O)NCC 1911575812 FPNHXAHOHLZANW-SFHVURJKSA-N 295.511 5.460 30 1 CKEF CCCCCCCC[C@@H]1O[C@@H]1C/C=C\CCCCC(=O)O 43366165 MTWBSHWVWQGLIP-BEBBCNLGSA-N 296.451 5.096 30 1 CKEF C=C[C@@](C)(O)CCC1=C(C)CC[C@H]2C(C)(C)CCC[C@]12C 85993743 UHEFGGUIARHISN-DFQSSKMNSA-N 290.491 5.647 30 1 CKEF O=C1CCCCCCC2=C1[C@H](Sc1ccccc1)CC2 18045099 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CC(C)=CCC/C(C)=C\C=N/c1nnc(-c2ccccc2)o1 103217683 LPMSZEJTKXETIV-MLBUPBODSA-N 295.386 5.132 30 1 CKEF C=C(C)/C1=C/C=C(\C)CC[C@H]2O[C@@]2(C)CC/C=C(\C)CC1 144713365 UCWNYWBKCZSTFW-FSTSJPOJSA-N 286.459 5.893 30 1 CKEF C=C(C)[C@@H]1CC[C@]2(C)CC=C(C)CC[C@@H](O)C(C)=CC[C@H]12 2356585651 XLVICQJWBTVGFZ-NMLBUPMWSA-N 288.475 5.423 30 1 CKEF C=C(C)[C@@H]1CC[C@]2(C)/C=C/[C@H](C)CC/C=C(/C)CC[C@@H]12 169340281 DQSHCYDPVQKJSC-YIILWQIKSA-N 272.476 6.308 30 1 CKEF CC1=C(/C=C/C(=O)/C=C/c2ccc(C)cc2)C(C)(C)CCC1 95574767 DTZDYNMDJXOHTI-LDHFCIDVSA-N 294.438 5.660 30 1 CKEF CCCCCCCCCCc1cccc(OC)c1C(=O)O 43599008 XZYAYMRZTRZSTF-UHFFFAOYSA-N 292.419 5.077 30 1 CKEF C=CCCCCCCC[C@H](C)CCC[C@H](C)CCCC 85644963 HNNJJUHEQQKTEO-UXHICEINSA-N 280.540 7.536 30 1 CKEF O=C(/C=C/c1ccc(-c2ccccc2)cc1)c1ccsc1 98084218 LDHRIKKXIOZQEE-DHZHZOJOSA-N 290.387 5.311 30 1 CKEF CCCCCCC/C=C/C/C=C/C[C@H]1O[C@@H]1CC 238752100 VDCIZKQRWVMECW-CYNNULBVSA-N 250.426 5.417 30 1 CKEF C[C@H]1CC[C@@H](C(C)(C)S)c2nc3cccc4c3c(c21)CC4 587216552 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6.388 30 1 CKEF C=CC(C)=CC[C@@H]1C(=C)CC[C@@H]2[C@@](C)(C=O)CCC[C@]21C 2356752137 GBIAINFWNNBJAS-WTGUMLROSA-N 286.459 5.487 30 1 CKEF CCCCCCCCCCC/C=C\CC/C=C\C(=O)OC 205127026 JYFRESOMPCQSFW-ZHBRIHKXSA-N 294.479 5.973 30 1 CKEF C=C1CC/C=C(\C)CC[C@@H]2[C@@H]1C[C@@]2(C)C(=O)CC=C(C)C 209639571 YRSZRXAWRABNPZ-FTQSXLKMSA-N 286.459 5.631 30 1 CKEF CC/C=C(\C)CCCCCCCCCCCCCC 100305016 OKFARPKORSESQZ-HTXNQAPBSA-N 266.513 7.434 30 1 CKEF CCCCC/C=C\C/C=C\CCCCCCCCC 148999261 CHDWJDUCMSJPPJ-OHNCOSGTSA-N 264.497 7.210 30 1 CKEF CCCCCCCC=CC=CC=CC=CC=CC(=O)O 2356342011 DESQXKZEZABPBW-UHFFFAOYSA-N 274.404 5.213 30 1 CKEF C=C1CC[C@@H]2C(C)(C)CCC[C@]2(C)[C@@H]1CC=C(C)CC=O 2356707215 KPYYUYXSRFDZHH-QWFCFKBJSA-N 288.475 5.711 30 1 CKEF CCCCCCCC/C=C\CCCCCCCC(C)=O 43300221 BCGHKURMNAHJEA-KHPPLWFESA-N 280.496 6.613 30 1 CKEF CCCCCCCCC[C@@H]1CC[C@H](CCCCCC)N1 85950556 XUEUDIJZMZDEHO-RBUKOAKNSA-N 281.528 6.218 30 1 CKEF C=C[C@@]1(C)C=CC2=C(C1)C(=O)C[C@H]1C(C)(C)CCC[C@]21C 685935655 AGQRSFTXLNSAFT-YSIASYRMSA-N 284.443 5.241 30 1 CKEF biogenic,in-vitro CCCCC=CCCC=CCCCCCCCCCCC 2356684235 LBLSBMUWVIFTHP-UHFFFAOYSA-N 292.551 7.990 30 1 CKEF CCCCCCCC[C@H](CCC1=CCC=C1)C(=O)O 1911584453 UJBMUYSSGQJKRR-MRXNPFEDSA-N 264.409 5.104 30 1 CKEF C=C(C)[C@@H]1CC[C@]2(C)CC(CNC3CCCC3)=CC(C)=C2C1 2356363182 IJNLEYBKTGEKCP-WIYYLYMNSA-N 299.502 5.548 30 1 CKEF C=C[C@]1(C)CC=C2[C@H](CC[C@@H]3C(C)(C)C(=C)CC[C@]23C)C1 2356379761 HKVGCSPOXXJPKO-KRZXBLKESA-N 284.487 6.308 30 1 CKEF CCCCCCCCCCCC=CCCC(=O)OCC 2356594023 FPRZZMMPTRELJP-UHFFFAOYSA-N 282.468 5.807 30 1 CKEF CCCCCC/C=C/CCC/C=C/CCCCC(=O)O 86050882 RTJZUCGIUVBZCN-GEJAPMDVSA-N 280.452 5.885 30 1 CKEF C=C[C@](C)(C=Cc1ccc(OC)cc1)CCC=C(C)C 2356336104 JQPZJZUJFGLNKH-IBGZPJMESA-N 270.416 5.647 30 1 CKEF C=C[C@]1(C)C=CC2=C(C1)C(=O)C[C@@H]1C(C)(C)CCC[C@]21C 2356340891 AGQRSFTXLNSAFT-MISYRCLQSA-N 284.443 5.241 30 1 CKEF CCCCCCCCCC=Cc1cc(=O)c2ccccc2[nH]1 2356405363 QXNYALKSDQNMBV-UHFFFAOYSA-N 297.442 5.682 30 1 CKEF CCCCCCCCCC=CCC=CCC(=O)O 2356468858 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5.534 30 1 CKEF CCCCCCCCCC[C@@H](C)/C=C(\C)C(=O)O 102180929 NPIJNQJBRSVMRD-SXWSKBOKSA-N 254.414 5.184 30 1 CKEF CCCCCCC[C@@H]1CCc2c1nc1cccc3c1c2CC3 587213580 KNARCVNDCFZQMN-MRXNPFEDSA-N 293.454 5.724 30 1 CKEF C=C(C)[C@]1(O)CC[C@]2(C)CC=C(C)CCC=C(C)CC[C@@H]12 2356333127 NUHPZDOCKJPIPC-HSALFYBXSA-N 288.475 5.567 30 1 CKEF CCCCCCCCCCCCC[C@H]1CCN=C1C 85593388 JXIIMCBSTUJBBG-SFHVURJKSA-N 265.485 6.168 30 1 CKEF C=C1CC[C@@H]2C(C)(C)CCC[C@]2(C)[C@H]1CCC(C)=O 1866560 JUSMYQGXNCVARI-LZLYRXPVSA-N 262.437 5.154 30 1 CKEF biogenic CCCCCC/C=C\CCCC/C=C\CC(=O)O 102181789 AKJLYECXIBBTQR-WRKWTSPFSA-N 252.398 5.104 30 1 CKEF C=C[C@H]1CC[C@@H]2[C@@]3(C)CCCC(C)(C)[C@@H]3CC[C@@]2(C)OC1 238786411 RVZMQOMNZXTONL-VBYALHQYSA-N 290.491 5.600 30 1 CKEF C=CC(C)=CC[C@@H]1C(=C)[C@H](O)C[C@H]2C(C)(C)CCC[C@@]12C 2356768896 UITXFWAOWQMNFN-XSYGEPLQSA-N 288.475 5.278 30 1 CKEF CCCCCC/C=C\C/C=C\CCCCC(=O)O 102181798 JZJWNDAFHKZSNQ-NQLNTKRDSA-N 252.398 5.104 30 1 CKEF C=C=CCC[C@@H]1CC[C@@H]2[C@H](CCCC=C)CCC[C@H]2N1 2356405525 VVRBZUYQHINRQE-NCXUSEDFSA-N 273.464 5.001 30 1 CKEF CCCCCCCCCC(C)=CCCCCC(=O)O 2356618069 DINXWFVSXJCVPK-UHFFFAOYSA-N 268.441 5.718 30 1 CKEF CCCCCCCCCCCCC/C=C\CCC(=O)O 78684430 OBNDIDKDLXSSCB-PFONDFGASA-N 282.468 6.109 30 1 CKEF CCC=CCC=CC[C@H]1O[C@H]1CCCCCCCCC 2356500812 CEWBAXULNPORDY-MOPGFXCFSA-N 278.480 6.197 30 1 CKEF Cc1ccc(-c2[nH]c3c(C)cc(Cl)cc3c2C#N)c(C)c1 587623975 BCXUGNHVYADBEN-UHFFFAOYSA-N 294.785 5.285 30 1 CKEF C=C1CCCC(C)(C)[C@@H]1CCC(C)=CCCc1ccoc1 2356655728 KBXKFFRFDVAEGH-LJQANCHMSA-N 286.459 6.321 30 1 CKEF C=C(C)[C@@H]1CC[C@]2(C)C[C@@H]3c4c(coc4C[C@@H]3C)CC[C@@H]12 2356728437 JNMFJYUTUJNPQB-GINSCSNVSA-N 284.443 5.500 30 1 CKEF C=C[C@]1(C)CC[C@H]2C(=CC[C@H]3C(C)(C)CCC[C@@]32C)C1 2039323 VCOVNILQQQZROK-RAUXBKROSA-N 272.476 6.142 30 1 CKEF in-vitro C=C1[C@@H](O)CC[C@H](C)CCC2=C(C)[C@@H]3[C@H]1CC[C@]3(C)CC2 238769214 IJNHRMZXLSMPNK-KHSUIZDFSA-N 288.475 5.256 30 1 CKEF C=C(C)[C@@H]1CC[C@]2(C)CC=C(C)CC[C@@H]3O[C@]3(C)CC[C@H]12 2356447400 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286.459 5.321 30 1 CKEF CC=CCCCCCCCCCCCCCCC=O 2356364379 WTQUVMLIINDJCS-UHFFFAOYSA-N 266.469 6.223 30 1 CKEF CCCCCCCCCNc1cc(C)nc2ccccc12 14947243 BVLPLVIRVRAFMQ-UHFFFAOYSA-N 284.447 5.706 30 1 CKEF C=C1C[C@@]23CC[C@@H]4C(C)(C)CCC[C@]4(C)[C@H]2C(=O)C[C@@H]1C3 685935694 OBGDKDRUHRCMHT-ZHVNMTGZSA-N 286.459 5.154 30 1 CKEF biogenic,in-vitro CCC(C)=CCCC(C)=CC[C@@H](C)[C@@H](C)CC=O 2356626306 RXBWBMXVYZIXDB-SJORKVTESA-N 250.426 5.321 30 1 CKEF CC(C)=CCC[C@@]1(C)[C@@H]2[C@H]1C(=O)C=C1CCC[C@H](C)[C@@]12C 263590359 UMWCYOSJOSAMFG-AXBXVSCFSA-N 286.459 5.321 30 3 CKEF CCCCCCCCCCCCCCCC(=O)C=[N+]=[N-] 73292613 JMTKDBURRARGBF-UHFFFAOYSA-N 280.456 5.337 30 1 CKEF CCC[C@@H]1CC=C(C#Cc2cc(Cl)ccc2OC)CC1 587912741 XQHWDAGCDCPXTI-CQSZACIVSA-N 288.818 5.227 30 1 CKEF CC(=O)C1=CC[C@@H]2[C@@H]3CC=C4CCCC[C@]4(C)[C@H]3CC[C@]12C 2356680521 LFAFZZXTPYTILE-DARKYYSBSA-N 298.470 5.465 30 1 CKEF CCCCCCCC[C@@H](C)CCC[C@@H](C)C(=O)OC 169622350 GEHLQHHIWRFUCM-HZPDHXFCSA-N 270.457 5.353 30 1 CKEF CCCCCCC/C=C\C/C=C\C[C@H]1O[C@H]1CC 169622803 VDCIZKQRWVMECW-QRZFWQSQSA-N 250.426 5.417 30 1 CKEF C=C[C@]12CCC(=C)C=C1CC[C@@H]1[C@@H]2CC[C@]2(C)[C@@H](O)CC[C@@H]12 28950315 AIAPWABHNBRBRB-PXQJOHHUSA-N 298.470 5.032 30 1 CKEF CCCCCCCC[C@@H]1OCCC[C@@H]1CCCCCCC 32788659 RZWIIPASKMUIAC-PMACEKPBSA-N 296.539 6.893 30 1 CKEF biogenic,in-vitro C=C(C)[C@@H]1CC[C@]2(C)[C@H]1CC[C@]1(C)C=C[C@@](C)(O)CC[C@@H]12 238747111 RKCZDGJPJJXXLC-YDRVBMSGSA-N 288.475 5.112 30 1 CKEF C=C(C)CCC=C(C)CCC=C(C)[C@H]1CC=C(C)CC1 2356470089 NBDOWXJKEJZWKE-FQEVSTJZSA-N 272.476 6.762 30 1 CKEF C=CC=CC#CC#CC#CC#CCCCCCCCCCC 2356640639 KUCPSKMYUAUZRF-UHFFFAOYSA-N 290.450 5.273 30 1 CKEF CC1(C)CC(=O)C=C(c2cccc3c2oc2ccccc23)C1 12479616 UCJYKSIOQMIILK-UHFFFAOYSA-N 290.362 5.359 30 3 CKEF CCCCC/C=C\CC#CCCCCCCCCC 169622557 OWAGRBFFVIWJKP-QBFSEMIESA-N 262.481 6.657 30 1 CKEF C=C[C@@]1(C)CC[C@@]2(C)[C@@H](CC[C@]3(O)[C@@H]2CCCC3(C)C)C1 238736146 SKMIQNYLDKLTBK-DLRXZHIHSA-N 290.491 5.336 30 1 CKEF CCC=CCC=CCC=CCCCCCCCC=O 2356451851 TUCMDDWTBVMRTP-UHFFFAOYSA-N 262.437 5.775 30 1 CKEF C=C[C@H](C)CCCCCCC1=CC=C(C)[C@@H]2CCCN12 2356862362 UZTOICXMMLZQAW-LPHOPBHVSA-N 273.464 5.457 30 1 CKEF CCCCCCC[C@@H]1Oc2c(C)c(C)c(O)c(C)c2S1 38150804 PBIRCCXCQRPITN-CQSZACIVSA-N 294.460 5.489 30 1 CKEF CC/C=C\C/C=C\C[C@@H]1O[C@@H]1CCCCCCC 169622798 XKXHPEFHBVBMGF-QXRKNUMISA-N 250.426 5.417 30 1 CKEF C=CCCCCCCCC=CC[C@H](O)[C@@H](O)CCCCC 2356524849 DJFPWUBTBKGAGA-OALUTQOASA-N 296.495 5.152 30 1 CKEF C=CC=CCC=CC[C@H]1O[C@@H]1CCCCCCCCCC 2356606728 BXFNNIGYLSZPIT-WOJBJXKFSA-N 290.491 6.363 30 1 CKEF C=C[C@]1(C)CC=C2[C@H](CC[C@H]3C(C)(C)C(=O)CC[C@]23C)C1 2356619404 GGLGUPAUBNQEAP-HIBPSGHXSA-N 286.459 5.321 30 1 CKEF C=C[C@H](C)CCCCCC[C]1C=CC(C)=C2CCCN12 2356810322 IAPLAMLMEPZKHA-INIZCTEOSA-N 272.456 5.621 30 1 CKEF C=C1CC[C@]23C[C@H]1C[C@@H]2CC[C@H]1C(C)(C)CCC[C@@]13C 1532410 GNNRCBBKCVNPSC-ORZNMBHWSA-N 272.476 5.975 30 1 CKEF C=C(C)[C@@H]1CC=C(C)CC[C@H]2O[C@@]2(C)CCC=C(C)CC1 2356442247 UMSZXWFPQXNYPW-ZCNNSNEGSA-N 288.475 5.973 30 1 CKEF C=C[C@]1(C)CC[C@]2(C)C3=C(CC[C@@H]2C1)C(C)(C)CCC3 2356575020 XLQFULDKFPTYLT-YSGRDPCXSA-N 272.476 6.286 30 1 CKEF CCCCCC=CC[C@H]1O[C@@H]1CCCCCCCC(=O)O 2356580919 FBUKMFOXMZRGRB-IAGOWNOFSA-N 296.451 5.096 30 1 CKEF CCCCCCCCCCCCCc1cccc(O)c1 44305643 IFGRPNIAGKTMCH-UHFFFAOYSA-N 276.464 6.246 30 1 CKEF CCCCCCCCCCc1ccc2c(c1)OCO2 60151990 NZPVJNJHHDLBCQ-UHFFFAOYSA-N 262.393 5.099 30 1 CKEF biogenic,in-vitro CCCCCCCCCCCCCCCc1cnc(N)[nH]1 149544030 KRQAOOSQUTZGQZ-UHFFFAOYSA-N 293.499 5.626 30 1 CKEF CCCCCCCCCCCC[C@@H](C)CCC[C@@H](C)CC 85644744 ZRWWZZPRTCSWHU-LEWJYISDSA-N 296.583 8.150 30 1 CKEF CCCCCCCCC[n+]1c(C)sc2ccccc21 96928482 VHIJPDTUGCOTML-UHFFFAOYSA-N 276.469 5.248 30 1 CKEF Cc1cccc(-c2[nH]c3ccc(F)c(Cl)c3c2C#N)c1C 587629974 BSRHSDXKDASNQR-UHFFFAOYSA-N 298.748 5.116 30 1 CKEF N#CC(c1ccccc1)(c1ccccc1)C1CCCCC1 27092812 DFCPGSVFJAZMDA-UHFFFAOYSA-N 275.395 5.077 30 1 CKEF CCCCCCCCC(=O)c1coc2ccc(Cl)cc12 587276226 NXCHWPZMMZTDEY-UHFFFAOYSA-N 292.806 6.020 30 1 CKEF C=C1CC[C@@H]2[C@](C)(CC[C@@H]3C(C)(C)CCC[C@]32C)C[C@@H]1O 2356755368 FVXFGAOOEQVNTJ-AZNNDXHDSA-N 290.491 5.336 30 1 CKEF CCC(=O)/C=C(C)/C=C/C[C@H](C)CCCC(C)(C)OC 29316195 VJQMYEROTZGZKU-VQTLTRSMSA-N 280.452 5.090 30 1 CKEF CCCCCCCCCCCCCCCC[C@@H](O)C=O 78017279 UXRGRFSIHMNRDL-GOSISDBHSA-N 284.484 5.418 30 1 CKEF in-vitro C=C(C)C[C@@H]1C[C@H](C)[C@@H]2CC[C@](C)(C#N)[C@@H]3CCC(=C)[C@@H]1[C@H]23 2356333266 OSTUOHSDKCQCCA-VQGLPFKNSA-N 297.486 5.747 30 1 CKEF C=C(C)[C@@H]1CC[C@@]2(C)CC=C(C)CCCC(CO)=CC[C@@H]12 2356406784 GUBJHRKIQYMLSM-SLFFLAALSA-N 288.475 5.424 30 1 CKEF CCCCCCCC=CCCCCCCCC(=O)OC 2356409361 GTSDEAFDHYYGKM-UHFFFAOYSA-N 282.468 5.807 30 1 CKEF C=CC(=C)CCC=C(C)CCC=C(CC)CCC=C(C)C 2356664821 JSAPHQWMJSFUEE-UHFFFAOYSA-N 286.503 7.318 30 1 CKEF CCC=CCC=CC[C@@H]1O[C@@H]1CCCCCCCCCC 2356693112 XXOTXZKHNZSWSZ-VQTJNVASSA-N 292.507 6.587 30 1 CKEF CCCCCC/C=C\[C@@H](O)CCCCCCCCC(=O)O 85626741 VALAUXDVLYFOEG-VWILAXROSA-N 298.467 5.079 30 1 CKEF C=C(C)[C@@H]1CC[C@]2(C)CC=C(C)CCC=C(C)CC[C@@H]12 2356420718 KZHMFCYCMBPVGZ-UFYCRDLUSA-N 272.476 6.452 30 1 CKEF C=C[C@]1(C)CC=C2[C@H](CC[C@@H]3[C@](C)(CO)CCC[C@@]23C)C1 32090375 YSFNIVKHYKBKHI-XLSIIYIISA-N 288.475 5.114 30 1 CKEF C=CCCC/C=C\C/C=C\C/C=C\C/C=C\CCCCC 103268648 WMMKRRHSYGLRHN-MAZCIEHSSA-N 286.503 7.318 30 1 CKEF CC1=CC(=O)[C@@H]2C(C)(C)CCC[C@@]2(C)[C@H]1/C=C\c1ccoc1 238741509 MXTCKNHXBBXULO-KJFCNWGDSA-N 298.426 5.271 30 1 CKEF CCCCCCCCCCCCc1ccc(O)c(O)c1O 64447004 AALDDVUYNHJZLY-UHFFFAOYSA-N 294.435 5.267 30 1 CKEF CCCCCCCCC/C=C/CCCCCC(=O)O 102182203 FJMPAYNWWWCODA-ZHACJKMWSA-N 268.441 5.718 30 1 CKEF C=C[C@](C)(O)CC[C@]1(C)[C@@H](C)CC=C2[C@H]1CCCC2(C)C 64633836 TXBORCBWDUAHAC-MFHCWRBVSA-N 290.491 5.502 30 1 CKEF in-vitro C=CC[C@@H](c1ccccc1)c1c(O)ccc2ccccc12 103172566 WOQLUFYRGPASBH-KRWDZBQOSA-N 274.363 5.253 30 1 CKEF CCCCCCCCCCC[C@H](C(=O)O)C1CCCC1 197635853 CUSUHQDXXFSOQD-KRWDZBQOSA-N 282.468 5.798 30 1 CKEF CCCCCCCC=CCC=CCCCCCC(=O)OC 2356329033 QETDZFXKONOEOC-UHFFFAOYSA-N 294.479 5.973 30 1 CKEF C=C(C)[C@@H]1CC[C@@]2(C)CC=C(C)CCC=C(C)C(=O)C[C@@H]12 2356657011 QWFVFRAHUCTMJX-CMKODMSKSA-N 286.459 5.631 30 1 CKEF C=C[C@](C)(O)CC[C@]1(C)[C@@H]2CCC=C(C)[C@@]2(C)CC[C@H]1C 14928154 YBDUXZKWDIUNSG-OBKDMQGPSA-N 290.491 5.502 30 1 CKEF endogenous,in-man CCCCCCCNc1c2ccccc2nc2ccccc12 95859570 MOPIFNSMNXBREW-UHFFFAOYSA-N 292.426 5.770 30 1 CKEF C=C1CCC=C(C)CC[C@](C)(C/C=C/C(C)(C)O)[C@H]2C[C@H]12 299808791 SPKCOCUHKUVJLN-OTNDOSFMSA-N 288.475 5.423 30 1 CKEF C=C(C)[C@@H]1CC[C@]2(C)[C@@H]1CC[C@]1(C)C[C@@H]3O[C@]3(C)CC[C@H]12 34750620 BJFZGSGLSFPCRM-VGWIFYLRSA-N 288.475 5.353 30 1 CKEF C=C(C)[C@H]1CCC2(C[C@H]1CCC)C1CC3CC(C1)CC2C3 43462769 DYQIJNXBUDODDH-FATNNQDHSA-N 286.503 6.221 30 1 CKEF CCCCCCCCCCC12C[C@@H]3CC(C[C@@H](C3)C1)[C@@H]2N 43620398 HNYSIBHYZZVCEI-LKXUXUIPSA-N 291.523 5.671 30 1 CKEF C=C(C)[C@@H]1CC[C@]2(C)/C=C/[C@H](C)CC/C=C(\C)CC[C@@H]12 102814314 DQSHCYDPVQKJSC-IAGGUBJBSA-N 272.476 6.308 30 1 CKEF CCCCCCCCCCCC[C@H](C)CCCCCO 118354920 XVLNBIZKLBGPFL-IBGZPJMESA-N 284.528 6.486 30 1 CKEF CC1=C(CCc2ccoc2)[C@@]2(C)CCCC(C)(C)C2=CC1=O 169310312 QWRWJNFMCJNXSU-HXUWFJFHSA-N 298.426 5.254 30 1 CKEF CCCCCCCC[C@H]1C[C@H]1CCCCCC(=O)O 221072695 FMVHABNRCKPNEA-JKSUJKDBSA-N 268.441 5.408 30 1 CKEF C=C1C[C@@]23CC[C@@H]4C(C)(C)CCC[C@@]4(C)[C@]2(O)CC[C@@H]1C3 238743603 QQJJYYMKZXXMHH-YKXHTNLXSA-N 288.475 5.090 30 1 CKEF C=N[C@@]12CC=C(C)[C@H]3[C@@H]1[C@@H](CC[C@@H]2C)[C@@H](C)C[C@H]3C=C(C)C 2356432462 BBWZURJIVMADBA-LWRBVXSGSA-N 299.502 5.677 30 1 CKEF CCCCCCCC/C=C\CCCCCC(=O)OCC 59265019 DOUAMAQITOOBGB-QXMHVHEDSA-N 282.468 5.807 30 1 CKEF CCCCCCCCCC[C@H](C)CCC[C@@H](C)C(=O)O 102180686 AIJKUSCCAPFTGP-DLBZAZTESA-N 284.484 6.044 30 1 CKEF C=C/C(C)=C\C[C@@H]1C(=C)CC[C@@H]2[C@@](C)(C=O)CCC[C@]21C 238766838 GBIAINFWNNBJAS-ZVHNLXMXSA-N 286.459 5.487 30 1 CKEF CCCCCCCCCCCc1c(OC)ccc(O)c1O 238775587 GWHUDSFTSIWWMJ-UHFFFAOYSA-N 294.435 5.180 30 1 CKEF C=CC(C)=CC[C@@H]1C(=C)CC[C@@H]2C(C)(C)[C@H](O)CC[C@]21C 2356491832 QSFSRHYSSAIFJK-MLYOOKFZSA-N 288.475 5.278 30 1 CKEF C=C1CC[C@@H]2[C@H]([C@@H]3C[C@H](C)C[C@H]13)[C@@]2(C)C1CCCCC1 2356774725 CCAOEVWDWKOAIX-UERDNWEXSA-N 272.476 5.831 30 1 CKEF CCCCCCCC=C[C@@H](C)CCCCCC(=O)OC 2356616046 QHHFZBWNINTCMY-QGZVFWFLSA-N 282.468 5.663 30 1 CKEF C=C[C@]1(C)CC[C@]2(C)[C@H](O1)[C@@H]1C[C@@H]1[C@@]2(C)CCC=C(C)C 2356804625 ZILNHCOODOJRFM-DNDRQTMDSA-N 288.475 5.519 30 1 CKEF C=C(CO)[C@H]1C/C=C(\C)CC/C=C(\C)CC/C=C(\C)CC1 38227958 MQZXPSOBCLRACA-JTSWHKSPSA-N 288.475 5.734 30 1 CKEF CCCCCCCC/C=C\C=C\CCCCCC(=O)O 142047165 HACBQSMIIGXKGA-XAZJVICWSA-N 280.452 5.885 30 1 CKEF C=C(C)[C@@H]1C/C=C(/C)CC/C=C(\C)CC/C=C(/C)CC1=O 238783866 FHFFESCITRPPTG-OZDVHDMMSA-N 286.459 5.941 30 1 CKEF CCCCCCC=CCCCCCCCC(C)=O 2356665527 KZXNFRBVPGNOIW-UHFFFAOYSA-N 252.442 5.833 30 1 CKEF C=C[C@H](C)CCCCCCC1=CC=C(C)[C@H]2CCCN12 2356862363 UZTOICXMMLZQAW-QFBILLFUSA-N 273.464 5.457 30 1 CKEF CCCCCCCC[C@@H](C)CCC[C@@H](C)[C@@H](C)O 85646254 VCMNTYQFWXTWTL-BRWVUGGUSA-N 256.474 5.560 30 1 CKEF C=C(C)/C=C/C[C@@H](C)CCC[C@@H](C)CCC[C@@H](C)CC 95914368 HPXTYQIQNKBSIK-UQYDPPGPSA-N 278.524 7.168 30 1 CKEF biogenic,in-vitro C=C(C)C=CC=C(C)[C@@H]1CC[C@]2(C)C[C@@H]3O[C@]3(C)CC[C@@H]12 2356389959 LVJASFIHCIIUER-WKWVNEEDSA-N 286.459 5.439 30 1 CKEF CCC=CCCCCCCCCCCCCCC 2356407889 OCKCCFAPMYQFLZ-UHFFFAOYSA-N 252.486 7.044 30 1 CKEF C=CCCCCCCC=CCCCCCCCC=O 2356778327 RXORHYFDDNAOQS-UHFFFAOYSA-N 264.453 5.999 30 1 CKEF C=CC[C@H](O)C(C)=C[C@H](C)CCC(=C)Cc1ccccc1 2356789177 CZLPMTFBHMLOHX-UZLBHIALSA-N 284.443 5.085 30 1 CKEF CCCCCCCC/C=C\C/C=C\C[C@@H]1O[C@H]1CC 169622811 YBICCWVMVPFDAY-QDCFCPKSSA-N 264.453 5.807 30 1 CKEF C[C@@H](C/C=C/C#CC(C)(C)C)Cc1cccc2ccccc12 44247025 BVKVOBLSRDPEJW-QWNKOJSDSA-N 290.450 6.014 30 1 CKEF CCCCCCCC/C=C\c1c(C)cc(C)[n+]2c1CCC2 84710497 AGGJXWWYHWPZGM-QBFSEMIESA-N 286.483 5.301 30 1 CKEF CC1(C)C/C(=N/Cc2ccccc2)Nc2ccc(Cl)cc21 96908685 QXBSCGKGCGTVIP-UHFFFAOYSA-N 298.817 5.032 30 1 CKEF C=C(CCC=C(C)C)[C@@H]1CC[C@@]2(C)[C@@H](C1)C(C)=CC[C@H]2O 2356595602 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2356571950 LAIGSRSLYYWKPR-UHFFFAOYSA-N 294.435 5.064 30 1 CKEF Cc1ccccc1N=C/C=C1\N(C)c2ccccc2C1(C)C 263592106 YXFWFPCSDCGEMJ-CHHACQMGSA-N 290.410 5.009 30 3 CKEF CC1=CCCC(C)(C)[C@@H]1/C=C/C(C)=N\OCCC(C)C 103216730 PVNGFTGBTBRPCK-KYLVCFRPSA-N 277.452 5.364 30 1 CKEF C=C/C(C)=C\C[C@@H]1C(=C)CC[C@@H]2[C@@](C)(CO)CCC[C@]21C 238749860 KDNYVXLYMQKQHH-ZVHNLXMXSA-N 288.475 5.280 30 1 CKEF C=CC(=C)CC[C@H]1C(=C)CC[C@H]2C(C)(C)C[C@H](O)C[C@]12C 238785685 SPUFXXJOJKNNJI-CGBFIWBNSA-N 288.475 5.278 30 1 CKEF CC1=C[C@@H]2C[C@H](C)[C@@H]3CC[C@](C)(C#N)[C@@H]4CC[C@H]([C@@H]1C)[C@@H]2[C@H]34 2356357352 IBAYMLMAQMYLOI-BWATWNSPSA-N 297.486 5.437 30 1 CKEF C=C1CC[C@@H]2C(C)(C)[C@H](O)CC[C@@]2(C)[C@H]1CC=C(C)CC 2356599782 LUHDNSLUUHBFFZ-XFKSJGNHSA-N 290.491 5.502 30 1 CKEF C=C(C)C=CCC(C)=CCCC(C)=CCCC(C)=CCO 2356671729 JEMJHGRVHLIJQH-UHFFFAOYSA-N 288.475 5.900 30 1 CKEF C=C(C)[C@H]1CCC(C)=CCCC(C)=CCC[C@@H](C)C(=O)C1 2356856723 SDAKXOOFLBBHDI-MOPGFXCFSA-N 288.475 6.021 30 1 CKEF 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268.441 5.718 30 1 CKEF C=C[C@]1(C)CC[C@]2(O1)[C@H](C)CC[C@H]1C(C)(C)CCC[C@@]12C 2356340788 YFIVBYGSVFHTOP-PPLKHSGQSA-N 290.491 5.743 30 1 CKEF C=C1CC[C@H]2C(C)(C)CCC[C@]2(C)[C@H]1CCC(C)=O 1866558 JUSMYQGXNCVARI-XYJFISCASA-N 262.437 5.154 30 1 CKEF C=C[C@]1(C)CC[C@@]2(C)[C@@H]3CCCC(=C)[C@]3(C)CC[C@@H]2C1 238744669 GHYZJFFJSPZRIU-LTFPLMDUSA-N 272.476 6.142 30 1 CKEF COc1ccc(Cl)cc1C#Cc1ccccc1C(C)(C)C 587901534 HRTHNMNLJIPUPT-UHFFFAOYSA-N 298.813 5.046 30 1 CKEF C=C(C)[C@@H]1CC[C@]2(C)CC=C(C)CC[C@@H]3O[C@]3(C)CC[C@@H]12 2356447401 QYPBSHVQNJCZQA-VYJAJWGXSA-N 288.475 5.663 30 1 CKEF C=C1CCC=C(C)CC[C@H](C(=C)CCC=C(C)C)[C@@H]1CO 2356733944 HHVRAMGRJIPOAE-WOJBJXKFSA-N 288.475 5.590 30 1 CKEF CCC(=O)[C@H](C)C(=O)C(C)=C[C@H](C)C[C@@H](C)C[C@@H](C)CC 2356801836 QWDKEBCUYIBBBK-MPTYRVRUSA-N 294.479 5.216 30 1 CKEF C=C[C@@]1(C)CC[C@H]2[C@@H](CC[C@H]3C(C)(C)CCC[C@@]32C)O1 13509738 JOTSQVNPXHLILH-JZFYCYHFSA-N 276.464 5.353 30 1 CKEF C=C(C)[C@@H]1CC=C(C)CCC=C(C)CC[C@@H](C(=C)C)C1 2356662113 CIJBIDDWTJGAAD-WOJBJXKFSA-N 272.476 6.618 30 1 CKEF C=C1C[C@H]2C=C[C@@]3(C[C@H](C)C[C@H]13)[C@@H]1[C@H]2[C@]1(C)CCC 2356738303 FDTBJAPFEAUWKP-LDCXIIFCSA-N 256.433 5.217 30 1 CKEF CCCCCCCCCCCCC/C=C/CCC(=O)O 78684432 OBNDIDKDLXSSCB-CCEZHUSRSA-N 282.468 6.109 30 1 CKEF C=C1CC[C@H]2C(C)(C)CCC[C@]2(C)[C@H]1CC/C(C)=C\CO 85599879 NERNKRPBSOBEHC-JCHRQXLOSA-N 290.491 5.504 30 1 CKEF C=C/C(C)=C/C[C@H]1C(=C)CC[C@H]2[C@@](C)(C=O)CCC[C@]12C 96927026 GBIAINFWNNBJAS-OCHVYMGISA-N 286.459 5.487 30 1 CKEF CCCCCCCCCC[C@]1(C)OC(O)=C(CC)C1=O 101412419 BQSBIKOQQJHJHR-KRWDZBQOSA-N 282.424 5.055 30 1 CKEF O=C(C1=C(O)/C(=C/c2cccs2)CCC1)c1ccccc1 473088572 IRYZXXOMISVGDB-WYMLVPIESA-N 296.391 5.010 30 1 CKEF C=C[C@]1(C)CC[C@]2(C)C3=CCC[C@](C)(CO)[C@H]3CC[C@H]2C1 2356560413 YQXKHENEQRLREB-UFHDJZAFSA-N 288.475 5.114 30 1 CKEF CCCCCCCCC[C@@H](CC)C1CCCCC1 85930117 ZDMYCNLANBQLOI-QGZVFWFLSA-N 252.486 6.734 30 1 CKEF endogenous,in-man C=C(C)C=CC[C@H](C)CCC[C@H](C)CCC[C@H](C)CC 2356380466 HPXTYQIQNKBSIK-HSALFYBXSA-N 278.524 7.168 30 1 CKEF C=C(C)C1=CC=C(C)CCC=C(C)C[C@H]2C=C(CC1)C(=O)O2 2356385240 KGUUUDYKWYRRMZ-IBGZPJMESA-N 298.426 5.197 30 1 CKEF CCCCCCCCC=CCCCCOC(C)=O 2356578828 IAGBQBDKOCVGCC-UHFFFAOYSA-N 254.414 5.027 30 1 CKEF C=CCCCCCCC[C@@H]1CC[C@H]2CCCC[C@@H](C)N12 14416387 NJYPILZTMPWERT-GUDVDZBRSA-N 277.496 5.699 30 1 CKEF C=C1C=C2C3(CCCC3)CC[C@H](C)[C@]2(C)[C@@H]2[C@H]1C2(C)C 2356372976 PUBDYWLCNINXPO-RMRDIRSESA-N 270.460 5.751 30 1 CKEF CC(C)=CC1=C2[C@@H](C)CC[C@]3(C#N)[C@@H](C)CC[C@H]([C@@H](C)C1)[C@@H]23 40894645 RZOWSZJNZPHIJY-XDBTUQKASA-N 297.486 5.891 30 1 CKEF CCCCCCCCCC/C=C/C#CCCCC(=O)O 86020602 DSZQZURPKJVVGY-VAWYXSNFSA-N 278.436 5.332 30 1 CKEF CCCCCCC/C=C\CCC/C=C/CCCC(=O)O 218143529 HRZZKTOXWMPYMT-NRSBDZSJSA-N 280.452 5.885 30 1 CKEF CCCCCCCC=C[C@H](C)CCCCCC(=O)OC 2356616045 QHHFZBWNINTCMY-KRWDZBQOSA-N 282.468 5.663 30 1 CKEF C=C(C)[C@@H]1CC[C@]2(C)[C@@H]1CCC(=C)[C@@H]1CC[C@@H](C)C[C@H]12 2356813921 BVVLUVMIZAWMHA-YJKDXWGCSA-N 272.476 5.997 30 1 CKEF C=CCCCCCCCCCCCCCCCC=O 5193257 MXCKZUNSOZSBPA-UHFFFAOYSA-N 266.469 6.223 30 1 CKEF biogenic C=C[C@](C)(CCO)[C@@H]1C(=C)CC[C@H]2C(C)(C)CCC[C@]21C 2356623375 FZKQLBVGTCCWMH-RAUXBKROSA-N 290.491 5.360 30 1 CKEF CCCCCCCC/C(C)=C\CCCCCCCC(=O)O 86051835 RAILQKVJWBNVSR-VLGSPTGOSA-N 296.495 6.499 30 1 CKEF CC[C@H](C)c1ccc2[nH]c(-c3cccc(F)c3)c(C#N)c2c1 587641441 IVNANCMQGYLYOP-LBPRGKRZSA-N 292.357 5.359 30 1 CKEF CC[C@H](C)c1ccc2[nH]c(C3CCCCC3)c(C#N)c2c1 587642431 LYIRUWSAKMDPRR-ZDUSSCGKSA-N 280.415 5.601 30 1 CKEF C=C1CCC=C(C)CC[C@@H]2[C@H]1C[C@]2(C)CC=CC(C)(C)O 2356682949 BLKYNXQZVZSPOH-NSHGMRRFSA-N 288.475 5.423 30 1 CKEF C=C[C@]1(C)CC[C@@]2(O1)[C@H](C)CC[C@H]1C(=C)[C@H](C)CC[C@@]12C 34250977 UUHUTIDTORHNMI-QXZHPCOKSA-N 288.475 5.519 30 1 CKEF C=C1CCC[C@H](C)CC[C@@H]2[C@@H]1C[C@@]2(C)C[C@@H](O)C=C(C)C 2356481533 SWVGUQAPYSRDOO-LFAQGZIKSA-N 290.491 5.502 30 1 CKEF O=C1/C(=C\c2cccs2)Sc2ccc3ccccc3c21 5185689 NYRSOTAWRKGABU-XNTDXEJSSA-N 294.400 5.231 30 3 CKEF aggregator CCCCCCCCCCCCCC[N+](C)(C)CCC 36177029 UOBWYWBNUXIGND-UHFFFAOYSA-N 284.552 6.174 30 1 CKEF C=C[C@]1(C)CC[C@@H]2C(=CC[C@H]3[C@@](C)(C=O)CCC[C@@]23C)C1 238745292 NLLZQKHFTCHPED-IVDHNXQLSA-N 286.459 5.321 30 1 CKEF CCCCCCCC/N=C1\C[C@H]2CC[C@]1(C)C2(C)C 1772629089 YZGWERQLSNEYAO-CIICKYDJSA-N 263.469 5.634 30 1 CKEF C=C1CC[C@@H]2[C@H]([C@H]3[C@@H]1CC[C@H]3C)[C@@]2(C)CCC=C(C)C 238760800 CEHLGENVDATDKI-PJBUMPDVSA-N 272.476 5.997 30 1 CKEF CC/C=C\C[C@@H]1O[C@H]1C/C=C\CCCCCCCCC 238763308 VKFUITAUPPZRKE-FLOHOPRXSA-N 278.480 6.197 30 1 CKEF Cc1cccc(-c2[nH]c3cc(Cl)c(F)cc3c2C#N)c1C 587631266 ZDMUUVVPNXWIRQ-UHFFFAOYSA-N 298.748 5.116 30 1 CKEF CCCCCCCCC=CCCCCCCCC 2356328786 HSNQNPCNYIJJHT-UHFFFAOYSA-N 252.486 7.044 30 1 CKEF C=CC(C)=C[C@@H](CC=Cc1ccc(OC)cc1)[C@@H]1OC1(C)C 2356698680 JVHUDTINIJAQHA-MJGOQNOKSA-N 298.426 5.024 30 1 CKEF C=CC(C)=CC[C@@H]1C(=C)[C@H](O)C[C@H]2C(C)(C)CCC[C@]12C 2356768893 UITXFWAOWQMNFN-FTEYMNFISA-N 288.475 5.278 30 1 CKEF CCCCCCCC[C@@H](CCC1=CCC=C1)C(=O)O 1911584452 UJBMUYSSGQJKRR-INIZCTEOSA-N 264.409 5.104 30 1 CKEF CCCCC[C@@H]1O[C@@H]1CC=CCCCCCCCC(=O)O 2356455647 CCPPLLJZDQAOHD-DLBZAZTESA-N 296.451 5.096 30 1 CKEF C=CC(=C)CC[C@H]1C(=C)[C@@H](O)C[C@H]2C(C)(C)CCC[C@@]21C 85994090 LIBAQKWIJQNKKO-CGBFIWBNSA-N 288.475 5.278 30 1 CKEF C=CC(C)(C)c1c[nH]c2cc(CC=C(C)C)ccc12 95486027 XKWNQRSHIRYHMA-UHFFFAOYSA-N 253.389 5.140 30 1 CKEF biogenic,in-vitro CC[C@@H](C)c1ccc2[nH]c(-c3ccc(C)cc3)c(C#N)c2c1 587643801 WZPDZTBYIKXCMT-CQSZACIVSA-N 288.394 5.529 30 1 CKEF CCC/C=C/CCCC/C=C/C(O)=N/CC(C)C 15146066 JNPRQUIWDVDHIT-GYIPPJPDSA-N 251.414 5.072 30 1 CKEF endogenous,in-man CCCCCCCCC/C=C/C=C/CCCCC(=O)O 100298790 CNKMVAJDUBKHMS-AQASXUMVSA-N 280.452 5.885 30 1 CKEF CCCCCC/C=C/CCCCCCCCCCC(=O)O 139225801 UZIIAZIXTSAEPN-BQYQJAHWSA-N 296.495 6.499 30 1 CKEF C=C[C@]1(C)CC[C@H]([C@](C)(O)C=CC=C(C)C)C[C@H]1C(=C)C 2356535579 DACQVPGYLJFRGU-VNTMZGSJSA-N 288.475 5.445 30 1 CKEF C=CCCCCCCC[C@@H]1O[C@@H]1C[C@@H]1O[C@H]1CC=CCC 2356552545 SZXGTAQNVDWRBM-CADBVGFASA-N 292.463 5.184 30 1 CKEF CC1=Cc2occ(C)c2C[C@@H]2[C@H](C)C=CC(=O)[C@]2(C)CCC1 2356599765 LHJBKKIYSPMWTO-WIBUTAKZSA-N 298.426 5.115 30 1 CKEF CCCCCCCCCC[C@@](C)(CC)CC(=O)O 102181104 JZQUUIPHTDDVNQ-MRXNPFEDSA-N 256.430 5.408 30 1 CKEF C=C(C)[C@@H]1CC(=O)[C@]2(C)C/C=C(\C)CC/C=C(\C)CC[C@@H]12 102807491 RNHJVFUOEQKJEA-OEMINUNOSA-N 286.459 5.631 30 1 CKEF CCCCCCCCCCC[C@@H](C(=O)O)C1CCCC1 197635865 CUSUHQDXXFSOQD-QGZVFWFLSA-N 282.468 5.798 30 1 CKEF C=C(C)[C@@H]1CC[C@]2(C)CC=C(C)CCC=C(C)CC[C@H]12 2356420720 KZHMFCYCMBPVGZ-ZCNNSNEGSA-N 272.476 6.452 30 1 CKEF C=C1CCC=C(C)CC[C@](C)(CC=CC(C)(C)O)[C@H]2C[C@H]12 2356584099 SPKCOCUHKUVJLN-HBFSDRIKSA-N 288.475 5.423 30 1 CKEF Cc1ccc(C(=O)/C=C/c2ccc3ccccc3c2)cc1 6338285 AGWHYYNFZNUUDE-UKTHLTGXSA-N 272.347 5.044 30 1 CKEF CCCCCCCCCC/C=C\C/C=C\C[C@H]1O[C@@H]1CC 169622822 JVTLYSCCWUIAHP-LPWMYSMBSA-N 292.507 6.587 30 1 CKEF C=C=CCC[C@H]1CC[C@H]2[C@H](CCCC=C)CCC[C@H]2N1 238786561 VVRBZUYQHINRQE-YDZRNGNQSA-N 273.464 5.001 30 1 CKEF C=C1C[C@]23CC[C@H]4C(C)(C)CCC[C@@]4(C)C2=CC[C@H]1C3 685935698 RUTQZFCOTBYTMG-FEHORTKBSA-N 270.460 5.896 30 1 CKEF biogenic,in-vitro C=CCCCCCCCC=CCC=CCC=CCC 2356494759 PVZVXAGKKBRWLN-UHFFFAOYSA-N 260.465 6.762 30 1 CKEF C#CC=CCCCC#CC=CCCCCCCCC=CC#C 2356554600 SNOQQKJRUJUFGR-UHFFFAOYSA-N 292.466 5.826 30 1 CKEF CC(C)=C[C@@H]1C[C@H](C)[C@H]2CC[C@](C)(C#N)[C@H]3CC=C(C)[C@@H]1[C@@H]32 40395593 SUQFWVZYUFDVKT-QJZPXWABSA-N 297.486 5.747 30 1 CKEF CCCCO/N=C(C)/C=C/[C@H]1C(C)=CCCC1(C)C 103202208 RZBLAEDHVXNGPL-CUBPFCQSSA-N 263.425 5.118 30 1 CKEF C=C(C)[C@@H]1CC[C@]2(C)CC=C(C)CCCC(CO)=CC[C@H]12 2356406787 GUBJHRKIQYMLSM-ZCNNSNEGSA-N 288.475 5.424 30 1 CKEF CCCCC[C@@H]1OC1=CC=CCCCCCCCC(=O)O 2356520074 ZFVKKBAQVWQQHP-INIZCTEOSA-N 294.435 5.221 30 1 CKEF CCCCCCCCCCn1cc[n+](C2CCCC2)c1 72112600 CUBGEUGWDFMDIW-UHFFFAOYSA-N 277.476 5.031 30 1 CKEF C=C/C(C)=C\C[C@H]1C(=C)CC[C@H]2[C@](C)(C=O)CCC[C@]12C 85994050 GBIAINFWNNBJAS-YLFQIVRVSA-N 286.459 5.487 30 1 CKEF CCCCCCCCCCCCCCC[C@@](C)(O)CO 102186245 UVWGPURJCQCTFD-GOSISDBHSA-N 286.500 5.211 30 1 CKEF C=C1CCC=C(C)CC[C@@H]2[C@H](C(=C)C)CC[C@]2(C)C[C@H]1O 2356486252 LHITWMVHFKXXCI-MTQWCTHYSA-N 288.475 5.423 30 1 CKEF C=C(C)CCC[C@H](C)C/C=C/C(C)=C/C(=O)OC(C)C 29309694 UQQSQCJAYOKFEW-GKTFYVHISA-N 278.436 5.213 30 1 CKEF C=C(C)CCC[C@@H](C)[C@@H]1CCC(=C)[C@@H]2CC=C(C)[C@H]2[C@@H]1O 85600650 CHHXDSRUXBXNQW-RBUQIHAASA-N 288.475 5.278 30 1 CKEF C=C(C)[C@H]1CC[C@]2(C)CC([C@H](C)CCC=O)=C(C)CC[C@@H]12 198866780 KIYQGIHXABMIHF-WSTLGDPDSA-N 288.475 5.711 30 1 CKEF C=C(C)[C@H]1CC[C@]2(C)CC3=C(C)CC[C@H](O)[C@@]3(C)CC[C@@H]12 238757291 JGIYJHKDKOUXGI-QVHQYWGISA-N 288.475 5.256 30 1 CKEF C=C(C)[C@@H]1CC=C(C)CCC=C(C)CCC=C(C)[C@H](O)C1 2356582945 CVITZXGTBCOBPR-WOJBJXKFSA-N 288.475 5.733 30 1 CKEF C=C(C)[C@@H]1CC/C(C)=C/CC/C(C)=C/CC/C(C)=C/[C@@H]1O 34250862 AZUVBPVDRHGGEP-FYPJZNKHSA-N 288.475 5.733 30 1 CKEF C#C/C=C\CCCCCCCCC/C=C\C#CC#CCC#C 238784491 IYLMQWZOJMUGLG-PBXQJHOKSA-N 290.450 5.273 30 1 CKEF C=C1CCC=C(C)CC[C@@H]2[C@H](C(=C)C)CC[C@]2(C)C[C@@H]1O 2356486255 LHITWMVHFKXXCI-ZGXWSNOMSA-N 288.475 5.423 30 1 CKEF C=C(CCCCCCC[C@H](C)CCCC(C)C)[C@@H](O)CO 2356536929 FBASPUBXIHUFOF-HKUYNNGSSA-N 298.511 5.089 30 1 CKEF C=C1CC[C@H]2C(C)(C)CCC[C@]2(C)[C@@H]1CC/C(C)=C/CO 34285982 NERNKRPBSOBEHC-HZEYQZKKSA-N 290.491 5.504 30 1 CKEF in-vitro C=C(C)[C@@H]1C/C=C(/C)CC/C=C(\C)CC/C=C(/C)CC1 238787714 VWSPQDDPRITBAM-DFCKSCQKSA-N 272.476 6.762 30 1 CKEF C=C(C)[C@H]1CC[C@]2(C)CC=C(C)CC[C@@H]3O[C@@]3(C)CC[C@@H]12 254013301 QYPBSHVQNJCZQA-DEPCRRQNSA-N 288.475 5.663 30 1 CKEF C=CCCCCCCCC1=N[C@H](CCCCC=C)CC1 13437561 JRNMZRPLKGPMHB-GOSISDBHSA-N 275.480 6.253 30 1 CKEF in-vivo C=C1C=C2C(=C(C)[C@@H]3CC=C(C)C[C@H]3[C@H]2C(C)C)CC1 2356654565 CBAMIIPKRBIWEN-SXLOBPIMSA-N 268.444 5.838 30 1 CKEF CCCCCCCCCC[C@@H](C)CCC[C@H](C)C(=O)O 102180689 AIJKUSCCAPFTGP-SJORKVTESA-N 284.484 6.044 30 1 CKEF C=C/C=C\C/C=C\C[C@@H]1O[C@H]1CCCCCCCCCC 148124308 BXFNNIGYLSZPIT-BCLVCFIRSA-N 290.491 6.363 30 1 CKEF C=C(C)[C@H]1CC[C@@]2(C)CC(CNC3CCCC3)=CC(C)=C2C1 2356363180 IJNLEYBKTGEKCP-RXVVDRJESA-N 299.502 5.548 30 1 CKEF CCCCCCCCCCCCCCCCC[C@H](C)CC 78318489 GZCXIMGMPAZPPM-OAQYLSRUSA-N 296.583 8.294 30 1 CKEF C=C(C)[C@H]1CC[C@]2(C)C[C@@H]3C(=C)CC[C@H](O)[C@@]3(C)CC[C@@H]12 144332027 WBWAXKFVGXKKMW-FGSPNWDHSA-N 288.475 5.112 30 1 CKEF CCCCCCCCCCC/C=C/C(=O)N1CCCC1 1857640865 BYUAJGYTVIPGJD-NTCAYCPXSA-N 279.468 5.086 30 1 CKEF CCCCCCCC[C@@H](CCC1CCCC1)C(=O)OC 1911579411 YGNDIVVBUFEMCZ-KRWDZBQOSA-N 282.468 5.497 30 1 CKEF C=C1CCC=C(C)CC=C2[C@H](C(C)C)CC[C@]2(C)C[C@H]1O 2356437223 LVJSJETVMXBUIN-DFQSSKMNSA-N 288.475 5.423 30 1 CKEF C=C[C@]1(C)CCC2=C(CC[C@H]3[C@@](C)(CO)CCC[C@]23C)C1 17214113 KVGUVNVWQKGXAA-MTQWCTHYSA-N 288.475 5.258 30 1 CKEF CCCCCCCCCCC[C@@H](C)CCCCC 86051431 RLXHXVUABXKBOE-SFHVURJKSA-N 254.502 7.124 30 1 CKEF endogenous,in-man CC1=CCCC(C)(C)[C@@H]1/C=C/C(C)=N/OCCC(C)C 103203621 PVNGFTGBTBRPCK-YENBADPJSA-N 277.452 5.364 30 1 CKEF C=C[C@]1(C)CC[C@H]2[C@@H](CC[C@H]3C(C)(C)CCC[C@@]32C)O1 238764409 JOTSQVNPXHLILH-HRAJDOBDSA-N 276.464 5.353 30 1 CKEF CCCCCCCCCC[C@H](C)/C=C(\C)C(=O)O 102180932 NPIJNQJBRSVMRD-MRPLLJTBSA-N 254.414 5.184 30 1 CKEF CCCCCCCCC/C=C\CC/C=C\CCCC(=O)O 169621962 JDWQYMIWIRVHMF-JPTBNZNUSA-N 294.479 6.275 30 1 CKEF CCCCCCC/C=C\C[C@@H]1O[C@H]1CCCCC 169622795 DZBUIPPAEPQLKL-TUEYOFOGSA-N 252.442 5.641 30 1 CKEF CCCCCCCCC[C@@H](C)Nc1ncnc2ccccc12 223755201 QINDYQSTDOKSEZ-MRXNPFEDSA-N 299.462 5.571 30 1 CKEF C=C=CCC[C@@H]1CC[C@@H]2[C@@H](CCCC=C)CCC[C@H]2N1 2356405526 VVRBZUYQHINRQE-WJFTUGDTSA-N 273.464 5.001 30 1 CKEF CCCCCCCCCCCC=CC=CC(=O)OC 2356410061 ACUIYXOOZPHRRA-UHFFFAOYSA-N 266.425 5.193 30 1 CKEF CC/C=C\C/C=C\C[C@H]1O[C@@H]1CCCCCCCCCC 238780889 XXOTXZKHNZSWSZ-HBDZWIOYSA-N 292.507 6.587 30 1 CKEF C=CC(C)=CC[C@@H]1C(=C)CC[C@@H]2[C@@](C)(CC)CCC[C@]12C 2356390320 YAYIOONAOTUZAZ-MXEMCNAFSA-N 286.503 6.698 30 1 CKEF C=C1CC[C@@H]2[C@H](C(=C)C)CC[C@@]2(C)[C@H]2C[C@@H](C)CC[C@@H]12 2356813920 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C=C(C)[C@@H]1CC[C@]2(C)CC3=C(C)CC[C@H](O)[C@]3(C)CC[C@@H]12 2356602698 JGIYJHKDKOUXGI-FLFBIERCSA-N 288.475 5.256 30 1 CKEF C=CC1(c2ccc3ccccc3c2)OCC(CC)(CC)CO1 1644413 IBYWAGIVTKMAET-UHFFFAOYSA-N 296.410 5.032 30 1 CKEF CC1=C(/C=C/C(=O)/C=C/c2cccc(F)c2)C(C)(C)CCC1 40829356 SZRGBQDTKAABRK-HULFFUFUSA-N 298.401 5.491 30 1 CKEF CCCCCC[C@@H]1CC[C@@H]2CC3=C(C)C(=O)C[C@@]31C2(C)C 85549755 HXHCKBVSAAHDMV-QINHECLXSA-N 288.475 5.689 30 1 CKEF biogenic,in-vitro C=C1CCC[C@]2(C)c3ccc(C(C)C)cc3CC[C@H]12 86047407 ZPQHNIHJSIZREW-MJGOQNOKSA-N 254.417 5.370 30 1 CKEF endogenous,in-man C=C1CC/C=C(/C)CC[C@](C)(CCC=C(C)C)[C@H]2C[C@H]12 135902688 SLLJXDWDIIKACA-QFAUKOMESA-N 272.476 6.452 30 1 CKEF CCCCCC#CO[C@@H]1C[C@H](C)CC[C@@H]1C(C)C 5782296 WNHSZEDZLLRHMD-BRWVUGGUSA-N 250.426 5.005 30 1 CKEF C=C1CC/C=C(\C)CC[C@@H]2[C@@H]1C[C@@]2(C)C[C@@H](O)C=C(C)C 139773065 LUOWJVIXKXXKJE-GGMKUIAASA-N 288.475 5.423 30 1 CKEF C=C1CC[C@@H]([C@H](C)CCC=C(C)C)C[C@@H]2C(C)=CC[C@@H]12 140447993 IJCCPQTZVUDNAV-GEALJGNFSA-N 272.476 6.308 30 1 CKEF C=C[C@]1(C)CC[C@@H](C(C)=CC=CC(C)(C)O)C[C@@H]1C(=C)C 2356427872 PGZCBHXBAUSEPY-QWFCFKBJSA-N 288.475 5.445 30 1 CKEF CCCCCCC=CCO[C@@H]1CC[C@H](CCCCC)O1 2356578421 RBUQQUQLIYFJPH-ROUUACIJSA-N 282.468 5.615 30 1 CKEF CCC(C)=CCCC(C)=CC[C@@H](C)[C@H](C)CC=O 2356626304 RXBWBMXVYZIXDB-IAGOWNOFSA-N 250.426 5.321 30 1 CKEF N#Cc1ccn2c(-c3ccccc3)c(-c3ccccc3)cc2c1 6582577 SRBISUSPVKNWPW-UHFFFAOYSA-N 294.357 5.145 30 1 CKEF C=C1CC[C@@H]2C(C)(C)CCC[C@@]2(C)[C@@H]1Cc1occc1C 15167752 CUFRQYVSJJHEKT-POAQFYNOSA-N 286.459 5.929 30 1 CKEF CC/C(C)=C\CC/C(C)=C/C[C@@H](C)[C@H](C)CC=O 59725493 RXBWBMXVYZIXDB-CGQBIICBSA-N 250.426 5.321 30 1 CKEF C#C/C=C\CCCC#CCCCCCCCCCCC#C 85831082 ODOHBJISRZXRAM-ALCCZGGFSA-N 282.471 5.884 30 1 CKEF CCCCCCCCC/C=C/CCCCCCCC(=O)O 114990661 YOKHLRHWEXTWJR-ZHACJKMWSA-N 296.495 6.499 30 1 CKEF CCCCCCC[C@@H](CCC1CCCCC1)C(=O)O 197635803 PHQGYGMOSFKQOP-INIZCTEOSA-N 268.441 5.408 30 1 CKEF CCCCCCCCCCCCCCC(=O)C=CC(=O)O 2356683805 DOCHQQOWHPNKAZ-UHFFFAOYSA-N 296.451 5.288 30 1 CKEF CCCCCCCCCCC[C@H](C)CCCC(=O)O 102181231 KISKSKWZPNLKCF-INIZCTEOSA-N 270.457 5.798 30 1 CKEF C=C(C)[C@@H]1CC=C(C)C[C@H]1c1c(O)cc(CCC)cc1O 238743780 ORIYPICUSOGUOA-JKSUJKDBSA-N 286.415 5.066 30 1 CKEF C=C[C@]1(C)C=C2CC[C@@H]3[C@](C)(OC)CCC[C@]3(C)[C@H]2CC1 2356485970 ZPUFEJHXXOGJTD-WKWVNEEDSA-N 288.475 5.520 30 1 CKEF CC1=C(/C=C/C(=O)/C=C/c2ccccc2F)C(C)(C)CCC1 40900506 YUJVQNFECKAFFQ-AQASXUMVSA-N 298.401 5.491 30 1 CKEF CCCCCCCCCCC/C=C\CCCC(=O)O 207556837 YBVKMYSATFEOME-SEYXRHQNSA-N 268.441 5.718 30 1 CKEF C=C(C)[C@@H]1/C=C/C(C)=C\C/C=C(\C)CC/C=C(\C)CC1 238783172 RLAFZRBJBUMWGN-JJDAXJIHSA-N 270.460 6.538 30 1 CKEF CC(C)C1=CC2=C(CC1)[C@@]1(C)CCC[C@](C)(C=O)[C@@H]1CC2 13301811 MDWQSNIQXHNTCK-XUVXKRRUSA-N 286.459 5.465 30 1 CKEF endogenous,in-man CCCCCCCC/C=C\C/C=C\C[C@H]1O[C@@H]1CC 169622812 YBICCWVMVPFDAY-ZKABYCTKSA-N 264.453 5.807 30 1 CKEF CCCCCCCCOc1ccc2c(Cl)ccnc2c1 1857567656 KSTICZVATYAIPS-UHFFFAOYSA-N 291.822 5.628 30 1 CKEF CCCCCCCC[C@H](CCC1CCCC1)C(=O)NC 1911571574 WGLWAJZFBCUGPG-QGZVFWFLSA-N 281.484 5.070 30 1 CKEF C=C1CCC=C(C)CC[C@@H](C(=C)CCC=C(C)C)C[C@H]1O 2356471592 ZQWAPPQJKIEPOV-WOJBJXKFSA-N 288.475 5.733 30 1 CKEF CCCCCCCCCCCCNCc1cccc(O)c1 44418321 NWEAUIOBGAAMKG-UHFFFAOYSA-N 291.479 5.403 30 1 CKEF C=C(C)C=CC=C(C)[C@@H]1CC[C@]2(C)C[C@@H]3O[C@]3(C)CC[C@H]12 2356389958 LVJASFIHCIIUER-PXTPFGJHSA-N 286.459 5.439 30 1 CKEF C=C1[C@@H](CO)CC[C@](C)(CCC=C(C)C)[C@H]1CC=C(C)C 14585276 FFKQEUQKRYAKMD-AABGKKOBSA-N 290.491 5.670 30 1 CKEF CCCCCCCCCCCCCCCc1ccco1 42809015 LSVQFJUSRLOULU-UHFFFAOYSA-N 278.480 6.913 30 1 CKEF endogenous,in-man C[C@@H]1C=CC(=O)[C@@]2(C)CC[C@@H]3[C@H]4C(C)(C)CC[C@@]4(C)C[C@@]132 59129263 VXFNKFSIMARUMG-YHUSEBDRSA-N 286.459 5.010 30 1 CKEF CCCCCCCC/C=C\[C@H](O)CCCCCCC(=O)O 59727625 JEXIZLHRWZNJIX-IFCKCIONSA-N 298.467 5.079 30 1 CKEF CC(=O)CC/C=C(\C)CCC/C(C)=C\C(=O)CC(C)C 101510893 WFIQWFJWGZPVFS-ZAYWLTRMSA-N 278.436 5.034 30 1 CKEF CC1=CCC2=CC[C@H](C(C)C)[C@]2(C)CC(=O)C(C)=CCC1 2356459881 CBNJKHFHKYZNCB-UYAOXDASSA-N 286.459 5.631 30 1 CKEF CCCCCCCCCC=CCCCc1ccc(O)cc1 2356711342 UHBRTPHHYOTILN-UHFFFAOYSA-N 288.475 6.412 30 1 CKEF CC/C=C\C/C=C\C/C=C\CCCCCCCCC 137076297 MWNTUKOYEZXHLL-JTBMWNAQSA-N 262.481 6.986 30 1 CKEF CC(C)c1ccc2c(c1)C(=O)C(O)=C1C(C)(C)CCC[C@@]12C 238789680 GDNBMVUBDYKYKJ-HXUWFJFHSA-N 298.426 5.286 30 1 CKEF C=C(CC=CC(C)C)CCC[C@@H](C)c1ccc(C)cc1 2356635788 KVCMFLFVCBKBMA-LJQANCHMSA-N 270.460 6.427 30 1 CKEF C=C1CC[C@@H](C(=C)C)[C@H]2C=C(C)C(=C)[C@]3(CC=C(C)C3=O)[C@H]12 2356767584 FFKQCWPUBBEZDH-QEUVDIPISA-N 294.438 5.183 30 1 CKEF CC(C)(C)c1ccc(C2CC2)c(N=Cc2ccccc2)c1 2356840797 MURSEQIKEURJPI-UHFFFAOYSA-N 277.411 5.612 30 1 CKEF [N-]=[N+]=NC1=C(c2ccccc2)C(=O)c2cccc3cccc1c23 3958412 JPYRTXRWUHGFIC-UHFFFAOYSA-N 297.317 5.215 30 1 CKEF CCCCCCCCCCCCC[C@@H]1CC[C@@H](CC)N1 73337122 DRZNECYKTJYDIR-RTBURBONSA-N 281.528 6.218 30 1 CKEF Cc1ccccc1C(=O)/C=C/c1ccc2ccccc2c1 299872040 ZTQRMJHREGUQKB-ACCUITESSA-N 272.347 5.044 30 1 CKEF C=C1CC2(CCCC2)[C@@H]2O[C@]2(C)CC[C@H]2[C@@H]1CC2(C)C 2356560436 SKACGHBFHPLYKX-KYHPRHEASA-N 274.448 5.107 30 1 CKEF CCCCCCCC/C=C/CCCCCC[C@@H](C)C(N)=O 43871507 NLSRYIUZWSRIPQ-DOJUMQAQSA-N 295.511 5.755 30 1 CKEF CCCCCCCC/C=C/CCCCCCCCCCC 100302012 NVBODECJSYHQIE-HTXNQAPBSA-N 294.567 8.214 30 1 CKEF CCCCCCCCC[C@@H](C)CI 140215320 RTWBFGUVCAVDFO-GFCCVEGCSA-N 296.236 5.198 30 1 CKEF in-vitro CC/C=C\C[C@@H]1O[C@@H]1C/C=C\CCCCCCCCCC 169622819 QBCBDINXYRUHGT-QEZHFABXSA-N 292.507 6.587 30 1 CKEF C=C1C[C@]2(C)CCC[C@]3(C)CC[C@H]4[C@@H]([C@H]1CC[C@H]4C)[C@@H]23 2356409793 SRSMHCPRTXUJJM-UOUQIJRISA-N 272.476 5.831 30 1 CKEF C=C(C)[C@@]1(O)CC=C(C)CCC=C(C)CCC=C(C)CC1 2356416014 FHZBFUJNSBTONS-HXUWFJFHSA-N 288.475 5.877 30 1 CKEF C=C[C@@](C)(O)CC/C=C(/C)CC/C=C(/C)CCC=C(C)C 14655008 IQDXAJNQKSIPGB-XWMGZXJBSA-N 290.491 6.123 30 1 CKEF endogenous,in-man CCCCCCCC/C=C\C[C@H]1O[C@@H]1CCCCC 149012802 COQRQSCRFMSUDY-WMGCDEKXSA-N 266.469 6.031 30 1 CKEF CC1=C(C[C@H](C)CCCC(C)C)C(=O)c2ccccc2C1=O 1857605601 OQVXYXSRUXEPFL-CQSZACIVSA-N 298.426 5.235 30 1 CKEF CCCCCCC=CCCCCCCCCCCC(=O)O 2356625661 UZIIAZIXTSAEPN-UHFFFAOYSA-N 296.495 6.499 30 1 CKEF C=CC[C@H](Nc1ccc(Cl)cc1)c1ccsc1 29058058 NZULPZJFDLJJCJ-AWEZNQCLSA-N 263.793 5.131 30 1 CKEF CCCCCCCCCCC[C@]1(C)SC(=O)[C@H](C)C1=O 53684939 ZRYCZUSBOKDGGM-PBHICJAKSA-N 298.492 5.145 30 1 CKEF C=C(C)C1=CC[C@@]2(C)CC=C(C)CCC=C(C)CC[C@@H]12 2356465302 NEIFYILNUITPRQ-VQTJNVASSA-N 270.460 6.372 30 1 CKEF CCCCCCCCCCCCCc1ccco1 8830704 LFPGJDSJDXWCIJ-UHFFFAOYSA-N 250.426 6.133 30 3 CKEF biogenic,in-vitro CCCCCCCCCCC[C@H]1O[C@@H]1CCCCC(=O)O 8437408 PVMIAUUBHIBDJY-IAGOWNOFSA-N 298.467 5.320 30 1 CKEF biogenic CC(C)C1=CC2=CC[C@@H]3[C@](C)(C=O)CCC[C@]3(C)[C@@H]2CC1 13301894 HOFSYSONRIGEAC-YSTOQKLRSA-N 286.459 5.321 30 1 CKEF endogenous,in-man CC(/C=C/C[C@@H](C)CCCC(C)C)=C\C(=O)CC(C)C 29309740 QVLXRBCKKLJKEV-DZGBGCPGSA-N 278.480 5.957 30 1 CKEF C#CCCCCCCC[C@H]1CC[C@H]2CCCC[C@@H](C)N12 39127738 JBGQTVGTHWMPST-CEXWTWQISA-N 275.480 5.146 30 1 CKEF CCCCCC/C=C\CCC/C=C/CCCCC(=O)O 102181913 RTJZUCGIUVBZCN-LQZWXTFHSA-N 280.452 5.885 30 1 CKEF CCCCCCCCCCCc1cc(O)cc(OC)c1 141693280 PGCYEKRDYMCFNF-UHFFFAOYSA-N 278.436 5.474 30 1 CKEF C=C(C)[C@H]1CC[C@]2(C)C/C=C(\C)CC[C@@H](O)/C(C)=C/C[C@@H]12 238786423 XLVICQJWBTVGFZ-AINCVZDKSA-N 288.475 5.423 30 1 CKEF C=C[C@@](C)(CCC=C(C)C)OCC=C(C)CCC=C(C)C 2356437186 JUVDBJVBQRAZOR-FQEVSTJZSA-N 290.491 6.387 30 1 CKEF C[C@]12CC[C@H](C#N)C[C@@H]1CC[C@@H]1[C@@H]2CC[C@@]2(C)CCC[C@H]12 2356711628 KLNWLDZOCLFNHL-MTZVGREISA-N 285.475 5.559 30 1 CKEF CC(C)=CCC[C@H]1CC[C@@H](C=O)[C@](C)(CCC=C(C)C)C1 95909821 BNZKPSOVNXOAIQ-SLFFLAALSA-N 290.491 6.101 30 1 CKEF biogenic,in-vitro C[C@@H]1C=CC(=O)[C@]2(C)CC[C@@H]3[C@@H]4C(C)(C)CC[C@]4(C)C[C@@]132 2356378757 VXFNKFSIMARUMG-AWPVFBCSSA-N 286.459 5.010 30 1 CKEF C=C1C[C@@]23CC[C@@H]4C(C)(C)C(=O)CC[C@]4(C)[C@@H]2CC[C@H]1C3 2356419799 DXBYXEPNCYWKNR-STNJDDFNSA-N 286.459 5.154 30 1 CKEF CC1=CCc2oc(cc2C)C(=O)C(C)=C[C@H]2[C@H](CC1)C2(C)C 2356516346 VDVPKUSTQHVPTA-HOTGVXAUSA-N 298.426 5.272 30 1 CKEF C=C1CC/C=C(\C)CC[C@H]2[C@H](C(=C)C)CC[C@]2(C)C[C@H]1O 141145855 LHITWMVHFKXXCI-JMFYYBADSA-N 288.475 5.423 30 1 CKEF C=C(C)C1=CC2=C(CC1)[C@@]1(C)CCC[C@](C)(C=O)[C@@H]1CC2 13301828 NIEZTTVUVNKESL-XUVXKRRUSA-N 284.443 5.385 30 1 CKEF C=CC(=C)CC[C@]1(C)[C@H](C)CC[C@]2(C)C(C)=CCC[C@@H]21 59066568 DTIVNEHSCKVQIB-UAFMIMERSA-N 272.476 6.308 30 1 CKEF in-vitro Cc1ccc(/N=C/C2=C(O)[C@@]3(C)CC[C@H]2C3(C)C)cc1C 101753046 HWEUQOHBSNQVGQ-AEPMIWHYSA-N 283.415 5.274 30 1 CKEF Cc1ccc(-c2[nH]c3ccc(F)c(Cl)c3c2C#N)c(C)c1 587629953 AOVIYUUUKXCCIT-UHFFFAOYSA-N 298.748 5.116 30 1 CKEF CCCCCCC=CCCCCCC(=O)OCC(C)C 2356664168 KXWOJQAKGDPEGA-UHFFFAOYSA-N 282.468 5.663 30 1 CKEF C=C[C@@]1(C)CC[C@H]2C(=CC[C@H]3C(C)(C)C(=O)CC[C@]23C)C1 32271856 YAXFLCDQLAZOPS-CPLUKWAASA-N 286.459 5.321 30 1 CKEF biogenic CCCCCC/C=C\CCCCCCC[C@H](O)CC(=O)O 59724718 VZZZAISMRNOEFX-QWPQOLDESA-N 298.467 5.079 30 1 CKEF C=C[C@@]1(C)CC[C@H](/C=C/C=C/C(C)(C)O)C[C@@H]1C(=C)C 199679253 QQDBPPOZJJEGCO-PKCXNWNUSA-N 274.448 5.054 30 1 CKEF C=C[C@@]1(C)CC[C@]2(C)[C@@H](CC=C3[C@H]2CCCC3(C)C)C1 238735551 BAIWMJSLFJWAQP-MFHCWRBVSA-N 272.476 6.142 30 1 CKEF C=C[C@@]1(CO)CCC2=C(CC[C@@H]3C(C)(C)CCC[C@]23C)C1 238770344 MMTGIQZFHVAIQV-MISYRCLQSA-N 288.475 5.258 30 1 CKEF C=C[C@]1(C)CC[C@H](C(C)=CC=CC(C)=O)C[C@@H]1C(=C)C 2356481016 ZPIGAWRLOACSCC-IPMKNSEASA-N 272.432 5.263 30 1 CKEF C=C1CCC=C(C)CC[C@@H](C(=C)C)CC=C(C)CC[C@H]1O 1857571985 LSODKMDOJJIXMC-WOJBJXKFSA-N 288.475 5.733 30 1 CKEF CCCCCCCCCCCCC/C=C/C(=O)N1CCC1 1857755547 CCKGTUNLLWIYKN-JQIJEIRASA-N 293.495 5.476 30 1 CKEF CCCCCCCCCC=CCC=CC[C@H]1O[C@@H]1CC 2356579570 BDTRZWQPTAKTIF-RTBURBONSA-N 278.480 6.197 30 1 CKEF C(=N\c1ccc(-c2ccccc2)cc1)\c1c[nH]c2ccccc12 1857757991 CVKRQIAIXXYTDH-HMAPJEAMSA-N 296.373 5.586 30 1 CKEF C=C1[C@H](C)CCC2=C(CCCC2)[C@@H]1c1cc(O)ccc1O 2356378200 ADRPXWNXORCWBK-CWTRNNRKSA-N 284.399 5.038 30 1 CKEF C=C[C@]1(C)CC[C@H](C=CC=CC(C)(C)O)C[C@@H]1C(=C)C 2356545873 QQDBPPOZJJEGCO-YQVWRLOYSA-N 274.448 5.054 30 1 CKEF C=C1CC[C@H]2[C@H]([C@H]3[C@@H]1CC[C@H]3C)[C@]2(C)CCC=C(C)C 143086059 CEHLGENVDATDKI-DAUOMPHXSA-N 272.476 5.997 30 1 CKEF C=C(C(C)C)[C@H](O)CC/C=C(\C)CCC=C(C)C 238780765 ZLWGOLLBNDIBMM-GSPCDJLXSA-N 250.426 5.032 30 1 CKEF CC#CCCCCCCCc1nc2cccc(Cl)c2[nH]1 587956661 JPTHYYSPPJIMDQ-UHFFFAOYSA-N 288.822 5.123 30 1 CKEF CC1=C[C@@H]2C[C@H](C)[C@@H]3CC[C@](C)(C#N)[C@@H]4CC[C@H]([C@@H]1C)[C@H]2[C@@H]34 2356357361 IBAYMLMAQMYLOI-LDXTZLFUSA-N 297.486 5.437 30 1 CKEF CCCCCCCCCCCCC=CC1=C[C@@H](C)OC1=O 2356494723 OWNIRRPVQFRFNQ-QGZVFWFLSA-N 292.463 5.725 30 1 CKEF CC1=CCC(=O)C(C)=C[C@@H]2[C@H](CCC(C)=CCC1)C2(C)C 2356496318 UJRRNBNNVPPTBX-ZWKOTPCHSA-N 286.459 5.631 30 1 CKEF C=N[C@]12CC[C@@H]3CC(C)(C)CC4=C3[C@@H]1[C@H](CC[C@H]2C)[C@@H](C)C4 2356487792 MJGARCQWDDVLGI-AHNSORNFSA-N 299.502 5.655 30 1 CKEF CCCCCCCCCC=CCCC=CCCCC(=O)O 2356597478 JDWQYMIWIRVHMF-UHFFFAOYSA-N 294.479 6.275 30 1 CKEF CCCCCCCCn1c2ccccc2c2ccc(O)cc21 72106458 YKLDNHOPFKEADH-UHFFFAOYSA-N 295.426 5.861 30 1 CKEF C=C(C)[C@@H]1CC[C@]2(C)[C@@H]1CC[C@]1(C)[C@H](O)C=C(C)CC[C@@H]12 238749634 LDMHPZOJOAGBAE-IOXPTURASA-N 288.475 5.112 30 1 CKEF C=N[C@]1(C)CC[C@@H]2[C@H](C)C[C@@H]3CC(C)(C)CC4=C3[C@H]2[C@H]1CC4 2356573202 DKRUHPGQOBAZBQ-AKNOUDDKSA-N 299.502 5.655 30 1 CKEF CCCCCCCC(=O)OCC=C(C)CCC=C(C)C 2356624567 YYBMOGCOPQVSLQ-UHFFFAOYSA-N 280.452 5.583 30 1 CKEF CC[C@H](C)c1ccc2[nH]c(-c3cc(C)oc3C)c(C#N)c2c1 587643767 WLLOSOJVUPQNSM-NSHDSACASA-N 292.382 5.430 30 1 CKEF C=C1CC[C@@H]2C(C)(C)CCC[C@]2(C)[C@@H]1CCC(C)=O 1866561 JUSMYQGXNCVARI-JFIYKMOQSA-N 262.437 5.154 30 1 CKEF biogenic CCCCCCC/C=C/[C@@H](O)CCCCCCCC(=O)O 85885944 UYTAXAWTQDKVBD-GWKQRERASA-N 298.467 5.079 30 1 CKEF C=CCc1cc(OCCC(C)C)ccc1OCCC(C)C 103286003 SLQBSMINPLKSIV-UHFFFAOYSA-N 290.447 5.265 30 1 CKEF Cc1sc(N/N=C2\CCC[C@H](C)C2)nc1-c1ccccc1 169330849 SYRPKNBLSMVAIF-OGAOFSLMSA-N 299.443 5.097 30 1 CKEF CCCCCCCCCCC/C=C/CC/C=C\C(=O)OC 205127042 JYFRESOMPCQSFW-ZOHXKJJCSA-N 294.479 5.973 30 1 CKEF C=C1CC[C@H]2C/C=C(\C)[C@@H](O)C/C=C(\C)CC[C@H]1C2(C)C 14695095 ZPONSJXVJQFQII-DUKYASEQSA-N 288.475 5.423 30 1 CKEF C=C1[C@@H](CC(=O)O)[C@H]1CCCCCCCCCCCC 42764321 ZXVOOMDIMGWKLA-DLBZAZTESA-N 280.452 5.574 30 1 CKEF CCCCCCC/C=C\c1[nH]c2ccccc2c(=O)c1C 80396628 DTHMJVVSQWVYNV-LCYFTJDESA-N 283.415 5.210 30 1 CKEF CCCCCC/C=C\CC(=O)CCCCCCCC(=O)O 238755636 XLGYOGUDSFUNBU-FLIBITNWSA-N 296.451 5.288 30 1 CKEF CCCCCCCC[C@@H]1[C@@H]2C=COc3cccc4c3[C@@H]2[C@@H]1C4 2356530041 ANMHTSXDCQBWAR-IIMDRIAPSA-N 296.454 5.845 30 1 CKEF C=CCCCCCCC[C@@H]1O[C@@H]1C[C@@H]1O[C@@H]1CC=CCC 2356552548 SZXGTAQNVDWRBM-YDZRNGNQSA-N 292.463 5.184 30 1 CKEF C=C1CCC=C(C)CC[C@@H]2[C@H]1C[C@@]2(C)CC=CC(C)(C)O 2356682948 BLKYNXQZVZSPOH-NLWGTHIKSA-N 288.475 5.423 30 1 CKEF CCCCCC/C=C/CCCCCCCC(C)=O 85478864 KZXNFRBVPGNOIW-CMDGGOBGSA-N 252.442 5.833 30 1 CKEF CC1=C2C[C@H]3CC[C@@H](C)[C@@]2(CC1=O)[C@]3(C)C1CCCCC1 2356351688 DCNBPHJBPGDXBN-SFNSOECISA-N 286.459 5.299 30 1 CKEF C/C1=C\CC(=O)/C(C)=C/[C@@H]2[C@H](CC/C(C)=C/CC1)C2(C)C 141201851 UJRRNBNNVPPTBX-ZSTRBXKSSA-N 286.459 5.631 30 1 CKEF C=C[C@@]1(C)CCC2=C(CC[C@@H]3[C@@](C)(CO)CCC[C@]23C)C1 17214110 KVGUVNVWQKGXAA-IYWMVGAKSA-N 288.475 5.258 30 1 CKEF C=CCCCCCCC[C@H]1CC[C@H]2CC[C@H](/C=C/C)N12 238776312 CZRRGBQGVWOIRS-TVQXDPPHSA-N 275.480 5.475 30 1 CKEF C=CCCCCCCCC=CCC=CCc1cccc(O)c1 2356641213 IXROXLNENZQWPQ-UHFFFAOYSA-N 298.470 6.354 30 1 CKEF C=C1CC[C@H]2[C@@]3(C)CCCC(C)(C)[C@H]3CC[C@]2(C)C[C@H]1O 2356755369 FVXFGAOOEQVNTJ-GNVJSZRZSA-N 290.491 5.336 30 1 CKEF CCCCCCCCCCC/C=C/C(=O)SC 56871196 MHZDERNCZPHMIQ-BUHFOSPRSA-N 256.455 5.353 30 1 CKEF C=C[C@@]1(C)CC[C@H]2C(=CC[C@@H]3[C@](C)(C=O)CCC[C@@]32C)C1 59066077 NLLZQKHFTCHPED-LJDSDSDDSA-N 286.459 5.321 30 1 CKEF in-vitro CCCCC/C=C/C/C=C\CC#CCCCCC(=O)O 85617517 UECZBRRJYAZMDX-KQHSAVHASA-N 276.420 5.108 30 1 CKEF C=C(C/C=C/C(C)C)CCC[C@@H](C)c1ccc(C)cc1 85644554 KVCMFLFVCBKBMA-ZLQZBKBYSA-N 270.460 6.427 30 1 CKEF endogenous,in-man CCCCCCCC[C@H](C)CCC[C@@H](C)C(=O)O 102180642 GZYWCKOFFXOPCO-LSDHHAIUSA-N 256.430 5.264 30 1 CKEF C=C[C@@H]1CC[C@H]2[C@H]3CCC4=CC(=O)C=C[C@]4(C)[C@@H]3CC[C@]12C 255222519 KFTYFBOHSUEIEJ-VNQADUSASA-N 296.454 5.097 30 1 CKEF Cc1cccc(/C=C2\CCC/C(=C\c3ccccc3)C2=O)c1 1857644671 CBJIHLVERIGOJZ-PXXPDPNMSA-N 288.390 5.215 30 1 CKEF CCCCCC=CCC=CCCCCCCCCCC 2356534456 ZXRQQYKZWAJTJO-UHFFFAOYSA-N 278.524 7.600 30 1 CKEF C=C(C)[C@@H]1CC[C@H](C)[C@@H]2CCC(=C)[C@@H]3CC[C@]3(C)C[C@@H]21 2356766998 KNENAWZGSAWZPV-OAUQMPPISA-N 272.476 5.997 30 1 CKEF Cc1cccc(/C=C/C(=O)c2cc(Cl)sc2Cl)c1 28824643 BOGYWZPNXUWAQQ-AATRIKPKSA-N 297.206 5.259 30 1 CKEF CCCCCCCCC/C=C/CC/C=C/CCCC(=O)O 86046651 JDWQYMIWIRVHMF-RICRECKTSA-N 294.479 6.275 30 1 CKEF C=C1C[C@@]23CC[C@@H]4[C@@](C)(C=O)CCC[C@@]4(C)[C@@H]2CC[C@@H]1C3 238739302 JCAVDWHQNFTFBW-DAUOMPHXSA-N 286.459 5.154 30 1 CKEF biogenic C=C1CC[C@H]2[C@](C)(CCC=C(C)C)CCC[C@]2(C)[C@H]1CO 14689271 JEBYWDIDBSVQGH-VNTMZGSJSA-N 290.491 5.504 30 1 CKEF CCCCCCC/C=C\C(=O)CCCCCCCC(=O)O 195767895 CCGQEYYMFYDMAX-KAMYIIQDSA-N 296.451 5.288 30 1 CKEF C=C(C)[C@@H]1CC[C@@]2(C)[C@H]3CCC(C)=CC[C@@]3(C)CC[C@H]12 238732966 FENGPFCAXVOXCJ-LJDSDSDDSA-N 272.476 6.142 30 1 CKEF CCCCCCCCC[C@@H]1CC[C@@H]2CC[C@H](CCC)N21 2356391097 PZNMQZIPMQQWKT-OTWHNJEPSA-N 279.512 5.923 30 1 CKEF CCCCCCCC#CCCCCCCCC(=O)O 102182216 OIDILZDVQSVDKF-UHFFFAOYSA-N 266.425 5.166 30 1 CKEF CC/C=C\C[C@H]1O[C@H]1C/C=C\CCCCCCCCCC 148872665 QBCBDINXYRUHGT-UIWVHOAUSA-N 292.507 6.587 30 1 CKEF CCCCCCCCCCc1ccc(C2=NCCO2)cc1 1772596949 WNYYSXNKYWRAQE-UHFFFAOYSA-N 287.447 5.147 30 1 CKEF CC(C)=C1CC[C@@]2(C)C(=O)/C=C(/C)CC/C=C(/C)CC[C@H]12 15146991 UPOREMYWIBIKTQ-DJIMEFRCSA-N 286.459 5.775 30 1 CKEF CC1=CC(=O)[C@]2(C)CCC(=C(C)C)[C@H]2CCC(C)=CCC1 253669702 UPOREMYWIBIKTQ-UYAOXDASSA-N 286.459 5.775 30 1 CKEF CCCCCCCCCCCCCC=CCCC(=O)O 2356432825 OBNDIDKDLXSSCB-UHFFFAOYSA-N 282.468 6.109 30 1 CKEF C=C(C)[C@@H]1CC=C(C)CC[C@H]2O[C@]2(C)CCC=C(C)CC1 2356442246 UMSZXWFPQXNYPW-XUVXKRRUSA-N 288.475 5.973 30 1 CKEF CCC=CC[C@@H]1O[C@@H]1CC=CCCCCCCC 2356478556 IRQMBAZFZUBVIJ-DLBZAZTESA-N 250.426 5.417 30 1 CKEF C=CC(C)=CC[C@@H]1C(=C)[C@H](O)C[C@@H]2C(C)(C)CCC[C@@]12C 2356768894 UITXFWAOWQMNFN-MLYOOKFZSA-N 288.475 5.278 30 1 CKEF C=C[C@]1(C)CC=C2[C@H](CC[C@H]3[C@](C)(CO)CCC[C@@]23C)C1 32090382 YSFNIVKHYKBKHI-XZEJUNMKSA-N 288.475 5.114 30 1 CKEF CCCCC#CCCCCCCCCCCC(=O)O 33822191 IBUAUJXYADRLIN-UHFFFAOYSA-N 266.425 5.166 30 1 CKEF CCCCCCCCCCCCC[C@H](C)CC(=O)OC 140972435 VTFOLAWZOSRSEZ-KRWDZBQOSA-N 284.484 5.887 30 1 CKEF CC(C)c1ccc(C(=O)/C=C/C=C/c2ccccc2)cc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in-vitro CCCCCCCC[C@@H]1[C@@H]2C=COc3cccc4c3[C@H]2[C@H]1C4 2356530042 ANMHTSXDCQBWAR-OEMYIYORSA-N 296.454 5.845 30 1 CKEF C=C1C=C[C@H](C(C)C)CCC(C)=CCCC(C)=CCC1 2356738728 VYWGLUCGRVXWKB-FQEVSTJZSA-N 272.476 6.618 30 1 CKEF CCCCCCCCCNc1ccc(-c2ccccc2)cc1 43640851 DTPIBVKUKNKMTD-UHFFFAOYSA-N 295.470 6.516 30 1 CKEF C=C(C)[C@H]1C/C=C(/C)CC/C=C(/C)CC/C=C(/C)CC1 85884023 VWSPQDDPRITBAM-JCFKDZSPSA-N 272.476 6.762 30 1 CKEF C=C(CCCCCCCC)CCCCCCCCC(=O)O 102181405 WLVDYCRJAOTRPO-UHFFFAOYSA-N 296.495 6.499 30 1 CKEF CC/C=C\C/C=C\C/C=C\CCCCCCCCCCC 169622593 KTTJXXJFKCTVBZ-JTBMWNAQSA-N 290.535 7.766 30 1 CKEF CC(C)=C1C=C2CC[C@@H]3[C@](C)(C=O)CCC[C@]3(C)[C@H]2CC1 59065807 JPCTZWFFRZZTMM-ZGXWSNOMSA-N 286.459 5.465 30 1 CKEF in-vitro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c1ccc(-c2[nH]c3ccc(F)c(Cl)c3c2C#N)cc1C 587630000 CTCGHZHREKKUPB-UHFFFAOYSA-N 298.748 5.116 30 1 CKEF C=C(C)[C@@H]1CC[C@]2(C)CC[C@H](C)[C@@]3(CC=C(C)CC3)[C@@H]12 2356342101 IIMQNFIZNZKEMW-HVTWWXFQSA-N 272.476 6.142 30 1 CKEF C=N[C@]12CC=C(C)[C@@H]3[C@H](C=C(C)C)C[C@H](C)[C@H](CC[C@H]1C)[C@H]32 2356432461 BBWZURJIVMADBA-ABFXUVFHSA-N 299.502 5.677 30 1 CKEF C=C[C@@](C)(CCO)[C@H]1C(=C)CC[C@H]2C(C)(C)CCC[C@@]21C 238738271 FZKQLBVGTCCWMH-HNJRGHQBSA-N 290.491 5.360 30 1 CKEF C=CC[C@]12C=CC(=NNc3ccccc3)C=C1CCCC2 2356699096 CJANUMQXLUDESZ-IBGZPJMESA-N 278.399 5.087 30 1 CKEF CCCCCCCCCCCCC[C@H]1CC(=O)O1 95554107 UCCQNGRDIUICDR-HNNXBMFYSA-N 254.414 5.003 30 1 CKEF C=C(C)[C@H]1CC=C(C)CCC=C(C)CC(=O)C[C@@H](C)CC1 2356484835 JIEJHFSIWZFZPM-OALUTQOASA-N 288.475 6.021 30 1 CKEF C=C(C)[C@H]1CC=C(C)CCC=C(C)CCC=C(C)[C@@H](O)C1 2356582942 CVITZXGTBCOBPR-PMACEKPBSA-N 288.475 5.733 30 1 CKEF C/C(=N\c1ccc(C)cc1C)c1sc2ccccc2c1O 19711756 UUZQHPBAQBDUTQ-CPNJWEJPSA-N 295.407 5.364 30 1 CKEF CC#Cc1ccc(C2SCC(C(C)(C)C)CS2)cc1 26579858 QJCQEAQHBMKTCT-UHFFFAOYSA-N 290.497 5.199 30 1 CKEF CCCCCCc1ccc(Oc2ccccc2C#N)c(O)c1 95921221 RPZKERMNVCALKE-UHFFFAOYSA-N 295.382 5.179 30 1 CKEF in-vitro C(=C/c1ccccc1)\C=N\c1ccc(-c2ccccc2)cc1 1857757732 DORMYNBUGIANAO-GXBURBJQSA-N 283.374 5.769 30 1 CKEF CCCCCCCN(CC)CCCCc1ccccc1 103242420 HDFVTYIXUIHWKL-UHFFFAOYSA-N 275.480 5.302 30 1 CKEF C[C@H](C#N)c1cccc(-c2nc3cc4ccccc4cc3[nH]2)c1 587187549 JAXKPJKGBGDSNC-CYBMUJFWSA-N 297.361 5.010 30 1 CKEF CCCCCCCCCC[C@@H](C(=O)O)[C@@H]1C=CCC1 1911582814 ZSWWRSUXBRFEJM-HZPDHXFCSA-N 266.425 5.184 30 1 CKEF C=CCCCCCC/C=C/CCCCCCCC=O 5193224 RXORHYFDDNAOQS-MDZDMXLPSA-N 264.453 5.999 30 1 CKEF biogenic,in-vitro CCN(CCC#CC(C)(C)C)Cc1cccc2ccccc12 5849874 YDVYBDQVROJWGB-UHFFFAOYSA-N 293.454 5.101 30 1 CKEF C=C[C@@]1(C)CC[C@H](/C(C)=C/C=C/C(C)=O)C[C@@H]1C(=C)C 139556731 ZPIGAWRLOACSCC-UPFPWVGRSA-N 272.432 5.263 30 1 CKEF CCCCCCCCCCC=Cc1ccc2c(c1)OCO2 2356460617 CXFWEZQTIXOIEV-UHFFFAOYSA-N 288.431 5.959 30 1 CKEF CCCCCCC=CC#CCCCCCCCC(=O)O 2356587711 VENIIVIRETXKSV-UHFFFAOYSA-N 278.436 5.332 30 1 CKEF C=C[C@]1(C)CC[C@@]2(C)[C@@H]3CC[C@@H](O)C(=C)[C@@]3(C)CC[C@@H]2C1 34457465 MCYODHVOZQYHEO-BZIXAJQCSA-N 288.475 5.112 30 1 CKEF CCCCCCC/C=C\C[C@H]1O[C@H]1CCCCC 169622794 DZBUIPPAEPQLKL-OFQNWOQMSA-N 252.442 5.641 30 1 CKEF C=C[C@H](O)CC[C@H]1C(=C)CC[C@@H]2C(C)(C)CCC[C@]12C 238733967 JKMAMXHNJFUAFT-IMBTUZDBSA-N 276.464 5.112 30 1 CKEF C=CCCCCCCCCc1nc2ccccc2s1 1857748887 AEQZXALHRLHRGD-UHFFFAOYSA-N 273.445 5.756 30 1 CKEF C=C1CC[C@@H]2[C@@H]3CCC4=CC(=O)CC[C@]4(C)[C@H]3CC[C@@]12C 2356712144 QXEURENTQIAFIS-WPVAHCMFSA-N 284.443 5.075 30 1 CKEF C=C(C)[C@H]1CC[C@]2(C)C[C@@H]3C(C)=CC[C@H](O)[C@@]3(C)CC[C@@H]12 141628069 JXGYRZRPPAXVHL-FGSPNWDHSA-N 288.475 5.112 30 1 CKEF C=C=CCCC1=CC[C@H]2[C@H](CCC[C@H]2CCCC=C)N1 2356432589 GDWPVZNEQABJMM-QRQLOZEOSA-N 271.448 5.126 30 1 CKEF C=C[C@](C)(O)CC[C@]12CCCC(C)(C)[C@@H]1CCC(C)(C)C2 71789439 HHYUUMKFNLVRCU-VDGAXYAQSA-N 292.507 5.726 30 1 CKEF CCCCCCCC[C@H](CCC1CCCCC1)C(=O)O 197635020 BPWFJTPZNRRAGU-QGZVFWFLSA-N 282.468 5.798 30 1 CKEF COc1ccc(Cl)cc1C#Cc1cccc(C(C)(C)C)c1 587904857 ZXLZYERPOBBSKP-UHFFFAOYSA-N 298.813 5.046 30 1 CKEF CCCCCCCCCCCC(C)=CCCCCC(=O)O 2356349560 HTBHLRKLTJJLGZ-UHFFFAOYSA-N 296.495 6.499 30 1 CKEF C=C1C=C2C3(CCCC3)CC[C@H](C)[C@]2(C)[C@H]2[C@@H]1C2(C)C 2356372977 PUBDYWLCNINXPO-RUENVJTFSA-N 270.460 5.751 30 1 CKEF C=C1CCC2=C3[C@H]1[C@H](C=C(C)C)C(=C)[C@H](C)[C@@H]3CC[C@@H]2C 2356791600 ITDOFYBZPNJDEE-IRYBIPSUSA-N 282.471 6.084 30 1 CKEF CCC(=O)[C@H](C)C(=O)C(C)=C[C@H](C)C[C@H](C)C[C@H](C)CC 2356801833 QWDKEBCUYIBBBK-ANQUJSFKSA-N 294.479 5.216 30 1 CKEF C=C[C@@]1(C)CC[C@H]2C[C@H]1C(C)=C[C@]2(C)C=CC=C(C)C 2356802428 SFKYZSKWSOFPBT-MUGJNUQGSA-N 270.460 6.084 30 1 CKEF CCCCC/C=C\C/C=C/CCCCCCC=O 15269713 JEBIMSVVDVTZIY-IXWMQOLASA-N 250.426 5.609 30 1 CKEF endogenous,in-man C=C1C[C@]2(C)[C@@H](CC)CC[C@H]2[C@@H]2CCc3cc(O)ccc3[C@@H]12 66262185 WVHKJQUMPZDSLX-NVYAHWSDSA-N 296.454 5.441 30 1 CKEF CCCCCCCCC[C@@H](O)CC[C@@H](C)CCC 86051510 OHRJXSIOKJTNKF-DLBZAZTESA-N 256.474 5.704 30 1 CKEF CCCCCCCCC(=O)OC[C@@H](C)CCCC(C)C 169622383 BLWHBJVGTIOHNE-KRWDZBQOSA-N 284.484 5.743 30 1 CKEF CCCCCCCC=CC[C@H]1CCC[C@@H]2CCCN12 2356770337 KUOHEKAUFRUGAR-ZWKOTPCHSA-N 263.469 5.310 30 1 CKEF CCCCCCCCC=CCCCCCCCCCC 2356799770 UVLKUUBSZXVVDZ-UHFFFAOYSA-N 280.540 7.824 30 1 CKEF CCCCCCCCCC[C@@H](CC)C(=O)CC(C)=O 85734149 UWJUDBRYYHRLAO-MRXNPFEDSA-N 268.441 5.092 30 1 CKEF CCCCCCC/C=C\CCC/C=C\CCCC(=O)O 218143378 HRZZKTOXWMPYMT-ZQQYBVFVSA-N 280.452 5.885 30 1 CKEF CCCCC=CCCCCCCCCCCCCC 2356330535 LHPVEDYVSCTZAY-UHFFFAOYSA-N 266.513 7.434 30 1 CKEF C=C(C)[C@@H]1CC[C@]2(C)C[C@@H]3[C@@]4(C)CC[C@@H](O4)[C@]3(C)CC[C@@H]12 2356393544 MTRVTLFGEXPTKZ-QHHOHCCESA-N 288.475 5.353 30 1 CKEF C=C(C)[C@H]1C/C=C(/C)CC/C=C(/C)CC/C=C(/C)C[C@H]1O 13384675 HTWXQGABXITTNW-UJWWTGQSSA-N 288.475 5.733 30 1 CKEF CCCCCCCCCCCCC/C=C/C=C\C(=O)O 100304795 ADHNUPOJJCKWRT-FZIQOSRTSA-N 280.452 5.885 30 1 CKEF C=C(C)[C@H]1C[C@@H](O)[C@]2(C)CC=C(C)CCC=C(C)CC[C@@H]12 254019620 YUHFWLZIGAFAIH-IYWMVGAKSA-N 288.475 5.423 30 1 CKEF CCC(CC)c1[nH]c2ccc([C@H](C)CC)cc2c1C#N 587642477 NXLKKCPFRHQTDH-GFCCVEGCSA-N 268.404 5.457 30 1 CKEF C=C[C@@](C)(/C=C/c1ccc(O)c(F)c1)CCC=C(C)C 29062708 NACQFLMMZVDSQQ-NCUBBLFSSA-N 274.379 5.483 30 1 CKEF C=C1C[C@]23CC[C@H]4[C@@](C)(C=O)CCC[C@@]4(C)[C@@H]2CC[C@@H]1C3 100780680 JCAVDWHQNFTFBW-YRIPFXIYSA-N 286.459 5.154 30 1 CKEF endogenous,in-man CCCCCCCCCCCCCC[C@@H](C)[C@@H](O)CO 102186255 KSEGTNVNTCGYOI-MSOLQXFVSA-N 286.500 5.067 30 1 CKEF C=C1C[C@]2(C)CCC[C@]3(C)CC[C@@H]4[C@H](C)CC[C@@H]1[C@@H]4[C@@H]23 2356409791 SRSMHCPRTXUJJM-LEZXFQPMSA-N 272.476 5.831 30 1 CKEF CCCCCCCCC=CCCC[C@@H]1CCC[C@@H](C)N1 2356510747 KGZVUZULXQDUBG-RTBURBONSA-N 279.512 5.994 30 1 CKEF CCCCCCC=CCCCCCCCCOC=O 2356618986 QABZUWDJJALYNR-UHFFFAOYSA-N 268.441 5.417 30 1 CKEF C=C(CCC=C(C)C)[C@H]1CC[C@]2(C)[C@@H](O)CC=C(C)[C@H]2C1 49802875 NJRDJVYVVKTPQA-YRPNKDGESA-N 288.475 5.423 30 1 CKEF CCCCCCCC[C@@H](CCC1CCCCC1)C(=O)O 197635006 BPWFJTPZNRRAGU-KRWDZBQOSA-N 282.468 5.798 30 1 CKEF C=C/C(C)=C/C[C@H]1C(=C)CC[C@@H]2C(C)(C)[C@H](O)CC[C@]12C 238735499 QSFSRHYSSAIFJK-FTLVCRCJSA-N 288.475 5.278 30 1 CKEF Cc1cc2c(cc1C(C)C)C(=O)C=C1C(C)(C)CCC[C@]12C 2356400791 KHVNYLNZVRZLMJ-NRFANRHFSA-N 296.454 5.709 30 1 CKEF C=C(C)[C@@H]1CCC=CCCC(C)=C(C)C[C@H](C(=C)C)C1 2356664943 OPYGHCIMUFZJNR-UXHICEINSA-N 272.476 6.618 30 1 CKEF C=C(C)[C@@H]1CC=C(C)CCC=C(C)CCC=C(C)C(=O)C1 2356669971 URWYQDPLXNWTTC-LJQANCHMSA-N 286.459 5.941 30 1 CKEF C=C1CC[C@@H]2C(C)(C)CCC[C@@]2(C)[C@H]1CC=C(C)CC=O 2356707214 KPYYUYXSRFDZHH-NSHGMRRFSA-N 288.475 5.711 30 1 CKEF C=C[C@]1(C)CC[C@@H]2C(=CC[C@@H]3C(C)(C)CC[C@@H](O)[C@@]23C)C1 2356752215 QSKBCOXQCVLBON-GNVJSZRZSA-N 288.475 5.112 30 1 CKEF CC1=Cc2occ(C)c2C[C@@H]2[C@H](C)C=CC(=O)[C@@]2(C)CCC1 2356599766 LHJBKKIYSPMWTO-ZTQAJYAQSA-N 298.426 5.115 30 1 CKEF CCCCCCCCC=C(C)CCCCCC(=O)O 2356438318 ALJOJLIRBPKVIG-UHFFFAOYSA-N 268.441 5.718 30 1 CKEF CCCCC=CCCCCCCCCCCCCCC=O 2356617573 JGYHJPQESLXOLQ-UHFFFAOYSA-N 294.523 7.003 30 1 CKEF C=C/C(C)=C\C[C@H]1C(=C)CC[C@@H]2[C@@](C)(C=O)CCC[C@]12C 238737362 GBIAINFWNNBJAS-IYKUUOBLSA-N 286.459 5.487 30 1 CKEF C=C(C)[C@H]1CCC(C)=CCCC(C)=CCCC(C)=C[C@@H]1O 2356485312 AZUVBPVDRHGGEP-UXHICEINSA-N 288.475 5.733 30 1 CKEF CCCCCCC/C=C/c1[nH]c2ccccc2c(=O)c1C 14243938 DTHMJVVSQWVYNV-UKTHLTGXSA-N 283.415 5.210 30 1 CKEF C=C1CCC[C@@]2(C)c3ccc(C(C)C)cc3CC[C@@H]12 85531041 ZPQHNIHJSIZREW-PKOBYXMFSA-N 254.417 5.370 30 1 CKEF endogenous,in-man C=C1C[C@]23CC[C@H]4[C@](C)(C=O)CCC[C@]4(C)[C@@H]2CC[C@@H]1C3 100780687 JCAVDWHQNFTFBW-HLXURNFRSA-N 286.459 5.154 30 1 CKEF endogenous,in-man CC(C)C1=CC2=CC[C@H]3[C@@](C)(CCC[C@@]3(C)C=O)[C@H]2CC1 104883839 HOFSYSONRIGEAC-YRPNKDGESA-N 286.459 5.321 30 1 CKEF endogenous,in-man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c1cc(O)ccc1O 2356378201 ADRPXWNXORCWBK-HXPMCKFVSA-N 284.399 5.038 30 1 CKEF C=CCCCCCC=CCC(=O)CCCCCC 2356413790 KMCMOPKLVWWDPS-UHFFFAOYSA-N 250.426 5.609 30 1 CKEF CCCCCCCCCCCCC[C@@H]1CC(=O)C=C(C)O1 2356790437 FONOWZGOSWFRBC-LJQANCHMSA-N 294.479 5.949 30 1 CKEF C=C(CC/C(C)=C/CC[C@@H](C)C1=CC=C(C)CC1)C(C)C 238742362 WQNXRHFVOVHSCC-CFIBSBMNSA-N 286.503 7.008 30 1 CKEF C=C1CC[C@H]2[C@](C)(CC[C@H]3[C@H](C(=C)C)CC[C@]32C)C[C@@H]1O 238761763 GCMRRPGBCMUUSN-GFLQDLJJSA-N 288.475 5.112 30 1 CKEF C=CC(=C)CC[C@@H]1C(=C)CC[C@@H]2C(C)(C)C[C@@H](O)C[C@]12C 2356381617 SPUFXXJOJKNNJI-SOAMZJECSA-N 288.475 5.278 30 1 CKEF CCC=CC[C@@H]1O[C@H]1CC=CCCCCCCCCC 2356438182 VKFUITAUPPZRKE-OALUTQOASA-N 278.480 6.197 30 1 CKEF C=C1CC[C@@H]2C(C)(C)CCC[C@]2(C)[C@H]1CCC(C)=CCO 2356634857 NERNKRPBSOBEHC-NLWGTHIKSA-N 290.491 5.504 30 1 CKEF C=C1CC[C@@]23[C@H]1[C@H]2[C@@H]([C@H](C)CC(=O)C=C(C)C)CC[C@H]3C 2356846218 OLHOFPKGLSAYBU-ABWGISGVSA-N 286.459 5.176 30 1 CKEF CCCCCCCCCCCCNC(=O)NC1CCCC1 36330547 MBJLPUTYJWDJOJ-UHFFFAOYSA-N 296.499 5.149 30 1 CKEF C=C1C[C@]23CC[C@@H]4[C@](C)(C=O)CCC[C@]4(C)[C@H]2CC[C@H]1C3 62236779 JCAVDWHQNFTFBW-XGXHKTLJSA-N 286.459 5.154 30 1 CKEF in-man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c1ccccc1-c1ccccc1 44146158 CLTPDJWVYAJEKC-UHFFFAOYSA-N 295.426 5.653 30 1 CKEF in-vivo C=C[C@@](C)(/C=C\c1ccc(O)c(O)c1)CCC=C(C)C 154463034 ZHKCOGVKHHAUBK-SIKDUDHDSA-N 272.388 5.050 30 1 CKEF C=C[C@@]1(C)CC[C@@H]2[C@@](O)(CC[C@H]3C(C)(C)CCC[C@]32C)C1 231412827 IYDAPILQPCDHTO-FLFBIERCSA-N 290.491 5.336 30 1 CKEF Cc1ccc(-c2[nH]c3cc(Cl)c(F)cc3c2C#N)c(C)c1 587631088 WZORLECIEYZVTE-UHFFFAOYSA-N 298.748 5.116 30 1 CKEF C=C[C@](C)(O)/C=C/C=C(\C)CC/C=C(\C)CCC=C(C)C 14654433 UQSDGXMRPDUPDJ-XSSSQQLFSA-N 288.475 5.899 30 1 CKEF CCCCCCCCCCCCCCNC(=S)S 146474447 YIJUFDDVDVZSSD-UHFFFAOYSA-N 289.554 5.492 30 1 CKEF C=C(C)[C@H]1CC[C@]2(C)CC=C(C)CCC=C(C)CC[C@@H]12 254016520 KZHMFCYCMBPVGZ-AABGKKOBSA-N 272.476 6.452 30 1 CKEF CCCCCCCCCC=CCC=CCCCCC(=O)O 2356438001 OGYGYFCAALCBSD-UHFFFAOYSA-N 294.479 6.275 30 1 CKEF C=C1CC[C@@H]2[C@](C)(C(=O)O)CCC[C@]2(C)[C@@H]1CCC(C)C 2356498631 YWNVUSYLDSLXLI-UKBAYJJMSA-N 292.463 5.286 30 1 CKEF CCC[C@H](C)C[C@H](C)C[C@@H](C)C=C(C)C(=O)CC 2356558100 LRJDUFSHRXSRLR-SOUVJXGZSA-N 252.442 5.400 30 1 CKEF C=CC(C)=C[C@H](CC=Cc1ccc(OC)cc1)[C@H]1OC1(C)C 2356698681 JVHUDTINIJAQHA-PKOBYXMFSA-N 298.426 5.024 30 1 CKEF CCCCCCCCCCC[C@H]1CC=C/C(=C/C(C)=O)O1 473111393 ZDOQVHVFJATDRW-ORKPOYISSA-N 292.463 5.725 30 1 CKEF CCCCCCCCCCCCCCC1=N[C@H](C)CCC1 1857645194 RYGCWZGFCRDVGU-LJQANCHMSA-N 293.539 7.091 30 1 CKEF CCCCCCC/C=C/CCCCCCCC(=O)OC 85832114 GTSDEAFDHYYGKM-MDZDMXLPSA-N 282.468 5.807 30 1 CKEF CCCCCCCCC/C=C\C/C=C\CCCCC(=O)O 238741302 OGYGYFCAALCBSD-XVTLYKPTSA-N 294.479 6.275 30 1 CKEF CC#CC#CC#C[C@@H](C)CCCCC[C@@H](C)CCC 85643852 VSDJUENZORPOJZ-RBUKOAKNSA-N 256.433 5.039 30 1 CKEF C=C1CCC[C@@]2(C)CC[C@@H](C(=C)CCC=C(C)C)C[C@H]12 2356416945 LOGCGPRBNXVHDX-AQNXPRMDSA-N 272.476 6.452 30 1 CKEF C=C(C)[C@H]1C=C(C(C)C)CCC(C)=CCC[C@H](C)CC1=O 2356432383 ZJQBKSBFISFIPH-PKOBYXMFSA-N 288.475 5.877 30 1 CKEF C[C@@]12CCC[C@H]1[C@@H]1CCc3cc(O)c(N=[N+]=[N-])cc3[C@H]1CC2 45354147 DQOVEBAVULNCGX-HRJSJKBJSA-N 297.402 5.580 30 1 CKEF CCCCCCCC[C@@H](C)[C@@]1(C)SC(O)=C(C)C1=O 101035118 CVCOQIQHGMKCAQ-MLGOLLRUSA-N 284.465 5.237 30 1 CKEF Cc1cccc2c(N=[N+]=[N-])nc(-c3cccs3)cc12 169353964 LIELTELQIMQLFL-UHFFFAOYSA-N 266.329 5.214 30 1 CKEF C=C[C@@]1(C)CC[C@H]2C(=CC[C@H]3C(C)(C)CCC[C@@]32C)[C@H]1O 238772714 HUJKSKVDJXBWQW-VBYALHQYSA-N 288.475 5.112 30 1 CKEF C=C1CCC=C(C)C[C@@H](O)C2=C(C)CC[C@@H](CC1)C2(C)C 253664590 BVJVBWNCZZIHMV-QZTJIDSGSA-N 288.475 5.567 30 1 CKEF CCCCCCCC=CCC[C@@H](C)CCCCC(=O)O 2356544290 KDCDZQJNCPPRMH-QGZVFWFLSA-N 282.468 5.964 30 1 CKEF CCCCCCCC=CC[C@H](O)CCCCCCC(=O)O 2356685708 BKCKYGZWELUHED-KRWDZBQOSA-N 298.467 5.079 30 1 CKEF CCCCCCCCC/C(C)=C/CCC(=O)OC 238749516 XUNSEKMKZUAZSC-FYWRMAATSA-N 254.414 5.027 30 1 CKEF C[C@@H]1CC[C@H](C(C)(C)S)c2nc3cccc4c3c(c21)CC4 587216551 FGZOHOWVCJOIGM-RISCZKNCSA-N 297.467 5.023 30 1 CKEF C=C(C)[C@@H]1CC[C@]2(C)C=C[C@@H](C)CCC=C(C)CC[C@H]12 2356504096 DQSHCYDPVQKJSC-HAGHYFMRSA-N 272.476 6.308 30 1 CKEF C=C1CC[C@@H]2[C@H]1[C@H]1[C@@H]([C@@H](C)CC(=O)CC(C)C)CC[C@@]21C 96086213 MJVREFNGXLSWKW-BSOGGFLPSA-N 288.475 5.256 30 1 CKEF in-vitro C=C(C)[C@@H]1CC[C@]2(C)C[C@H](O)/C(C)=C/CC/C(C)=C/C[C@@H]12 140196860 LREHNCVBQXWFSA-PNQYMJIISA-N 288.475 5.423 30 1 CKEF CCCCCC/C=C\CO[C@H]1CC[C@@H](CCCCC)O1 238772106 RBUQQUQLIYFJPH-CIAVUECRSA-N 282.468 5.615 30 1 CKEF C=C1CCCC(C)(C)[C@H]1CCC(C)=CC=CC(C)=O 2356387159 KEXFACKEWVXUJY-KRWDZBQOSA-N 260.421 5.241 30 1 CKEF C=CCCCCCCCCCCCCCCCC(C)C 85599375 MIFZKKJXDFCYRZ-UHFFFAOYSA-N 280.540 7.680 30 1 CKEF in-vitro CCCCCCCC/C=C/C=C\CCCCC(C)C 169622568 RFMGIWIKGFYQFJ-WCYNZMGESA-N 264.497 7.066 30 1 CKEF C=C[C@@H]1CC[C@@H]2[C@@H]3CC[C@]4(C=CC(=O)C=C4C)[C@@H]3CC[C@]12C 2356396777 WBURTZSEYTVSRX-IJNCOMJVSA-N 296.454 5.097 30 1 CKEF CCCCCCCCC[C@@H](C)OC(=O)CC(C)C 2356538479 FTEKFYMYZDEZOJ-OAHLLOKOSA-N 256.430 5.105 30 1 CKEF C=C(C)[C@H]1CC=C(C)CCC=C(C)CCC=C(C)[C@H](O)C1 2356582944 CVITZXGTBCOBPR-VQTJNVASSA-N 288.475 5.733 30 1 CKEF CCCCCCC=CC=CCC[C@@H]1CCCN1CC 2356761452 HYHSNERERATHEB-GOSISDBHSA-N 263.469 5.334 30 1 CKEF C=CCCCC[C@@H](C)CCCCCC#CCCCC(=O)O 14592576 QDFJJLKEXYAXFA-GOSISDBHSA-N 292.463 5.578 30 1 CKEF CCCC/C=C/C#CCCCCCCCCCC(=O)O 34572901 WHEVOQUCZMDNBG-AATRIKPKSA-N 278.436 5.332 30 1 CKEF CCCCCCCCCCCCCCCC(C)(C)C 78317784 VPFCOUMSFTYCMR-UHFFFAOYSA-N 268.529 7.514 30 1 CKEF C=C1C[C@]23CC[C@@H]4[C@@](C)(CCC[C@@]4(C)C=O)[C@@H]2CC[C@@H]1C3 100780682 JCAVDWHQNFTFBW-JZCOGDJRSA-N 286.459 5.154 30 1 CKEF endogenous,in-man CCCCCCCCCc1cc2c3c(cccc3n1)CC2 587214587 VBYGULLVMGQLJP-UHFFFAOYSA-N 281.443 5.627 30 1 CKEF C=C1CCC[C@]2(C)CC[C@@H](C(=C)CCC=C(C)C)C[C@H]12 2356416946 LOGCGPRBNXVHDX-VAMGGRTRSA-N 272.476 6.452 30 1 CKEF CCCCCCCC/C=C\CC#CCCCCC(=O)OC 238760661 JIPJVVIZTGWVIV-KHPPLWFESA-N 292.463 5.420 30 1 CKEF C=C[C@@]1(C)C=C2CC[C@@H]3[C@@](C)(CCC[C@@]3(C)CO)[C@@H]2CC1 238770421 JEOZUAHPKAVXSF-RMMWZPCPSA-N 288.475 5.114 30 1 CKEF C=C(C)[C@@H]1CC[C@]2(C)[C@@H]1CC[C@]1(C)CC(=O)C(C)=CC[C@H]12 238780566 DCHGRBFVASHMBH-APQLOABGSA-N 286.459 5.321 30 1 CKEF C=CCc1cccc(OCCCC)c1OCCC(C)C 103284719 YWDYGWFHMRTUBI-UHFFFAOYSA-N 276.420 5.019 30 1 CKEF CCCCCCC=CC=C[C@H]1CCC[C@@H]2CCCN12 2356408385 DQWGZHFKRYCJOQ-ZWKOTPCHSA-N 261.453 5.086 30 1 CKEF CCCCCCC/C=C\C[C@H]1CCC[C@@H]2CCCN12 43693316 KUOHEKAUFRUGAR-ICUWKNINSA-N 263.469 5.310 30 1 CKEF CCCCCCC#CCCCCCCCCCC(=O)O 64624353 GDRONPBCNLMFBT-UHFFFAOYSA-N 280.452 5.556 30 1 CKEF in-vitro C=C1CC/C=C(\C)CC[C@](C)(CCC=C(C)C)[C@H]2C[C@H]12 101690600 SLLJXDWDIIKACA-BSHNENNUSA-N 272.476 6.452 30 1 CKEF CCCCCCCCCCC/C=C/CC/C=C/C(=O)OC 205127078 JYFRESOMPCQSFW-WSPGMDLHSA-N 294.479 5.973 30 1 CKEF CCCCCCCCC[C@@H]1CC[C@H]2CC[C@H](CCC)N12 2356391094 PZNMQZIPMQQWKT-IPMKNSEASA-N 279.512 5.923 30 1 CKEF CC1=CC=C(C(C)C)CC[C@@]2(C)O[C@@H]2CCC(C)=CCC1 2356497951 DTXHLWUSJGTDSH-WOJBJXKFSA-N 288.475 5.973 30 1 CKEF CC(C)(C)c1ccc(-c2[nH]c3cccc(F)c3c2C#N)cc1 587634773 DVZLUYDNDRWOCG-UHFFFAOYSA-N 292.357 5.143 30 1 CKEF CCCCCCCCCCC/C=C\C=C\C(=O)OC 85836353 ACUIYXOOZPHRRA-DHEZTBRESA-N 266.425 5.193 30 1 CKEF endogenous,in-man C=C(CO)[C@H]1C/C=C(\C)CC/C=C(\C)CC/C=C(/C)CC1 207876452 MQZXPSOBCLRACA-QPRSWBNTSA-N 288.475 5.734 30 1 CKEF C=N[C@]1(C)CC[C@H]2[C@H]3[C@@H]1CC[C@@H](C)[C@@]3(C=CC(=C)C)C[C@H]2C 2356681737 FERSXRCCIOZICY-MVYRNHQGSA-N 299.502 5.677 30 1 CKEF CC(=C=CC(C)(C)C=Nc1ccccc1C)CCC=C(C)C 2356730120 JIOLRSCNUBFHEZ-UHFFFAOYSA-N 295.470 6.571 30 1 CKEF CCCCCCCCCCC/C=C\C/C=C\CC(=O)O 85431621 VMZIKKGYJROZNC-QGLGPCELSA-N 280.452 5.885 30 1 CKEF C=C1CCC[C@@H]2[C@]1(C)CC[C@H](C)[C@@]2(C)CC/C(C)=C/CO 238774533 YMTCQCWFYXOJRY-LZLHAIBVSA-N 290.491 5.504 30 1 CKEF CCCCCCCCCCc1cc2c3c(cccc3n1)CC2 587214289 RGAHURBRGUTFBB-UHFFFAOYSA-N 295.470 6.017 30 1 CKEF CCCCCCCCCCCCc1c(O)cc(C)oc1=O 1857745908 ICTJOQARUPAVAE-UHFFFAOYSA-N 294.435 5.117 30 1 CKEF C=C[C@]1(C)CC[C@]2(O1)[C@H](C)CC[C@@H]1C(C)(C)CCC[C@@]12C 2356340789 YFIVBYGSVFHTOP-ZJXIFLPPSA-N 290.491 5.743 30 1 CKEF CCCCCCCCCC[C@@H](C)C=C(C)C=CC(=O)O 2356413774 JYGBGHZWUDFYIP-MRXNPFEDSA-N 280.452 5.740 30 1 CKEF CCCCCCC/C=C\C[C@@H]1O[C@@H]1CCCCC 169622797 DZBUIPPAEPQLKL-IDPHKLQDSA-N 252.442 5.641 30 1 CKEF CCCCCCC/C=C/C/C=C/CCCCCCC 59162480 UDEIDXPHCLCOER-YTEMWHBBSA-N 264.497 7.210 30 1 CKEF C=CCCCCCCCCC(=O)c1coc2ccccc12 587280603 MIEZVVXZADFHGA-UHFFFAOYSA-N 284.399 5.922 30 1 CKEF [N-]=[N+]=Nc1c(-c2ccc(Cl)cc2)[nH]c2cccc(F)c12 587632360 ALTZIWHGPVZSFT-UHFFFAOYSA-N 286.697 5.569 30 1 CKEF CC(C)=C[C@@H]1C[C@H](C)[C@@H]2CC[C@](C)(C#N)[C@@H]3CC=C(C)[C@@H]1[C@H]23 2356358630 SUQFWVZYUFDVKT-VQGLPFKNSA-N 297.486 5.747 30 1 CKEF C=C[C@](C)(O)CC[C@H]1C(C)=CC[C@H]2C(C)(C)CCC[C@@]21C 40974519 YHUUQRPBUXILLV-QGZVKYPTSA-N 290.491 5.502 30 1 CKEF CCCCCCC[C@@]1(C)C=Cc2ccc(OC)cc2O1 43394296 KHZAPGBMXAQKQK-SFHVURJKSA-N 274.404 5.220 30 1 CKEF C=C[C@]1(C)CCC2=C(C1)[C@H](O)C[C@H]1C(C)(C)CCC[C@]21C 2356563729 BAKYAXFGNOBGHJ-PIKOESSRSA-N 288.475 5.256 30 1 CKEF CCCCCCC=CCC(=O)CCCCCCCC(=O)O 2356680159 XLGYOGUDSFUNBU-UHFFFAOYSA-N 296.451 5.288 30 1 CKEF C=CC(=C)CC[C@@H]1[C@H](C)CC[C@@H]2C(C)(C)C(=O)CC[C@@]21C 2356643350 QCUHDTWVHOLCIS-WOCWXWTJSA-N 288.475 5.567 30 1 CKEF C=C[C@@]1(C)CC[C@H]2[C@@]3(C)CCCC(C)(C)[C@@H]3CC[C@@]2(O)C1 231126186 IYDAPILQPCDHTO-CZKCSJLSSA-N 290.491 5.336 30 1 CKEF C=CCc1cccc2[nH]c(-c3ccc(CC)c(CC)c3)nc12 586879202 LWMZUPMUOJJDOG-UHFFFAOYSA-N 290.410 5.083 30 1 CKEF C=C1CCC[C@]2(C)CC[C@]3(O)[C@@H](C)CC[C@H](C(C)C)[C@H]3[C@H]12 1857612366 VJMPLXPIDRMPMX-APNJTCTJSA-N 290.491 5.192 30 1 CKEF C=C(C)C=CC=C(C)[C@@H]1CC[C@]2(C)C[C@@H]3O[C@@]3(C)CC[C@@H]12 2356389957 LVJASFIHCIIUER-FSGKZVOOSA-N 286.459 5.439 30 1 CKEF CC(C)=CCC[C@@H]1CC[C@@H](C=O)[C@@](C)(CCC=C(C)C)C1 2356642281 BNZKPSOVNXOAIQ-AABGKKOBSA-N 290.491 6.101 30 1 CKEF CCCCCCCCC=CCCCCCCC(=O)OC 2356479240 JCYKUMGSYHBRBQ-UHFFFAOYSA-N 282.468 5.807 30 1 CKEF CCCC/C=C\C=C/CCCCCCCCCC=O 59725605 YMRRHPHPVJAAPR-ISTTXYCBSA-N 264.453 5.999 30 1 CKEF CC[C@@H](C)c1ccc2[nH]c(-c3cccc(C#N)c3)c(C#N)c2c1 587640440 DKRQKESTTMZBLR-CYBMUJFWSA-N 299.377 5.092 30 1 CKEF C=C(C)[C@@H]1CC[C@]2(C)C=C[C@H](C)CC[C@@H]3O[C@@]3(C)CC[C@@H]12 2356796056 MTLRNGHCXWMGRJ-HLXURNFRSA-N 288.475 5.519 30 1 CKEF C=C(C)[C@H]1CC[C@]2(C)C/C=C(/C)CC/C=C(\C)CC[C@@H]12 85660462 KZHMFCYCMBPVGZ-KQVVSONPSA-N 272.476 6.452 30 1 CKEF CCCCCCCCC[C@H](C)CCC[C@H](C)[C@H](C)O 102186164 SVMAWHNAUKMUBF-BZSNNMDCSA-N 270.501 5.950 30 1 CKEF CC[C@H](C)c1ccc2[nH]c(-c3ccc(C)cc3)c(C#N)c2c1 587643800 WZPDZTBYIKXCMT-AWEZNQCLSA-N 288.394 5.529 30 1 CKEF C=C1CCC[C@H]2[C@]1(C)CC[C@H](C)[C@@]2(C)CC/C(C)=C/CO 26729334 YMTCQCWFYXOJRY-NURAXGIHSA-N 290.491 5.504 30 1 CKEF C=C[C@]1(C)CC[C@@H](C(C)=CCCC(=C)C)C[C@H]1C(=C)C 2356687090 DAGCNSBIYQRVRH-HSALFYBXSA-N 272.476 6.474 30 1 CKEF CCCCCCCCCCCC(=S)SCC(=O)O 44280426 QIJVJNZUTNQBOL-UHFFFAOYSA-N 290.494 5.053 30 1 CKEF N#Cc1ccc(-c2ccc(-c3ccccc3)s2)cc1F 1772600083 KJSSOJHLJYOMLS-UHFFFAOYSA-N 279.339 5.093 30 1 CKEF CCCCCCC=CCCCCCC=CCCC(=O)O 2356788729 CJRKVVFTDMYLGK-UHFFFAOYSA-N 280.452 5.885 30 1 CKEF C=C[C@]1(C)CC[C@@H](C(=C)CC(=O)C=C(C)C)C[C@@H]1C(=C)C 2356799576 UOXRXNFHRLNICX-MISYRCLQSA-N 286.459 5.653 30 1 CKEF C=C[C@@](C)(O)CC[C@@]1(C)[C@H](C)CC[C@@]2(C)C(C)=CCC[C@H]12 13401825 YBDUXZKWDIUNSG-RMMWZPCPSA-N 290.491 5.502 30 1 CKEF in-man CCCCCCCCCCC/C=C\CCCCC(N)=O 43285465 AWIZWICJDMFGHV-SEYXRHQNSA-N 281.484 5.509 30 1 CKEF CCCCCCCCCCCCCCC(=O)CC(=O)O 102184419 YJFOWGUVQLQGRL-UHFFFAOYSA-N 284.440 5.121 30 1 CKEF CCCCCCCN(CC)CC#CCCc1ccc(C)cc1 103242469 IDPOUPRRNBWNGY-UHFFFAOYSA-N 299.502 5.223 30 1 CKEF CCCCCCCCCCC/C=C/CCC(=O)O 85836517 OXGMPGKZDZPDIF-OUKQBFOZSA-N 254.414 5.328 30 1 CKEF C=C[C@]1(C)C=C2CC[C@H]3C(C)(C)CCC[C@]3(C)[C@H]2[C@H](O)C1 96927024 XRBKENSBHAHCBU-DSJDWBEOSA-N 288.475 5.112 30 1 CKEF CC[C@H](C)c1ccc2[nH]c(C)c([C@H]3[C@@H](CC#N)C3(C)C)c2c1 587642434 LYMVWMJMHCIFTQ-JOKNJTHLSA-N 294.442 5.643 30 1 CKEF C=CC(=O)CCC=CCC=CCC=CCC=CCC 2356306722 IVDMCRPNDZNGKM-UHFFFAOYSA-N 258.405 5.327 30 1 CKEF CCCCCCCCc1ccc(Oc2ccccc2)c(O)c1 14961116 JOWYBLIPWAMIHM-UHFFFAOYSA-N 298.426 6.088 30 1 CKEF in-vivo CCCCCCC/C=C/c1cc(=O)c2ccccc2n1CC 71295703 RBAGHSTXZBGDFN-JLHYYAGUSA-N 297.442 5.395 30 1 CKEF CCCCCCCCCCCc1cccc(O)c1O 100111138 LSOWJXYTQNMRAE-UHFFFAOYSA-N 264.409 5.171 30 1 CKEF C=C[C@]1(C)CC[C@@H]2C(=CC[C@H]3[C@@]2(C)CCC[C@@]3(C)C=O)C1 238757106 NLLZQKHFTCHPED-UEDWAMCQSA-N 286.459 5.321 30 1 CKEF C=C(C)C=C[C@]12C[C@H](C)[C@@H]3CC[C@](C)(C#N)[C@H](CC[C@H]1C)[C@@H]32 2356337231 SSFDJDHBZVHNKM-KXUZYRSSSA-N 297.486 5.747 30 1 CKEF C=C[C@]1(C)CC[C@]2(C)C3=C(CC[C@H]2C1)C(C)(C)CCC3 2356575017 XLQFULDKFPTYLT-BEVDRBHNSA-N 272.476 6.286 30 1 CKEF CCCCCCCCCCCC=CCCC=CC(=O)OC 2356634583 JYFRESOMPCQSFW-UHFFFAOYSA-N 294.479 5.973 30 1 CKEF C=C1CCC[C@]2(C)CCC3=C(C(C)C)CC[C@@]3(C)C[C@@]12O 2356800062 PQDZIRVUXXLAJU-XUVXKRRUSA-N 288.475 5.401 30 1 CKEF C=C[C@]1(C)CC[C@H]2C[C@H]1C(C)=C[C@]2(C)C=CC=C(C)C 2356802426 SFKYZSKWSOFPBT-HAGHYFMRSA-N 270.460 6.084 30 1 CKEF C#CCCCCCCC[C@@H]1CC[C@H]2CCCC[C@H](C)N12 14416385 JBGQTVGTHWMPST-IPMKNSEASA-N 275.480 5.146 30 1 CKEF C=C[C@H]1CC[C@H]2[C@@H]3CCc4cc(O)ccc4[C@@H]3CC[C@@]21C 14615385 CQAJPFMQZHVEQK-LXPIXPORSA-N 282.427 5.051 30 1 CKEF C=C(C)[C@H]1CC[C@]2(C)C(=C(C)C=C3CC[C@H]4CC[C@]32C4)C1 2356437912 MCMWKWRONDAWIK-PZBISTMVSA-N 282.471 6.206 30 1 CKEF CCCCCCCCCCCCCC[C@@H]1CCCN1C 85922551 NCSCAOYXUUEXIP-LJQANCHMSA-N 281.528 6.172 30 1 CKEF CCCCCCCCCCCCC/C=C/c1ccco1 86040461 MAGFAZWZYBRMGQ-JQIJEIRASA-N 276.464 6.994 30 1 CKEF CC1=C2C[C@H]3CC[C@H](C)[C@@]2(CC1=O)[C@@]3(C)C1CCCCC1 2356351687 DCNBPHJBPGDXBN-LVFOSTPZSA-N 286.459 5.299 30 1 CKEF C=C(CCC=C(C)C)[C@@H](CO)CC=C(C)CCC=C(C)C 2356576278 UYEUBWIEHVSTMC-HXUWFJFHSA-N 290.491 5.980 30 1 CKEF CC(C)=CC1=C2[C@@H]3[C@H](CC[C@@H](C)[C@@]3(C#N)CC[C@H]2C)[C@@H](C)C1 2356751560 RZOWSZJNZPHIJY-QONQLXJKSA-N 297.486 5.891 30 1 CKEF C=C[C@]1(C)CC[C@@]2(C)[C@@H]3C=CC(=O)C(=C)[C@]3(C)CC[C@@H]2C1 2356794935 IFQOXYBOGBKXMZ-RACLHMPKSA-N 284.443 5.097 30 1 CKEF C=C(CO)[C@H]1C/C=C(\C)CC/C=C(/C)CC/C=C(/C)CC1 5132426 MQZXPSOBCLRACA-TWESWTELSA-N 288.475 5.734 30 1 CKEF CCCCCCCCCCCCCC[C@@H](CC)C(C)=O 85734216 AMDIPZGBYHWZOW-LJQANCHMSA-N 282.512 6.693 30 1 CKEF C=C/C(C)=C\C[C@H]1C(=C)CC[C@H]2[C@@](C)(CC)CCC[C@]12C 238735468 YAYIOONAOTUZAZ-SVEYIRQMSA-N 286.503 6.698 30 1 CKEF 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CC=C1CC[C@H]2[C@@H]3CCC4=CC(=O)CC[C@]4(C)[C@H]3CC[C@]12C 1911573233 JFGNAYZCSHYUJF-FCMAGTKHSA-N 298.470 5.465 30 1 CKEF CCCCCCCCCCC[C@@H]1CC=CC(=CC(C)=O)O1 2356333997 ZDOQVHVFJATDRW-GOSISDBHSA-N 292.463 5.725 30 1 CKEF C=C[C@]1(C)C=C2C[C@H](O)[C@H]3C(C)(C)CCC[C@]3(C)[C@H]2CC1 33832417 ISJKCFIDNXQWFE-VDWQKOAOSA-N 288.475 5.112 30 1 CKEF biogenic,in-vitro CCCCCCCC/C=C/C(=O)CCCCCCC(=O)O 44404611 PHIXKQDGLSTYQU-SDNWHVSQSA-N 296.451 5.288 30 1 CKEF C=C(C)[C@H]1CC[C@]2(C)C[C@@H]3O[C@@]3(C)CCC=C(C)CC[C@@H]12 254015182 DAWVJYSOOMMDRV-CXQPBAHBSA-N 288.475 5.663 30 1 CKEF CCCCCCC[C@H](C)CCC[C@@H](C)CCCC 85644010 MSCAXABCKPATMC-ROUUACIJSA-N 254.502 6.980 30 1 CKEF CCCCCCCCCCCCC[C@H](COC)OCC 136682610 IEBFKMCVLFMDFP-GOSISDBHSA-N 286.500 5.739 30 1 CKEF CCCCCCC/C=C/C=C/CCCCCCCC(=O)O 199906750 MOIMCLVISGTLEK-BNFZFUHLSA-N 294.479 6.275 30 1 CKEF C=C(C)C=CC=C(C)[C@@H]1CC[C@]2(C)CC(=O)[C@H](C)CC[C@H]12 2356635993 RONXCTFPFNBKGV-AJYBTWMASA-N 286.459 5.487 30 1 CKEF 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2356378199 ADRPXWNXORCWBK-BLVKFPJESA-N 284.399 5.038 30 1 CKEF C=CC(C)=CC[C@@H]1C(=C)CC[C@@H]2C(C)(C)CCC[C@]12C 2356425992 VJVMMXUPZGOBSN-QWFCFKBJSA-N 272.476 6.308 30 1 CKEF CCCCCCCCCCCC=CCCC(=O)O 2356491764 OXGMPGKZDZPDIF-UHFFFAOYSA-N 254.414 5.328 30 1 CKEF C=C[C@]1(C)C=C2C(=O)C[C@H]3C(C)(C)CCC[C@]3(C)[C@H]2CC1 85946868 IOLISJPAURJPID-LWCVALJOSA-N 286.459 5.321 30 1 CKEF biogenic,in-vitro C=C1C[C@]2(C)CCC[C@]3(C)CC[C@@H]4[C@H](C)CC[C@@H]1[C@@H]4[C@H]23 2356409794 SRSMHCPRTXUJJM-WRUREIOSSA-N 272.476 5.831 30 1 CKEF CC(C)=C[C@@H]1C[C@H](C)[C@@H]2CC[C@](C)(C#N)[C@@H]3CCC(C)=C1[C@@H]23 2356333469 RBUNFUSZHCJPFL-LMPAGSGNSA-N 297.486 5.891 30 1 CKEF C=CCCCCCCC[C@H]1CCC(CCCCC=C)=N1 31458907 SRWLGXNIPQLEEZ-IBGZPJMESA-N 275.480 6.253 30 1 CKEF C=C(C)[C@@H]1C/C=C(\C)CC/C=C(\C)CC/C=C(/C)CC1 136018290 VWSPQDDPRITBAM-PUTNJUNQSA-N 272.476 6.762 30 1 CKEF C=C(C)[C@H]1CC/C(C)=C\CC/C(C)=C/CC/C(C)=C/[C@H]1O 137169289 AZUVBPVDRHGGEP-MNJKPZLLSA-N 288.475 5.733 30 1 CKEF CC/C=C/C/C=C\C/C=C\CCCCCCCCC 169622544 MWNTUKOYEZXHLL-UYKONYGJSA-N 262.481 6.986 30 1 CKEF CCCCCCCC/C=C\C[C@H]1O[C@H]1CCCCC 169622807 COQRQSCRFMSUDY-BKQMNKEASA-N 266.469 6.031 30 1 CKEF Cl/C(=N\Nc1ccccc1)c1ccc(Cl)cc1Cl 27619370 PYCKMJHPDJJXNS-AQTBWJFISA-N 299.588 5.006 30 1 CKEF C=C[C@H]1CC[C@H]2[C@@H]3CC[C@H]4CC(=O)C=C[C@]4(C)[C@H]3CC[C@@]21C 38855584 JIFKGXKDITUDPD-PMJYHDSJSA-N 298.470 5.176 30 1 CKEF C=C1CC[C@H]2C(C)(C)CCC[C@]2(C)[C@H]1/C=C/C(C)=C\C 238749448 SYAHDJQSGXVSDM-JGBQSYKCSA-N 272.476 6.308 30 1 CKEF CC[C@@H](C)c1ccc2[nH]c(-c3ccccc3C)c(C#N)c2c1 587643974 ZRRILSVJRPNHSN-CYBMUJFWSA-N 288.394 5.529 30 1 CKEF CCCCCCCCC=CCCCCCCC=O 2356577858 UZXKSNXOPFPOKK-UHFFFAOYSA-N 252.442 5.833 30 1 CKEF C=CCCCCCCCCCCC[C@H]1CC[C@@H](CC)N1 5810936 PXXOCCKIKHYKDO-MOPGFXCFSA-N 279.512 5.994 30 1 CKEF C=C1CC[C@H]([C@@H](C)CCC=C(C)C)[C@H]2C=C(C)CC[C@H]12 59779366 JMUSJUUKPWCCDS-NBYUQASBSA-N 272.476 6.308 30 1 CKEF C=C1CCC[C@@H]2[C@]1(C)CC[C@H](C)[C@@]2(C)C=C[C@H](C)C(=O)O 2356580915 DXFPQBDIPIWBAL-MUMMTRGTSA-N 290.447 5.062 30 1 CKEF C=C1C[C@]23CC[C@@H]4C(C)(C)CCC[C@]4(C)[C@H]2CC[C@H]1C3 40163579 ONVABDHFQKWOSV-NIMBFUQJSA-N 272.476 5.975 30 1 CKEF biogenic,in-man CCCCCCCN=c1ccn(CCCCCCC)cc1 43009536 JZNVYWUIVFAVNF-UHFFFAOYSA-N 290.495 5.330 30 1 CKEF CCCCCCCCCC[n+]1c(C)sc2ccccc21 96928483 WQKXCFJSGZWHPJ-UHFFFAOYSA-N 290.496 5.638 30 1 CKEF CCCCCCCCCC/C=C\CCCCCC(N)=O 43279056 UNLZURJISCUXHD-QXMHVHEDSA-N 281.484 5.509 30 1 CKEF CC(C)=CCC/C(C)=C/CC/C(C)=C/CSCC=O 142305999 KKHARRSDXDLUEB-BTMZFSHUSA-N 280.477 5.338 30 1 CKEF C=C/C(C)=C\CCCCCCCCCCCCCCC 238760757 VHGBWHGICRTHIQ-VXPUYCOJSA-N 278.524 7.600 30 1 CKEF CCCCCCCCC/C=C/C=C/C(=O)NCC(C)C 85922318 AGJAUFUNZWHLKE-SQIWNDBBSA-N 279.468 5.012 30 1 CKEF biogenic,in-vitro CCCCCCCCCCC[C@@H](CCC)C(=O)O 102181095 HHBIYJMJDKRUCS-OAHLLOKOSA-N 256.430 5.408 30 1 CKEF CCC(CC)=NNc1nc(-c2ccc(Cl)cc2)cs1 103262785 BBBJVDHTFBTAHL-UHFFFAOYSA-N 293.823 5.051 30 1 CKEF in-vitro CCCCCCC/C=C\C=C/C=C\C=C\CCC(=O)O 238758562 PORPGKSIWVNTJC-KBQRSDMBSA-N 276.420 5.437 30 1 CKEF C=C1CCC[C@H](C)CC[C@]2(C)CC[C@H](C(C)(C)O)[C@H]2CC1 2356329833 MPQZYYFISKOFRL-PNYFIKQUSA-N 292.507 5.726 30 1 CKEF C=C[C@]1(C)CC[C@H](C(=C)CC(=O)C=C(C)C)C[C@H]1C(=C)C 2356799577 UOXRXNFHRLNICX-YSIASYRMSA-N 286.459 5.653 30 1 CKEF CC1=C(/C=C/C(=O)/C=C/c2ccc(F)cc2)C(C)(C)CCC1 40898749 CWXSUUAEFSOEDF-OWKCIBLPSA-N 298.401 5.491 30 1 CKEF CCCCCCCCCCCCCCC[C@@H](O)[C@H](C)O 86050935 QUADQLCGKXETIS-ZWKOTPCHSA-N 286.500 5.209 30 1 CKEF C=C(C)[C@H]1CC[C@]2(C)C/C=C(/C)CC/C=C(/C)CC[C@H]12 95910806 KZHMFCYCMBPVGZ-GQKCNJLPSA-N 272.476 6.452 30 1 CKEF biogenic,in-vitro CCCCCCCCC/C=C\C/C=C\CCC(=O)CC 148198799 KQDHAQAIMOEUOT-QGLGPCELSA-N 278.480 6.389 30 1 CKEF C=C(C)[C@@H]1CC[C@@]2(C)CCC(CO)=CCCC(C)=CC[C@@H]12 2356401425 DUMMXSVBPOYDLM-SLFFLAALSA-N 288.475 5.424 30 1 CKEF C=C(C)[C@@H]1CC[C@@]2(C)C(=C(C)C=CC23CCCC3)C1 2356528473 XFGUNILNKVCSGM-AEFFLSMTSA-N 256.433 5.816 30 1 CKEF C=C1C=C[C@H]([C@H](C)CC(=O)CC(C)C)CCC(C)=CCC1 2356576313 WCPMPLJZWAHSJJ-MOPGFXCFSA-N 288.475 5.877 30 1 CKEF CCCCCCCCCC=CCC=CCCC(=O)CC 2356682384 KQDHAQAIMOEUOT-UHFFFAOYSA-N 278.480 6.389 30 1 CKEF C=C/C(C)=C/C[C@H]1C(=C)[C@@H](O)C[C@H]2C(C)(C)CCC[C@@]21C 85994040 UITXFWAOWQMNFN-UMJMDWPGSA-N 288.475 5.278 30 1 CKEF N#Cc1ccc(-c2[nH]c3ccccc3c2-c2ccccc2)cc1 213402412 HUUNKRYCSMFAMC-UHFFFAOYSA-N 294.357 5.374 30 1 CKEF C=C1CC[C@@H](C(C)C)[C@@H]2C=C(C)C(=O)C[C@]23[C@@H](C)CC[C@@H]13 238769007 CCZICCNXBIKTJO-ZYNAIFEFSA-N 286.459 5.176 30 1 CKEF COc1ccc(Cl)cc1C#CC1=CCC(=C(C)C)CC1 587912049 DYCGWAGSZBRLFN-UHFFFAOYSA-N 286.802 5.147 30 1 CKEF CC(C)C1=CC2=CC[C@H]3[C@@](C)(CCC[C@@]3(C)C=O)[C@@H]2CC1 14410392 HOFSYSONRIGEAC-ZRNYENFQSA-N 286.459 5.321 30 1 CKEF endogenous,in-man CCCCCC[C@H]1CC[C@H]2CC3=C(C)C(=O)C[C@]31C2(C)C 2356351925 HXHCKBVSAAHDMV-TWOQFEAHSA-N 288.475 5.689 30 1 CKEF C=C(C)[C@@H]1CC[C@]2(C)CC=C(C)CCCC(CO)=CC[C@@H]12 2356406785 GUBJHRKIQYMLSM-UFYCRDLUSA-N 288.475 5.424 30 1 CKEF C=C(C)C1=CC=C(C)CC[C@@H]2O[C@@]2(C)CCC=C(C)CC1 2356620473 UCWNYWBKCZSTFW-PMACEKPBSA-N 286.459 5.893 30 1 CKEF C=C(C)[C@@H]1C/C=C(\C)CC/C=C(\C)CC/C=C(\C)CC1=O 34250852 FHFFESCITRPPTG-QPHFJTKNSA-N 286.459 5.941 30 1 CKEF CCC/C=C/C(=O)[C@H](CC)CCCCCCCC 85734245 ROXUSSUCJYSSDP-ASNKMWSDSA-N 252.442 5.689 30 1 CKEF C=C(CCCCCCC)CCCCCCCC(=O)OC 2356796115 MVNXLSQYURZCAG-UHFFFAOYSA-N 282.468 5.807 30 1 CKEF CC(C)=C1C(=O)C[C@@]2(C)C/C=C(\C)CC/C=C(\C)CC[C@H]12 38922449 YETBHHZORHIONL-SYRRJQNTSA-N 286.459 5.775 30 1 CKEF C=C[C@]1(C)C[C@H](C)[C@@]23CCC[C@@H]2[C@@](C)([C@@H](C)CC3)[C@H](O)C1 2356846706 OPVUAGGKMBXOGV-BKFJMFTRSA-N 290.491 5.192 30 1 CKEF CCCCCCCCCCCCC(=O)c1ccc(CO)[nH]1 43397039 RSBABFMJERCRLG-UHFFFAOYSA-N 293.451 5.001 30 1 CKEF C=CC[C@H](Nc1cc(C)ccc1C)C1CCCCC1 103167522 WXPLULUSSKLIDP-KRWDZBQOSA-N 257.421 5.240 30 1 CKEF CC/C=C\C[C@@H]1O[C@@H]1C/C=C\CCCCCCC 169622804 IRQMBAZFZUBVIJ-ILIQPSMISA-N 250.426 5.417 30 1 CKEF CC1=C2C(=O)C[C@]2(C)[C@H]2C[C@H]3CC[C@@H](C)[C@@]2(CC1)C3(C)C 2356323211 ACGJQDXMQVADJC-TWFRWHMKSA-N 286.459 5.154 30 1 CKEF CC1=CC(=O)[C@]2(C)CCC(=C(C)C)[C@@H]2CCC(C)=CCC1 2356429432 UPOREMYWIBIKTQ-AZUAARDMSA-N 286.459 5.775 30 1 CKEF CCCCCC=CCCC=CCC[C@H](C)CCC=O 2356533872 BXUVLPDAJOPHFD-SFHVURJKSA-N 264.453 5.855 30 1 CKEF C=C1CC[C@H]2[C@@](C)(CC[C@H]3C[C@]32C)[C@H]1CCC(C)=CCO 2356688027 JFSXZUBJQWDKAA-VYJAJWGXSA-N 288.475 5.114 30 1 CKEF C=C1CC[C@@H](C(=C)C)[C@@H]2C=C(C)C(=C)[C@]3(CC=C(C)C3=O)[C@H]12 2356767581 FFKQCWPUBBEZDH-CTAFRAEOSA-N 294.438 5.183 30 1 CKEF CC1=CC[C@]2(C)CC[C@]3(C)C(=O)C=C(C(C)C)[C@@H]3[C@H]2CC1 5964448 UBFCZYCSGVNSQM-VBSBHUPXSA-N 286.459 5.321 30 1 CKEF biogenic,in-vitro CCCCCCCC[C@H]1OCCC[C@H]1CCCCCCC 32788671 RZWIIPASKMUIAC-WOJBJXKFSA-N 296.539 6.893 30 1 CKEF biogenic,in-vitro C=C(C)[C@H]1CC(=O)[C@]2(C)C/C=C(\C)CC/C=C(\C)CC[C@@H]12 102814306 RNHJVFUOEQKJEA-CEEAILBXSA-N 286.459 5.631 30 1 CKEF CCCCCCCC=C[C@H](C)CCCCCC(=O)O 2356437168 JDTHUXUAMUINHB-INIZCTEOSA-N 268.441 5.574 30 1 CKEF C=C[C@H]1CC[C@H]2[C@@H]3CCC4=CC(=O)C=C[C@]4(C)[C@H]3CC[C@@]21C 39375784 KFTYFBOHSUEIEJ-NWSAAYAGSA-N 296.454 5.097 30 1 CKEF CC/C=C\C/C=C\CCCCCCCCCCCCCC 149091595 YRHWKBHMAXDESB-DPTWWRMPSA-N 292.551 7.990 30 1 CKEF CCC=CCC=CC[C@@H]1O[C@@H]1CCCCCCCC 2356753162 ZKCKHRAPIWMJMM-ZWKOTPCHSA-N 264.453 5.807 30 1 CKEF C=C1CCC=C(C)CC=C2[C@H](C(C)C)CC[C@@]2(C)CC1=O 299808798 TUSPBQULTBUFEJ-PXNSSMCTSA-N 286.459 5.631 30 1 CKEF CCCCCCCCc1cnc2cccc3c2c1CC3 587214652 VTYZLBGUPVRHCF-UHFFFAOYSA-N 267.416 5.236 30 1 CKEF C=C(CCCCCCC[C@@H](C)CCCC(C)C)[C@@H](O)CO 2356536930 FBASPUBXIHUFOF-MJGOQNOKSA-N 298.511 5.089 30 1 CKEF C=C(C)[C@@H]1CC[C@]2(C)CC=C(C)CCC=C(C)C(=O)C[C@H]12 2356657013 QWFVFRAHUCTMJX-NSHGMRRFSA-N 286.459 5.631 30 1 CKEF CCCCCCC[C@@H](C)CCCCCCCC(=O)O 102181247 VVJMIVOFWQEQCH-MRXNPFEDSA-N 270.457 5.798 30 1 CKEF C=C(C)[C@H]1CC(=O)[C@@]2(C)C/C=C(\C)CC/C=C(\C)CC[C@H]12 144716806 RNHJVFUOEQKJEA-JTRMCQLDSA-N 286.459 5.631 30 1 CKEF C=C[C@]1(C)CC[C@H](C(C)=CC=CC(C)(C)O)C[C@H]1C(=C)C 2356427870 PGZCBHXBAUSEPY-CMKODMSKSA-N 288.475 5.445 30 1 CKEF C=C[C@]1(C)CC[C@@H]2[C@H](C1)[C@H](O)C[C@@H]1C(C)(C)CCC[C@@]21C 2356598179 HSBPTXURDITOSN-JLJUJHICSA-N 290.491 5.192 30 1 CKEF C=C(C)[C@@H]1CC[C@]2(C)C[C@@H]3c4c(coc4C[C@H]3C)CC[C@H]12 2356728439 JNMFJYUTUJNPQB-WPJIGYFFSA-N 284.443 5.500 30 1 CKEF CC(C)=C1C(=O)C[C@@]2(C)C/C=C(/C)CC/C=C(/C)CC[C@H]12 15147000 YETBHHZORHIONL-LEDJDMLZSA-N 286.459 5.775 30 1 CKEF CCCCCCCCCCCCCC[C@@H](O)CNC(C)C 59535909 SCNIDHYGFLYKBI-LJQANCHMSA-N 299.543 5.437 30 1 CKEF CCCCCCCCC[C@@H](C)CCC[C@H](C)CCCC 85644938 MEHFAVZCNHHAMJ-WOJBJXKFSA-N 282.556 7.760 30 1 CKEF C=C1CC[C@H]2[C@](C)(C(=O)O)CCC[C@]2(C)[C@H]1CCC(C)C 238764043 YWNVUSYLDSLXLI-QFHJOOASSA-N 292.463 5.286 30 1 CKEF C=CCc1cccc2nc(/C=C(/C)C3CCCCC3)[nH]c12 587967767 MIKQIJKONRFMAU-YPKPFQOOSA-N 280.415 5.275 30 1 CKEF CCCCCCCCCCCCCCNc1ncccn1 66100298 RYARTMBYFHLMSP-UHFFFAOYSA-N 291.483 5.590 30 1 CKEF C=C(C)[C@@H]1CC[C@]2(C)/C=C\[C@H](C)CC/C=C(\C)CC[C@@H]12 169340279 DQSHCYDPVQKJSC-HGVRFYQCSA-N 272.476 6.308 30 1 CKEF CCCCCCCCCC=CC=CC(=O)N1CCCCC1 2356604598 ARLNCELWGQDJPO-UHFFFAOYSA-N 291.479 5.252 30 1 CKEF C=C[C@@](C)(O)CCC[C@@H](C)CC[C@@H]1[C@@H](C)CCCC1(C)C 14951610 DIWXEIHNCONMIX-AJYBTWMASA-N 294.523 5.972 30 1 CKEF CCCCCCCCCCC12C[C@@H]3CC(C[C@H](C3)C1)[C@@H]2N 102172931 HNYSIBHYZZVCEI-WKKAHXHTSA-N 291.523 5.671 30 1 CKEF CCCCCC=CCC=CCCCCCCCCC 2356596236 CHDWJDUCMSJPPJ-UHFFFAOYSA-N 264.497 7.210 30 1 CKEF CCCCCCCCCCCCC#CCCCCC(=O)O 44352485 IHVJOQPMHFEHNY-UHFFFAOYSA-N 294.479 5.946 30 1 CKEF CCCCCCC/C=C\C[C@H](O)CCCCCCC(=O)O 216575085 BKCKYGZWELUHED-NLZINVLXSA-N 298.467 5.079 30 1 CKEF C=C(C)[C@@H]1CC[C@]2(C)[C@H](O)C=C(C)CCC=C(C)CC[C@H]12 2356498375 UZTOJKXDMCORLM-NMLBUPMWSA-N 288.475 5.423 30 1 CKEF CC/C(C)=C\CC/C(C)=C/C[C@H](C)[C@H](C)CC=O 59725495 RXBWBMXVYZIXDB-MGZMACPBSA-N 250.426 5.321 30 1 CKEF CCCCCCCCC=CCCCC=CCCC(=O)O 2356545257 HQDZXXJLRBJIPD-UHFFFAOYSA-N 280.452 5.885 30 1 CKEF C=CC(=C)CC[C@@H]1[C@H](C)CC[C@H]2C(C)(C)CCC[C@]21C 2356415452 LUKIBLCEDWYPJC-XSYGEPLQSA-N 274.492 6.388 30 1 CKEF CCCCCCCCC=CCCC[C@@H]1CCC[C@H](C)N1 2356510746 KGZVUZULXQDUBG-RBUKOAKNSA-N 279.512 5.994 30 1 CKEF C=C(CCCCCCC[C@H](C)CCCC(C)C)[C@H](O)CO 2356536931 FBASPUBXIHUFOF-PKOBYXMFSA-N 298.511 5.089 30 1 CKEF C=C(C)[C@H]1C[C@H](O)[C@]2(C)C/C=C(\C)CC/C=C(/C)CC[C@@H]12 169338398 YUHFWLZIGAFAIH-IJYXIQLTSA-N 288.475 5.423 30 1 CKEF CC1(C)CCC[C@@]2(C)[C@@H]3CC[C@@]4(C)C[C@]3(CC[C@H]12)[C@@H]1O[C@@H]14 238774330 KDWSLQUUCAGMBE-SZBWWIKHSA-N 288.475 5.187 30 1 CKEF CCCCCCCCCCCc1cccc(O)c1C(C)=O 473110440 WADCNVWANPTEDF-UHFFFAOYSA-N 290.447 5.668 30 1 CKEF C=C[C@@]1(C)C=C2CC[C@H]3C(C)(C)CCC[C@]3(C)[C@@H]2CC1 1532403 XDSYKASBVOZOAG-PIKOESSRSA-N 272.476 6.142 30 1 CKEF endogenous,in-man CCCCCCCc1cccc(CCCCCCC)[n+]1C 473093250 SYPPNWBQRJUORN-UHFFFAOYSA-N 290.515 5.537 30 1 CKEF C=C1C[C@@]23CC[C@@H]4C(C)(C)CCC[C@]4(C)[C@H]2C(=O)C[C@H]1C3 2356692223 OBGDKDRUHRCMHT-OJXKADHTSA-N 286.459 5.154 30 1 CKEF C=C(C)[C@H]1CC[C@]2(C)C[C@@H]3O[C@@]3(C)CC/C=C(\C)CC[C@@H]12 15146812 DAWVJYSOOMMDRV-RKSCGOAZSA-N 288.475 5.663 30 1 CKEF CC1=CCCC(C)(C)[C@@H]1CCC(=O)/C=C/c1ccc(O)cc1 40847389 PEFTYPUDQGBHEU-UFUQCMIWSA-N 298.426 5.137 30 1 CKEF CCCCCCC[C@]1(C)C=Cc2ccc(OC)cc2O1 43394293 KHZAPGBMXAQKQK-GOSISDBHSA-N 274.404 5.220 30 1 CKEF CCCCCCCCC/C=C/CC/C=C/CCC(=O)O 102181884 ZUJRIJVETNXFEO-RICRECKTSA-N 280.452 5.885 30 1 CKEF C/C1=C\CC(=O)/C(C)=C/[C@@H]2[C@@H](CC/C(C)=C/CC1)C2(C)C 141202038 UJRRNBNNVPPTBX-DTXVRSRVSA-N 286.459 5.631 30 1 CKEF CCC=CCC=CC[C@H]1O[C@H]1CCCCCCC 2356471723 XKXHPEFHBVBMGF-DLBZAZTESA-N 250.426 5.417 30 1 CKEF C=C1CC[C@@H]2[C@@H]1[C@@H]1[C@H]([C@H](C)CC(=O)CC(C)C)CC[C@]12C 2356621663 MJVREFNGXLSWKW-LQYQHUGMSA-N 288.475 5.256 30 1 CKEF CC(C)c1ccc(/N=N/C=C2/Nc3ccccc3C2=O)cc1 49783960 PNEDWVWXYKLHRW-WZOFUNJYSA-N 291.354 5.044 30 1 CKEF CCCCCCCCCC/C=C/CCOC(C)=O 59725173 YUOMITSDDKQODR-OUKQBFOZSA-N 254.414 5.027 30 1 CKEF CCCCCCCCCC[C@H](C)/C=C(C)/C=C/C(=O)O 85644004 JYGBGHZWUDFYIP-UAOWLTOQSA-N 280.452 5.740 30 1 CKEF C=CC(C)=CC[C@@H]1C(=C)CC[C@H]2C(C)(C)C(=O)CC[C@]12C 2356469201 DJHJAXUNPSDCLR-FUHIMQAGSA-N 286.459 5.487 30 1 CKEF C=C[C@]1(C)CC[C@H](C(C)=CCCC(=C)C)C[C@H]1C(=C)C 2356687091 DAGCNSBIYQRVRH-SLFFLAALSA-N 272.476 6.474 30 1 CKEF C=C[C@]1(C)CC[C@H](C(C)=CCCC(=C)C)C[C@@H]1C(=C)C 2356687093 DAGCNSBIYQRVRH-XUVXKRRUSA-N 272.476 6.474 30 1 CKEF CC1=CCCC(C)(C)[C@@H]1/C=C/C(=O)/C=C/c1ccccc1F 40915035 RXNSTHXWZJENSM-JDTXGYCBSA-N 298.401 5.347 30 1 CKEF CCCCCCCCCCC(=O)OCCCCCCCC 101438517 ZTQXUBIOBVBWTF-UHFFFAOYSA-N 298.511 6.421 30 1 CKEF CCCCCCCCC/C=C\c1cc(=O)c2ccccc2[nH]1 217354363 QXNYALKSDQNMBV-RAXLEYEMSA-N 297.442 5.682 30 1 CKEF C=CCCCCCCC#CCCCCCCCC(=O)O 14616353 JSDJDUFIGGRVBJ-UHFFFAOYSA-N 278.436 5.332 30 1 CKEF CC(C)=C1CC[C@]2(C)C/C=C(\C)CC[C@@H]3O[C@@]3(C)CC[C@H]12 166776764 UMVGNJODTPJDBL-NXDBBDFISA-N 288.475 5.807 30 1 CKEF CC/C=C\C/C=C\C[C@@H]1O[C@H]1CCCCCCC 169622799 XKXHPEFHBVBMGF-LSRFYDDCSA-N 250.426 5.417 30 1 CKEF C=C[C@]1(C)CC[C@@]2(C)[C@@H]3CC[C@H](O)C(=C)[C@@]3(C)CC[C@@H]2C1 2356689529 MCYODHVOZQYHEO-DNDRQTMDSA-N 288.475 5.112 30 1 CKEF CCCCCCCCC#CCCCCCCC(=O)O 102182212 JXFYGWGDTRNNEQ-UHFFFAOYSA-N 266.425 5.166 30 1 CKEF C=C(C)[C@H]1C[C@@H](O)[C@]2(C)C/C=C(/C)CC/C=C(\C)CC[C@@H]12 169340651 YUHFWLZIGAFAIH-ZQDFWKHYSA-N 288.475 5.423 30 1 CKEF C=C(C)[C@H]1C/C=C(\C)CC/C=C(\C)CC/C=C(/C)C[C@H]1O 207609974 HTWXQGABXITTNW-GVWSHHCGSA-N 288.475 5.733 30 1 CKEF C=C(C)[C@@H]1C/C=C(\C)CC/C=C(\C)C/C=C/[C@@](C)(O)CC1 238767361 OKMUNWQJDKXXGX-HDAIBRJASA-N 288.475 5.733 30 1 CKEF CC(C)=CCC/C(C)=C/c1nc2cc(C#N)cc(Cl)c2[nH]1 587968813 UMPUBAIAPBMEID-KPKJPENVSA-N 299.805 5.238 30 1 CKEF C=CC(=C)CC[C@H]1[C@](C)(O)CC[C@@H]2C(C)(C)CCC[C@]21C 15955448 JTWQQJDENGGSBJ-HNBVOPMISA-N 290.491 5.502 30 1 CKEF biogenic,in-man CCCC/C=C\CC/C=C/CCCCCCCCCCC 238760630 LBLSBMUWVIFTHP-WFONHNEBSA-N 292.551 7.990 30 1 CKEF Cc1[nH]c2c(C)cc(Cl)cc2c1[C@@H]1[C@@H](CC#N)C1(C)C 587624448 JRBHPRDJBHKBSV-HIFRSBDPSA-N 286.806 5.091 30 1 CKEF CCCCCC=CC[C@H]1O[C@H]1CCCCCCCC(=O)O 2356580921 FBUKMFOXMZRGRB-SJORKVTESA-N 296.451 5.096 30 1 CKEF C=C1CC[C@@H]2C(C)(C)CCC[C@@]2(C)[C@@H]1CC=C(C)CC=O 2356707212 KPYYUYXSRFDZHH-GGPKGHCWSA-N 288.475 5.711 30 1 CKEF CCC[C@H](C)c1[nH]c2ccc([C@@H](C)CC)cc2c1C#N 587641830 KFDOPALCIJVJOU-STQMWFEESA-N 268.404 5.457 30 1 CKEF C=CC(=O)C(=C(SCC)c1ccccc1)c1ccccc1 2356314440 KSHJONUPWTVWDL-UHFFFAOYSA-N 294.419 5.063 30 1 CKEF C=C1CC[C@@]23[C@@H]([C@@H]([C@H](C)CC(=O)C=C(C)C)CC[C@H]2C)[C@H]13 2356846220 OLHOFPKGLSAYBU-FMPVVUMJSA-N 286.459 5.176 30 1 CKEF C=CCOC(=O)/C=C(\C)CC/C=C(\C)CCC=C(C)C 27991307 DMUYRTYBVBHECQ-GIROIBLESA-N 276.420 5.135 30 1 CKEF C=C1C(=O)[C@]23CC[C@@H]4C(C)(C)CCC[C@]4(C)[C@H]2CC[C@H]1C3 85988993 QDDOPNSTHQXUQO-ZOTMLPGNSA-N 286.459 5.154 30 1 CKEF biogenic,in-vitro C=CC[C@H](c1ccc(F)cc1)c1c(O)ccc2ccccc12 103172657 LZQFOSPCGDNZAS-QGZVFWFLSA-N 292.353 5.393 30 1 CKEF C=C(C)[C@@H]1CC[C@]2(C)C(=C(C)C=C[C@]23CC[C@H](CO)C3)C1 2356352264 QDWQGUANFJRUEY-ONCXSQPRSA-N 286.459 5.034 30 1 CKEF C=CC=CC[C@@H]1CCC[C@@H]2N[C@H](CCCC=C)CC[C@@H]12 2356396582 PACVAHZJQKARAV-YRXWBPOGSA-N 273.464 5.012 30 1 CKEF C=C1CCC=C(C)CC[C@@H]2[C@@H]1C[C@]2(C)C[C@H](O)C=C(C)C 2356427759 LUOWJVIXKXXKJE-WTGUMLROSA-N 288.475 5.423 30 1 CKEF CCC=CCC=CC[C@H]1O[C@@H]1CCCCCCC 2356471724 XKXHPEFHBVBMGF-IAGOWNOFSA-N 250.426 5.417 30 1 CKEF C=C1CCC=C(C)CC[C@@H]2[C@H]1C[C@@]2(C)C(=O)CC=C(C)C 2356587816 YRSZRXAWRABNPZ-NLWGTHIKSA-N 286.459 5.631 30 1 CKEF C=C[C@]1(C)CC[C@H]2[C@](C)(C=C[C@H]3C(C)(C)CCC[C@@]32C)O1 15167379 LGZGZUXGOFLQOU-NXHKRRBXSA-N 288.475 5.519 30 1 CKEF C=C(C)[C@@H]1CC/C(C)=C/CC/C(C)=C/CC[C@]2(C)O[C@H]2C1 34827322 KEOMEGAHKSPEBP-VWTPCSIPSA-N 288.475 5.973 30 1 CKEF Cc1[nH]c2c(C)cc(Cl)cc2c1[C@@H]1[C@H](CC#N)C1(C)C 587624450 JRBHPRDJBHKBSV-ZFWWWQNUSA-N 286.806 5.091 30 1 CKEF C=CCc1cccc2nc(/C=C(/C)CCC=C(C)C)[nH]c12 587968422 QCALDNLFISCDBZ-SQFISAMPSA-N 280.415 5.441 30 1 CKEF CC(=O)C1=CC[C@H]2[C@@H]3CC=C4CCCC[C@]4(C)[C@H]3CC[C@]12C 2563106 LFAFZZXTPYTILE-RKFFNLMFSA-N 298.470 5.465 30 1 CKEF biogenic [N-]=[N+]=Nc1c(Cc2ccccc2)c(Cl)nc2ccccc12 17253768 VYRPSBGXRZRSBM-UHFFFAOYSA-N 294.745 5.421 30 1 CKEF CCCCCCC[C@@H](C)CCC[C@@H](C)CCCC 85644007 MSCAXABCKPATMC-ZWKOTPCHSA-N 254.502 6.980 30 1 CKEF CCCCCCC[C@@H](C)CCC[C@H](C)CCCC 85644016 MSCAXABCKPATMC-QZTJIDSGSA-N 254.502 6.980 30 1 CKEF C=C[C@]1(C)CC[C@@H](C(=C)C)[C@H](c2ccc(O)cc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c1ccc(O)c(O)c1 299834710 CDLPORXTEDXZFQ-UHFFFAOYSA-N 293.451 5.431 30 1 CKEF C=C(C)[C@@H]1CC=C(C)CCC=C(C)CC=C[C@](C)(O)CC1 2356545227 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C=C1C[C@@](C)(/C=C/C=C/CCCCCCCC)OC1=O 42851903 CIUVHSRFRVWPDP-HFKYTIITSA-N 276.420 5.111 30 1 CKEF C=C[C@]1(C)CC[C@@]2(C)C3=CCC[C@](C)(CO)[C@@H]3CC[C@@H]2C1 84687825 YQXKHENEQRLREB-YKXHTNLXSA-N 288.475 5.114 30 1 CKEF CCCCCCC/C=C\C/C=C\CCCCCC(=O)O 85547830 UNQVCNJXEMDZNO-MURFETPASA-N 280.452 5.885 30 1 CKEF CCCCCCCCCCc1cc(=O)c2ccccc2n1C 238741499 MKGBRVCDCCYRNA-UHFFFAOYSA-N 299.458 5.222 30 1 CKEF C=C[C@@]1(C)CC=C2[C@@H](CC[C@@H]3[C@]2(C)CCC[C@@]3(C)CO)C1 238780540 YSFNIVKHYKBKHI-ONSCTEFMSA-N 288.475 5.114 30 1 CKEF CC[C@@H](C)c1ccc2[nH]c(-c3ccccc3F)c(C#N)c2c1 587641368 IJNVQTKEJPNZDZ-GFCCVEGCSA-N 292.357 5.359 30 1 CKEF CC1=CCC[C@]2(C)O[C@@H]2C[C@@]2(C)CCC(=C(C)C)[C@H]2CC1 2356442399 ASMOKPSATRQJPP-WTGUMLROSA-N 288.475 5.807 30 1 CKEF C=C(C)[C@H]1CCC(C)=CCCC(C)=CC[C@H](C(=C)C)C1 2356662110 CIJBIDDWTJGAAD-PMACEKPBSA-N 272.476 6.618 30 1 CKEF CCCCCCC/C=C\C[C@H]1CCC[C@H]2CCCN21 205177676 KUOHEKAUFRUGAR-VTFYZGIISA-N 263.469 5.310 30 1 CKEF CC[C@@H](C)c1ccc2[nH]c(-c3ccc(C)o3)c(C#N)c2c1 587643238 SFTIZYZCTGVLMJ-LLVKDONJSA-N 278.355 5.122 30 1 CKEF C=C[C@]1(C)C=CC2=C(C1)C(=O)C[C@H]1C(C)(C)CCC[C@]21C 2356340890 AGQRSFTXLNSAFT-DFQSSKMNSA-N 284.443 5.241 30 1 CKEF CCCCCCCCCC/C=C\CCCCCC=C(C)C 238767126 WXMWKAFAWRODOZ-YPKPFQOOSA-N 292.551 7.990 30 1 CKEF CCCCCCCCCCCCC(=O)NCCC(C)C 2356796491 NHIPIGXCJWQVRH-UHFFFAOYSA-N 283.500 5.460 30 1 CKEF CCCC/C=C\C/C=C\CCCCCCCCC=O 80021657 FSWKPPANMNTLMX-AFJQJTPPSA-N 264.453 5.999 30 1 CKEF C=C[C@@](C)(O)CC[C@@H]1C(=C)CC[C@@H]2[C@@H]1CCCC2(C)C 238738093 GVOGOQOITKASLT-YWTNHNAXSA-N 276.464 5.112 30 1 CKEF CC(=O)C1=CC[C@@H]2[C@H]3CC=C4CCCC[C@]4(C)[C@@H]3CC[C@]12C 255225744 LFAFZZXTPYTILE-LELZANKISA-N 298.470 5.465 30 1 CKEF C=CCCC[C@@H]1C(=C)CC[C@@H]2[C@@](C)(C(=O)O)CCC[C@]21C 2356449154 CQUKNNORHGLHKG-NEPXVJNWSA-N 290.447 5.206 30 1 CKEF C=C1Oc2cc(C(C)(C)CCC)ccc2[C@@H]2CC(C)=CC[C@H]12 2356688404 ZCUGLRPIWDWLGH-IEBWSBKVSA-N 296.454 6.110 30 1 CKEF CCC(C#N)(CC)c1ccc(-c2ccccc2)c(F)c1 71296725 VNJCUAIJDZOYPP-UHFFFAOYSA-N 267.347 5.074 30 1 CKEF CCCCCCCC/C=C/CCCCCC(=O)OC 85836529 FXCDESKKWMGGON-ZHACJKMWSA-N 268.441 5.417 30 1 CKEF CCCCCCCCCCC[C@@H]1CC=C/C(=C\C(C)=O)O1 473111391 ZDOQVHVFJATDRW-CQGUWYRNSA-N 292.463 5.725 30 1 CKEF CCCCCCC=CC#CCCCCCCC(=O)OC 2356570658 QSOXHGWBNRSJPE-UHFFFAOYSA-N 278.436 5.030 30 1 CKEF C#CCCCCCCCC1=C(CCCCCCC(=O)O)C1 14715605 CUWBJXSLCSBCIA-UHFFFAOYSA-N 290.447 5.476 30 1 CKEF in-vitro CCCCCCC[C@H](C)C[C@H](C)C[C@H](C)C(=O)OC 2356628205 KSMQKHAGUICXMV-JYJNAYRXSA-N 270.457 5.208 30 1 CKEF C=C(C)[C@H]1C/C=C(\C)CC/C=C(\C)CC/C=C(/C)CC1 109674447 VWSPQDDPRITBAM-BOWIQBHHSA-N 272.476 6.762 30 1 CKEF biogenic,in-vitro C=C(C)[C@@H]1CC/C(C)=C\CC/C(C)=C/CC[C@]2(C)O[C@H]2C1 169292370 KEOMEGAHKSPEBP-MHQHEHLRSA-N 288.475 5.973 30 1 CKEF C=C1C[C@H](CCCCCCCCCCCCC)OC1=O 299829070 PLZXNCMTDJZMBC-KRWDZBQOSA-N 280.452 5.559 30 1 CKEF C=CCCCCCCCCCCC[C@@H]1CC[C@@H](CC)N1 5810939 PXXOCCKIKHYKDO-RTBURBONSA-N 279.512 5.994 30 1 CKEF C=CC[C@@H](C)c1cc2c3c(cccc3n1)C(=O)c1ccccc1-2 587107179 PPRVZEYOZHNSGR-CYBMUJFWSA-N 299.373 5.126 30 1 CKEF CCCCCCCC=CC[C@@H]1CCC[C@H]2CCCN12 2356770334 KUOHEKAUFRUGAR-MSOLQXFVSA-N 263.469 5.310 30 1 CKEF CCCCCCCCC[C@@H](C)CCC[C@@H](C)C(=O)O 102180656 WHGDPKYLDRGDLD-HZPDHXFCSA-N 270.457 5.654 30 1 CKEF C=C(C)[C@@H]1C[C@H](O)[C@@]2(C)CC=C(C)CCC=C(C)CC[C@@H]12 2356553416 YUHFWLZIGAFAIH-MUGJNUQGSA-N 288.475 5.423 30 1 CKEF CCCCCCCCCCCC=CC=CC(=O)OCC 2356595717 QUHRGXQJTPAPQQ-UHFFFAOYSA-N 280.452 5.583 30 1 CKEF CCCCCCCCCC[C@@H]1O[C@@H]1CCCC(C)C 148383748 MYAXSLNSJQGASK-ZWKOTPCHSA-N 268.485 6.111 30 1 CKEF CCCCCCCCCCCC[N+](C)(C)/C(C)=C/O 38158033 SRWNMQDXTWTXIG-WUKNDPDISA-O 270.481 5.403 30 1 CKEF C[C@@H]1CCC[P@@+](Cc2ccccc2)(c2ccccc2)CC1 73259034 DSICDDPAKCYBEI-WIYYLYMNSA-N 297.402 5.350 30 1 CKEF C=C[C@@]1(C)CC[C@H]2C(=CC[C@H]3C(C)(C)C[C@H](O)C[C@@]32C)C1 231212961 MLOPHDHVDNQKHF-VDWQKOAOSA-N 288.475 5.112 30 1 CKEF C=C[C@]1(C)CC[C@]2(C)[C@H](CC[C@@]3(C)C(=C)C(=O)C=C[C@@H]32)C1 2356794934 IFQOXYBOGBKXMZ-MTEHYEEQSA-N 284.443 5.097 30 1 CKEF N#Cc1c(-c2cccc(Cl)c2)sc2ccccc12 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7.600 30 1 CKEF CCCC(=O)/C=C(C)/C=C/C[C@H](C)CCCC(C)C 29307179 HXULOOOVNDREJG-RJWRYALSSA-N 264.453 5.711 30 1 CKEF CCCCCCCCCCCCCCC(=O)OCCC 98083715 DCBIIHXLNZHPSE-UHFFFAOYSA-N 284.484 6.031 30 1 CKEF C=C[C@H]1CC[C@H]2[C@@H]3CCc4cc(O)ccc4[C@H]3CC[C@@]21C 14615387 CQAJPFMQZHVEQK-JLTFKRJCSA-N 282.427 5.051 30 1 CKEF C[C@H](C/C=C/C#CC(C)(C)C)Cc1cccc2ccccc12 44247027 BVKVOBLSRDPEJW-DUMMIQTOSA-N 290.450 6.014 30 1 CKEF CCCCCCCCOc1nsc2ccccc12 73167754 IKXQBUZVVHLGKI-UHFFFAOYSA-N 263.406 5.036 30 1 CKEF C=C=CCCC1=CC[C@@H]2[C@@H](CCCC=C)CCC[C@H]2N1 2356432590 GDWPVZNEQABJMM-QXAKKESOSA-N 271.448 5.126 30 1 CKEF CCCCCCC=CCCCCCCCCCC#N 2356551794 SJCDLORCWMRVDC-UHFFFAOYSA-N 263.469 6.547 30 1 CKEF C=CCSC(=O)/C=C(C)/C=C/C[C@H](C)CCCC(C)C 29316773 ZAYPJJYTQQTUJX-DVAVMXAFSA-N 294.504 5.787 30 1 CKEF C=C[C@]1(C)CC[C@H]2[C@@](C)(O1)[C@H]1C[C@H]1[C@@]2(C)CCC=C(C)C 34203427 NWXSZHOIGZOOBE-BGSOWLKRSA-N 288.475 5.519 30 1 CKEF C=C1CC[C@@H]2[C@H](C)CCC[C@]2(C)[C@H]1CCC(C)=CC(=O)O 2356466700 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CCCCCCCC[C@H]1[C@@H]2Cc3cccc4c3[C@@H]2[C@@H]1C=CO4 238735029 ANMHTSXDCQBWAR-DCXXXQMHSA-N 296.454 5.845 30 1 CKEF C=CCCCCCCC[C@@H]1CC[C@@H](CCCCC=C)N1 5157699 YCQNSAJAZIVRFR-RTBURBONSA-N 277.496 5.770 30 1 CKEF biogenic,in-vivo C=C(C)[C@@H]1CC[C@@]2(C)[C@H]1CC/C(C)=C/CC/C(C)=C/[C@H]2O 238746975 UZTOJKXDMCORLM-XNMRWMHCSA-N 288.475 5.423 30 1 CKEF CCCCc1ccc(C#Cc2cc(Cl)ccc2OC)cc1 587905964 OKBMZMWPBGCTGY-UHFFFAOYSA-N 298.813 5.091 30 1 CKEF C=C[C@]1(C)CC[C@@H](C(C)=CC=CC(C)=O)C[C@H]1C(=C)C 2356481013 ZPIGAWRLOACSCC-CEXWTWQISA-N 272.432 5.263 30 1 CKEF C=CCCCC[C@H](C)CCCC=CC#CCCCC(=O)O 2356489866 MYZUKLSBSYDRBA-SFHVURJKSA-N 290.447 5.354 30 1 CKEF CC(C)C1=C[C@@H]2C=C[C@H]3[C@@](C)(CCC[C@@]3(C)C=O)[C@H]2CC1 2356634250 CQHXWPMUHGVWES-KNJMJIDISA-N 286.459 5.176 30 1 CKEF C=C[C@]1(C)CC[C@]2(C)[C@H](O1)[C@@H]1C[C@H]1[C@]2(C)CCC=C(C)C 2356804627 ZILNHCOODOJRFM-UXXOSCIKSA-N 288.475 5.519 30 1 CKEF CCCCCCCCCCCC(=O)NC[C@H](C)CC 474602136 AKCDAPIBMHWMTN-MRXNPFEDSA-N 269.473 5.070 30 1 CKEF C=C(c1ccccc1)[C@@]12CCC[C@@H]1CC=C2c1ccccc1 71316174 FRBVMKMMCCWGRZ-IRLDBZIGSA-N 286.418 5.974 30 1 CKEF C=C[C@@H](C)CCCCCC[C@@H]1C=CC(C)=C2CCCN21 2356833678 KIMXRWLLTIHIDG-SJLPKXTDSA-N 273.464 5.457 30 1 CKEF C=C[C@]1(C)CC[C@@H](C(C)=CC=CC(C)=O)C[C@@H]1C(=C)C 2356481015 ZPIGAWRLOACSCC-GUDVDZBRSA-N 272.432 5.263 30 1 CKEF C=C1CCC=C(C)CC[C@@H](C(=C)CCC=C(C)C)[C@@H]1CO 2356733943 HHVRAMGRJIPOAE-VQTJNVASSA-N 288.475 5.590 30 1 CKEF CCCCCCCCCCCCC[C@H](C)CCC(=O)O 85530413 YJSYQGRKJYFNIE-KRWDZBQOSA-N 284.484 6.188 30 1 CKEF biogenic,in-vitro C=CC(=C)CC/C=C(\C)CC[C@@H]1C(=C)CCCC1(C)C 85930793 JYLFEIJIZTXUNT-GTENMVSRSA-N 272.476 6.618 30 1 CKEF C=CC(C)(C)c1nc2c3ccccc3c3ccccc3c2[nH]1 587956202 ZXXOYBYRRNQVJL-UHFFFAOYSA-N 286.378 5.333 30 1 CKEF O=C1/C(=C/C2CCCCC2)CCC/C1=C\C1CCCCC1 2178320055 CKYYFUIIEUCWRC-JSAVKQRWSA-N 286.459 5.753 30 1 CKEF C=C(CC=CC(C)(C)O)[C@@H]1CC[C@]2(C)C=CC=C(C)[C@@H]2C1 2356732985 MTVZOJVTVZWEBK-HBFSDRIKSA-N 286.459 5.199 30 1 CKEF C=C[C@H](C)C=C[C@@H]1C(=C)CC[C@@H]2C(C)(C)C[C@H](O)C[C@@]12C 2356796287 NBIYTAWDJZYDBN-KNRPQUBCSA-N 288.475 5.134 30 1 CKEF CCCCCCC/C=C/CCCCCCCCCC(=O)O 86046846 JDPDAWHZOMLJCH-CMDGGOBGSA-N 296.495 6.499 30 1 CKEF CCCCCCCCCCc1cc(=O)c2ccccc2[nH]1 136811406 DYXXRQKFHMJDMM-UHFFFAOYSA-N 285.431 5.211 30 1 CKEF CC(C)=CCC/C(C)=C/CC/C(C)=C/CSCCS 149208887 JDYJUJOXUYAFGE-BTMZFSHUSA-N 298.561 6.069 30 1 CKEF C=CCc1cccc2nc(CC3CCC(C)(C)CC3)[nH]c12 587961730 WGBNVIIWZSEQIZ-UHFFFAOYSA-N 282.431 5.050 30 1 CKEF CCCCCCCC=CC=CCCCCCCCC(=O)O 2356402631 MOIMCLVISGTLEK-UHFFFAOYSA-N 294.479 6.275 30 1 CKEF CCCCCCCCC=C(C)CCCCCCCC 2356549102 RCKXFWRCJBTHNQ-UHFFFAOYSA-N 266.513 7.434 30 1 CKEF C=C/C=C/C[C@@H]1CCC[C@@H]2NC(CCCC=C)=CC[C@@H]12 238786565 AMWVEAYBZDOUNE-IWJYJPLXSA-N 271.448 5.137 30 1 CKEF C=CCc1cccc2nc(-c3c(C)ccc4ccccc34)[nH]c12 586883560 KSHDUROHHVMOCX-UHFFFAOYSA-N 298.389 5.420 30 1 CKEF O=C1C(=Cc2cccs2)CCCC1=Cc1cccs1 1857742283 KHXBULXCCPIELT-UHFFFAOYSA-N 286.421 5.030 30 1 CKEF C=C[C@]1(C)CC=C2[C@H](CC[C@@H]3C(C)(C)C(=C)CC[C@@]23C)C1 2356379760 HKVGCSPOXXJPKO-DWIQEWEKSA-N 284.487 6.308 30 1 CKEF CCCCCCCC/C=C/CCC[C@@H]1CCC(=O)O1 43620399 WPPSZGNPTNWRKO-ZNFPLGDCSA-N 266.425 5.169 30 1 CKEF CCC[C@@H](C)c1[nH]c2ccc([C@H](C)CC)cc2c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c1c(C)cccc1C 200585959 YVTMALIUQBCXLP-UHFFFAOYSA-N 274.492 6.767 30 1 CKEF CCCCCCCCC/C=C\C=C/C(=O)NCC(C)C 212745642 AGJAUFUNZWHLKE-ZJQKOVPWSA-N 279.468 5.012 30 1 CKEF CC1=CCC2=CC[C@@H](C(C)C)[C@]2(C)CC(=O)C(C)=CCC1 2356459878 CBNJKHFHKYZNCB-AZUAARDMSA-N 286.459 5.631 30 1 CKEF CCCCCCC[C@H](C)CCCCCCCC(=O)O 86051506 VVJMIVOFWQEQCH-INIZCTEOSA-N 270.457 5.798 30 1 CKEF CC1(C)CCC[C@]2(C)[C@@H]1CC[C@@]13C[C@@H](CC[C@H]12)[C@@]1(CO1)C3 95911329 IVLAOQKNYRWCMZ-URTLRTLISA-N 288.475 5.188 30 1 CKEF biogenic,in-vitro C=C[C@@]1(C)C=C2CC[C@@H]3C(C)(C)C[C@@H](O)C[C@@]3(C)[C@@H]2CC1 95912089 ONZXOVHXOYBKLR-GNVJSZRZSA-N 288.475 5.112 30 1 CKEF biogenic,in-vitro C=C1/C=C/[C@@H]([C@@H](C)CC(=O)CC(C)C)CC/C(C)=C/CC1 96086208 WCPMPLJZWAHSJJ-QEWZTYPOSA-N 288.475 5.877 30 1 CKEF in-vitro CCCCCCCCCCCCCCCC[C@H](O)C=O 100087767 UXRGRFSIHMNRDL-SFHVURJKSA-N 284.484 5.418 30 1 CKEF in-vitro CCCCCCCCCCCCCC[C@H]1CCCO1 103290944 KQKGTCUKCPVIJW-SFHVURJKSA-N 268.485 6.257 30 1 CKEF C=C1CC[C@@H]2[C@@H]1[C@@H]1[C@H]([C@@H](C)CC(=O)C=C(C)C)CC[C@]12C 2356458654 QCUYCSJANBKKLA-SPBYYHCPSA-N 286.459 5.176 30 1 CKEF C=C(C)[C@H](CC)CCCCCCCCCCCCCC 44386729 FKAXWIGMLUBWHV-HXUWFJFHSA-N 280.540 7.680 30 1 CKEF CCCCCCCCCCCC[C@H](C)CCC(=O)O 86051495 FWZFPYVAIYYOGZ-INIZCTEOSA-N 270.457 5.798 30 1 CKEF CCCCCCCC[N+](C)(C)Cc1ccc(Cl)cc1 169332823 IDHYPIHTMDGPGC-UHFFFAOYSA-N 282.879 5.277 30 1 CKEF CCCCCCCC/C=C/CCCC[C@@H]1CCC(=O)O1 49881852 MFJQEKNPFKHQHP-OAGJVSPASA-N 280.452 5.559 30 1 CKEF CCCCCCCCCCC/C=C\CCC(=O)O 70455095 OXGMPGKZDZPDIF-SEYXRHQNSA-N 254.414 5.328 30 1 CKEF biogenic,in-vitro CCCCCCCc1nc2cccc3c2c(c1C)CC3 587212713 DAJGRLNCMSFCJF-UHFFFAOYSA-N 267.416 5.155 30 1 CKEF C=CCCCCCCCC=CC[C@@H](O)[C@@H](O)CCCCC 2356524852 DJFPWUBTBKGAGA-RBUKOAKNSA-N 296.495 5.152 30 1 CKEF C=C(C)[C@@H]1CC[C@]2(C)C/C=C(\C)CC/C=C(/C)C(=O)C[C@@H]12 169296120 QWFVFRAHUCTMJX-VJTUIWOLSA-N 286.459 5.631 30 1 CKEF C=CC(C)=CC[C@@H]1C(=C)CC[C@H]2[C@]1(C)CCC[C@@]2(C)CC 2356390322 YAYIOONAOTUZAZ-XRXFAXGQSA-N 286.503 6.698 30 1 CKEF CCC=CC[C@@H]1O[C@@H]1CC=CCCCCCCCC 2356463944 RSWYJAMVUDLFEQ-ZWKOTPCHSA-N 264.453 5.807 30 1 CKEF C=C1CC[C@@H]2C(C)(C)CCC[C@]2(C)[C@@H]1CCC(C)=CCO 2356634859 NERNKRPBSOBEHC-QWFCFKBJSA-N 290.491 5.504 30 1 CKEF C=C(C)/C1=C/C=C(\C)CC/C=C(\C)C[C@H]2C=C(CC1)C(=O)O2 200029025 KGUUUDYKWYRRMZ-HKTIHUPWSA-N 298.426 5.197 30 1 CKEF C=C(C)[C@@H]1CC[C@@]2(C)C(=C(C)C=C3CC[C@H]4CC[C@]32C4)C1 2356437911 MCMWKWRONDAWIK-JWWGGVBKSA-N 282.471 6.206 30 1 CKEF C=C(C)[C@@H]1CC=C(C)CCC=C(C)CC(=O)C[C@H](C)CC1 2356484837 JIEJHFSIWZFZPM-RTBURBONSA-N 288.475 6.021 30 1 CKEF C=C[C@]1(C)C[C@@H]2CC=C3[C@H](CCCC3(C)C)[C@@]2(C)[C@H](O)C1 14687990 BSZUQZDCLPAXFZ-BEUFEYIVSA-N 288.475 5.112 30 1 CKEF CCCCCCCCCCCCCCC[C@H](CC)CCC 82189149 LMKPWTVDPGYDOC-OAQYLSRUSA-N 296.583 8.294 30 1 CKEF biogenic,in-vitro C=C[C@@H](C)CC[C@@H]1[C@@]2(C)CCCC(C)(C)[C@@H]2CC[C@@]1(C)O 147764815 KKTBXRFTXPLJNN-FPPGBKCQSA-N 292.507 5.582 30 1 CKEF CC(C)CCC[C@H](C)CCC[C@H](C)CCCCC=O 238780926 UTAMACDSDSDLHB-MSOLQXFVSA-N 268.485 6.015 30 1 CKEF C=CC=CCCCCCCCC=CCCCCCC 2356330339 IIVXTTARMAJIDL-UHFFFAOYSA-N 262.481 6.986 30 1 CKEF CCCCCCC[C@H](C)CCC[C@H](C)CCCCCC 85644960 YCQYIDLJKKSMIJ-UXHICEINSA-N 282.556 7.760 30 1 CKEF CCCCCCCC(=O)CCCCC[C@H](O)CCCC 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298.492 5.771 30 1 CKEF CCCCCCCCc1ccc(CCc2cccnc2)cc1 103275284 RYRWVHZXFOGUSD-UHFFFAOYSA-N 295.470 5.770 30 1 CKEF CCCCCCCCC[C@H](CCC)c1ccccc1 111335651 RZGVZPAWCGDMCK-SFHVURJKSA-N 260.465 6.711 30 1 CKEF CCCCCCCC(=O)OC[C@@H](C)CCCC(C)C 169622381 QLVHYLFZYNWOCF-INIZCTEOSA-N 270.457 5.353 30 1 CKEF C[C@H](C#N)c1c(-c2ccccc2)[nH]c2ccc(F)c(Cl)c12 587629995 COYLLDSQASEXSD-SNVBAGLBSA-N 298.748 5.254 30 1 CKEF CCCCCC=CCC=CCCCCCCC=O 2356495190 JEBIMSVVDVTZIY-UHFFFAOYSA-N 250.426 5.609 30 1 CKEF C=C1CCC[C@]2(C)CC[C@@]3(O)[C@@H]([C@@H](C(C)C)CC[C@H]3C)[C@@H]12 2356805667 VJMPLXPIDRMPMX-CPPNMTBBSA-N 290.491 5.192 30 1 CKEF C[C@@H]1C=CC(=O)[C@]2(C)CC[C@@H]3[C@@H]4C(C)(C)CC[C@]4(C)C[C@]132 2356378758 VXFNKFSIMARUMG-FZDMHURUSA-N 286.459 5.010 30 1 CKEF CCC(=O)C=CC=C(C)C=CC=CC=Cc1ccccc1 2356402984 WVVOWIXJRSEXOC-UHFFFAOYSA-N 278.395 5.294 30 1 CKEF C=C(C)[C@@H]1CC[C@]2(C)C[C@@H]3O[C@]3(C)CCC=C(C)CC[C@H]12 2356504062 DAWVJYSOOMMDRV-PXTPFGJHSA-N 288.475 5.663 30 1 CKEF C=CCCCC/C=C\C#CCCCCCCCC(=O)OC 14616251 VHHWFPDVAWTGDX-HJWRWDBZSA-N 290.447 5.196 30 1 CKEF CCCCCCC/C=C\C[C@@H]1CCC[C@@H]2CCCN12 42784641 KUOHEKAUFRUGAR-MHEJJFAZSA-N 263.469 5.310 30 1 CKEF CCCCCCCCCC/C=C/CCCCC(=O)O 115798226 VQEVXOWSSYAKJT-VAWYXSNFSA-N 268.441 5.718 30 1 CKEF CCCCCCCCCCC/C=C/C(=O)N1CCCCC1 214557383 JHTMREUWFVSSNP-DTQAZKPQSA-N 293.495 5.476 30 1 CKEF C=C[C@@]1(C)CC[C@H]2C(=CC[C@@H]3[C@@](C)(CO)CCC[C@]32C)C1 14656598 DUEINKIQNGZKPL-YHDCXSKOSA-N 288.475 5.114 30 1 CKEF C=C[C@@]1(C)C=C2CC[C@H]3C(C)(C)CCC[C@@]3(C)[C@@H]2CC1 100780806 XDSYKASBVOZOAG-BWPNAZKDSA-N 272.476 6.142 30 1 CKEF endogenous,in-man C=C(C)[C@H]1CC/C(C)=C/CC/C(C)=C\CC/C(C)=C/[C@H]1O 238740328 AZUVBPVDRHGGEP-MUUPSLHQSA-N 288.475 5.733 30 1 CKEF C=C(C)[C@H]1CC[C@@]2(C)C[C@H]3O[C@@]3(C)CC/C=C(\C)CC[C@H]12 238776289 DAWVJYSOOMMDRV-FMJCKAJHSA-N 288.475 5.663 30 1 CKEF C=C1CC[C@@H]2C(C)(C)CCC[C@@]2(C)[C@H]1C=CC(C)=CC 2356582674 SYAHDJQSGXVSDM-NSHGMRRFSA-N 272.476 6.308 30 1 CKEF C=C/C(C)=C/C[C@H]1C(=C)CC[C@H]2C(C)(C)C(=O)CC[C@]12C 85994034 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1911586363 ZGIVKNQOHUTPEZ-UHFFFAOYSA-N 261.453 5.690 30 1 CKEF CCCCCCCCCCCC=C=C[C@@H]1C[C@@H]1C(=O)O 2356510989 UJLCTWQAXHCCFC-IIZJFRANSA-N 278.436 5.339 30 1 CKEF CCCCCCCCCC[C@H](CC)C(=O)CC(C)=O 85734152 UWJUDBRYYHRLAO-INIZCTEOSA-N 268.441 5.092 30 1 CKEF CCCCO/N=C(C)\C=C\[C@@H]1C(C)=CCCC1(C)C 103215425 RZBLAEDHVXNGPL-QNSZNTRWSA-N 263.425 5.118 30 1 CKEF CCCCCCCc1c(C)nc2cccc3c2c1CC3 587213661 LXJCCPVJSNZRLF-UHFFFAOYSA-N 267.416 5.155 30 1 CKEF CC1=CC[C@@H]2[C@H](C(C)C)CC[C@@]2(C)C[C@@]23O[C@]2(C)CC[C@@H]13 1857573550 UWVSQSHPNXDMGY-GXUNQHPWSA-N 288.475 5.353 30 1 CKEF C=C(C)[C@@H]1CC[C@]2(C)C=C[C@H](C)CC[C@@H]3O[C@]3(C)CC[C@H]12 2356796058 MTLRNGHCXWMGRJ-XHYRXIGBSA-N 288.475 5.519 30 1 CKEF CCCCCCCCC/C=C\C/C=C/CC(=O)O 238775594 SWDYIXUKRCAISA-SEGPTZFDSA-N 252.398 5.104 30 1 CKEF CCCCCCCCCCCCC[C@@H]1CC(=O)O1 95554106 UCCQNGRDIUICDR-OAHLLOKOSA-N 254.414 5.003 30 1 CKEF CC(C)=CCC=C(C)[C@@H]1CC[C@]2(C)C[C@@H]3O[C@]3(C)CC[C@@H]12 2356570947 ASQCCLQPLZWFHT-WKWVNEEDSA-N 288.475 5.663 30 1 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HKKVDNISVWESHU-OJROSNHMSA-N 250.426 5.321 30 1 CKEF C=CCCCCCCCCCCC/C=C\CCCC 85599360 MYTTWBLCPBFMFR-BENRWUELSA-N 264.497 7.210 30 1 CKEF in-vitro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in-vitro CCCCCCCC/C=C\C/C=C\C/C=C\CCO 96095601 UVNRLSCOYBEJTM-YOILPLPUSA-N 264.453 5.568 30 1 CKEF C=C(C)[C@@H]1/C=C(\C(C)C)CC/C(C)=C/CC[C@H](C)CC1=O 137418590 ZJQBKSBFISFIPH-MIARYXJYSA-N 288.475 5.877 30 1 CKEF CCCCCCCCCCCCCCCC[C@H](C)CO 147997252 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CJZROCCAPJVVQO-UHFFFAOYSA-N 294.423 5.203 30 1 CKEF C#CCSC(=O)/C=C(C)/C=C/C[C@@H](C)CCCC(C)C 29316787 YFQHQLGIMANFLM-PBGROSLGSA-N 292.488 5.234 30 1 CKEF CC/C=C\C=C/CCCCCCCCCCCC=O 59725608 FBDDFYNEFSLFGI-OUPQRBNQSA-N 264.453 5.999 30 1 CKEF C=C[C@]1(C)CC[C@@]2(C)[C@@H]3CCCC(C)(C)C3=C[C@@H]1[C@@H]2C 64633838 LVOPFKOBFNNZTP-DSEDUUINSA-N 272.476 5.997 30 1 CKEF in-vitro C=C(CCCC(C)C)[C@H](CCC(C)C)CC[C@@H](C)CC 85644519 UROIZIFJDJUDNY-AZUAARDMSA-N 280.540 7.248 30 1 CKEF C=CC(=C)CC[C@H]1C(=C)CC[C@H]2C(C)(C)[C@@H](O)CC[C@]12C 95912111 BTNDADFGUPCRMW-CGBFIWBNSA-N 288.475 5.278 30 1 CKEF biogenic,in-vitro CC/C=C\C/C=C\C[C@H]1O[C@H]1CCCCCCCC 169622806 ZKCKHRAPIWMJMM-HULPXVQOSA-N 264.453 5.807 30 1 CKEF CC1=CC[C@@H]2[C@H](C(C)C)CC[C@@]2(C)CC2=C(C)C(=O)C[C@@H]12 238748867 INDQHMQHKNSFDS-YTXYEVPYSA-N 286.459 5.321 30 1 CKEF C=C[C@@]1(C)CC[C@H](/C(C)=C\C=C\C(C)(C)O)C[C@@H]1C(=C)C 238785868 PGZCBHXBAUSEPY-MVWGTRBTSA-N 288.475 5.445 30 1 CKEF CCCCCCC=CC=C[C@H]1CCC[C@H]2CCCN21 2356408384 DQWGZHFKRYCJOQ-ROUUACIJSA-N 261.453 5.086 30 1 CKEF CCCCCCCCCCCC[C@H](O)C=CCCC(=O)O 2356605803 SCZSILIHRULXII-KRWDZBQOSA-N 298.467 5.079 30 1 CKEF CCCCCCCCCCCCCCC[C@H](O)CCO 60296818 BQSIVPZTNQHZOI-SFHVURJKSA-N 286.500 5.211 30 1 CKEF CCCCCCCCCCCC(=O)NC[C@@H](C)CC 474602133 AKCDAPIBMHWMTN-INIZCTEOSA-N 269.473 5.070 30 1 CKEF CCCCCCCCCc1[nH]c2ccccc2c(=O)c1C 73163200 WXEMUKVRWINVJS-UHFFFAOYSA-N 285.431 5.130 30 1 CKEF C=C(C)[C@@H]1C/C=C(/C)CC/C=C(/C)CC/C=C(/C)CC1 85884026 VWSPQDDPRITBAM-OGLCFNMDSA-N 272.476 6.762 30 1 CKEF CC#CCCCCCCCc1nc2ccc(C)c(C)c2[nH]1 587957299 VSYGUJMCXOLAER-UHFFFAOYSA-N 282.431 5.086 30 1 CKEF CCCCCCCCCSC(=S)Nc1ccccc1 43411570 WWMHHLTXVCUWTC-UHFFFAOYSA-N 295.517 5.867 30 1 CKEF C=CC[C@H](c1ccccc1)c1c(O)ccc2ccccc12 103172568 WOQLUFYRGPASBH-QGZVFWFLSA-N 274.363 5.253 30 1 CKEF CCCCCCCC/C=C\C/C=C\C[C@@H]1O[C@@H]1CC 148864285 YBICCWVMVPFDAY-BXILTSMYSA-N 264.453 5.807 30 1 CKEF C=C[C@](C)(CCO)[C@@H]1C(=C)CC[C@@H]2C(C)(C)CCC[C@]12C 2356623373 FZKQLBVGTCCWMH-BWPNAZKDSA-N 290.491 5.360 30 1 CKEF C=CCCCCCCC[C@H]1CC[C@H](CCCCC=C)N1 5157703 YCQNSAJAZIVRFR-OALUTQOASA-N 277.496 5.770 30 1 CKEF biogenic,in-vivo C=C/C(C)=C/C[C@H]1C(=C)CC[C@@H]2C(C)(C)[C@@H](O)CC[C@]12C 85994028 QSFSRHYSSAIFJK-YTGBDUCUSA-N 288.475 5.278 30 1 CKEF CC1=CCC[C@]2(C)O[C@@H]2C[C@@]2(C)CCC(=C(C)C)[C@@H]2CC1 2356442398 ASMOKPSATRQJPP-NMLBUPMWSA-N 288.475 5.807 30 1 CKEF C=C1CCC[C@@H]2[C@]1(C)CC[C@H](C)[C@@]2(C)CCC(C)=CCO 2356449036 YMTCQCWFYXOJRY-VNTMZGSJSA-N 290.491 5.504 30 1 CKEF C=CCCCCCCC[C@@H]1CC[C@@H]2CC[C@@H](C=CC)N12 2356478419 CZRRGBQGVWOIRS-QRVBRYPASA-N 275.480 5.475 30 1 CKEF C=C(CCC=C(C)C)[C@H]1CC=C(C)CCC=C(C)CC1 2356682295 QJPIQRLACCGVNH-HXUWFJFHSA-N 272.476 6.762 30 1 CKEF C=C[C@](C)(CCC=C(C)C)CC(=O)c1c(C)cccc1O 14614567 BPSSOBRNDNFUOQ-LJQANCHMSA-N 286.415 5.212 30 1 CKEF CCCCCCCCCCCCCC[N+](C)(C)CCCC 36177043 KWVRYCVTRIVEIP-UHFFFAOYSA-N 298.579 6.564 30 1 CKEF Cc1cc(C)cc(-c2[nH]c3cc(Cl)c(F)cc3c2C#N)c1 587631248 YRBZGECIPFTWMN-UHFFFAOYSA-N 298.748 5.116 30 1 CKEF CC#CCCCCCCCCCCCCCCC(=O)O 33822226 HLBSMZODWAXZCR-UHFFFAOYSA-N 280.452 5.556 30 1 CKEF C[C@H]1CCC[P@@+](Cc2ccccc2)(c2ccccc2)CC1 73259035 DSICDDPAKCYBEI-GHTZIAJQSA-N 297.402 5.350 30 1 CKEF CCCCCCCCCC/C=C\C/C=C\CCC(=O)O 85591968 QKPOMFIVYLKGDE-HDXUUTQWSA-N 280.452 5.885 30 1 CKEF CCCCCCC[C@@H](C)CCCCCCCCCC(=O)O 102181272 XBRZUTLRIVYERP-GOSISDBHSA-N 298.511 6.579 30 1 CKEF CCCCCCCCCCC[C@H]1CC=C/C(=C\C(C)=O)O1 473111390 ZDOQVHVFJATDRW-BDBAMQCISA-N 292.463 5.725 30 1 CKEF C=C1CCC2=C3[C@@H](CC[C@H]2C)[C@H](C)C(=O)[C@H](C=C(C)C)[C@@H]13 13358682 CLCADWBFWGLAJS-QGULPLLQSA-N 284.443 5.097 30 1 CKEF Cl/C(=N\Nc1cc(Cl)cc(Cl)c1)c1ccccc1 27617314 RFQRWMIRZZBTPB-AQTBWJFISA-N 299.588 5.006 30 1 CKEF CC(C)=C[C@H]1C[C@H](C)[C@H]2CC[C@](C)(C#N)[C@H]3CCC(C)=C1[C@@H]32 40395530 RBUNFUSZHCJPFL-GIADRTNZSA-N 297.486 5.891 30 1 CKEF CCCCCCCCC[C@H](C)CI 140215477 RTWBFGUVCAVDFO-LBPRGKRZSA-N 296.236 5.198 30 1 CKEF in-vitro C=C[C@@H]1CC[C@@H]2[C@@H]3CCC4=CC(=O)CC[C@]4(C)[C@H]3CC[C@]12C 2356552803 CSFSHOOQUIPHRO-WCPWDIOKSA-N 298.470 5.321 30 1 CKEF C=C1CC[C@@H]2[C@@H]1[C@@H]1[C@H]([C@@H](C)CC(=O)CC(C)C)CC[C@]12C 2356621664 MJVREFNGXLSWKW-SPBYYHCPSA-N 288.475 5.256 30 1 CKEF CCC/C(C)=N/Nc1nc(-c2ccc(Cl)cc2)cs1 169338729 NMPLPXMMTZMOPD-LICLKQGHSA-N 293.823 5.051 30 1 CKEF C=CCCCCC/C=C\CC(=O)CCCCCC 199494303 KMCMOPKLVWWDPS-OWBHPGMISA-N 250.426 5.609 30 1 CKEF CC[C@@H](C)c1ccc2[nH]c(-c3ccccc3)c(CC#N)c2c1 587642369 LQQDVUJTXSLAFQ-CQSZACIVSA-N 288.394 5.414 30 1 CKEF O=C(/C=C/c1c2ccccc2cc2ccccc12)c1ccc[n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in-vitro C=C/C(C)=C/C[C@@H]1C(=C)CC[C@@H]2C(C)(C)[C@@H](O)CC[C@]21C 238731790 QSFSRHYSSAIFJK-FFCBOCTDSA-N 288.475 5.278 30 1 CKEF C=C1C[C@]23CC[C@@H]1C[C@H]2[C@]1(C)CCCC(C)(C)[C@H]1CC3 102945502 LFRRHLVVLXYROS-HPUSYDDDSA-N 272.476 5.975 30 1 CKEF C=C[C@]1(C)C=C2CC[C@H]3C(C)(C)CCC[C@@]3(C)[C@@H]2CC1 104878449 XDSYKASBVOZOAG-UMGGQSCQSA-N 272.476 6.142 30 1 CKEF biogenic,in-vitro C=C1C=C[C@H]([C@@H](C)CC(=O)C=C(C)C)CCC(C)=CCC1 2356417151 SBHIRCGPIWGBMU-OALUTQOASA-N 286.459 5.797 30 1 CKEF C=C[C@]1(C)CC[C@H](C(C)=CC=CC(C)(C)O)C[C@@H]1C(=C)C 2356427871 PGZCBHXBAUSEPY-NLWGTHIKSA-N 288.475 5.445 30 1 CKEF C=C1CC[C@@H]2C(C)(C)CCC[C@]2(C)[C@H]1C[C@H](C)CC(=O)O 2356537775 FZQHDLCXJGRXJE-HWLIBYHHSA-N 292.463 5.286 30 1 CKEF C=CC[C@H](O)C(C)=C[C@@H](C)CCC(=C)Cc1ccccc1 2356789174 CZLPMTFBHMLOHX-JXFKEZNVSA-N 284.443 5.085 30 1 CKEF CCCCCCCCCCCCC[C@H]1CC[C@H](CC)N1 73337118 DRZNECYKTJYDIR-OALUTQOASA-N 281.528 6.218 30 1 CKEF C=C1CC[C@H]2[C@@](C)(CC[C@@H]3C[C@@]32C)[C@H]1CC/C(C)=C/CO 139046322 JFSXZUBJQWDKAA-RPTASCGTSA-N 288.475 5.114 30 1 CKEF CCCCCCCCCCCC=C=CCCCC(=O)O 38139456 YXJXBVWHSBEPDQ-UHFFFAOYSA-N 280.452 5.874 30 1 CKEF in-vitro CCCCCCCCCCCC#CCCCCC(=O)OC 44352263 BQMKDXICMFVULI-UHFFFAOYSA-N 294.479 5.644 30 1 CKEF C=C1C[C@@]23CC[C@@H]4C(C)(C)C(=O)CC[C@]4(C)[C@H]2CC[C@H]1C3 2356419798 DXBYXEPNCYWKNR-OIUNUZSUSA-N 286.459 5.154 30 1 CKEF CCC=CC[C@@H]1O[C@H]1CC=CCCCCCCC 2356478558 IRQMBAZFZUBVIJ-IRXDYDNUSA-N 250.426 5.417 30 1 CKEF C=C1CC[C@@H]2C(C)(C)[C@H](O)CC[C@]2(C)[C@@H]1CCC=C(C)C 2356490718 SWJDLCQNNNRLCD-SOAMZJECSA-N 290.491 5.502 30 1 CKEF C=C[C@]1(C)CC[C@@H](C(C)=CCCC(=C)C)C[C@@H]1C(=C)C 2356687092 DAGCNSBIYQRVRH-VAMGGRTRSA-N 272.476 6.474 30 1 CKEF CC(C)CCC[C@@H](C)CCC[C@@H](C)CCC[C@@H](C)C=O 12495333 IZJRIIWUSIGEAJ-GUDVDZBRSA-N 282.512 6.261 30 1 CKEF endogenous,in-man CCCCCCCCCCCCCC[C@@H](N)CNCC 43860933 CDNCXRTXBJXGIV-GOSISDBHSA-N 284.532 5.014 30 1 CKEF CCCCCCCC/C=C\CCCCCCCCCC=O 59725623 WJLJKNYXWACGHC-KTKRTIGZSA-N 294.523 7.003 30 1 CKEF C=CCCCCC[C@@H]1O[C@H]1CC=CCCCCC 2356413185 QKWIFEQLRBYFGJ-IRXDYDNUSA-N 250.426 5.417 30 1 CKEF CCCCCCCCCCC1=CC(=O)C(=O)c2ccccc21 43100735 ZIMGVHAOESAJCH-UHFFFAOYSA-N 298.426 5.366 30 1 CKEF CCCCCCCCCCCCCn1ccnc1 43845679 BBCHAGTYLQSTCK-UHFFFAOYSA-N 250.430 5.194 30 1 CKEF C=C1C=C2C3(CCCC3)CC[C@@H]3CC=C[C@]4([C@H]1C4(C)C)[C@]23C 2356355890 WKMRPCTUIWAAGC-PBNJOUANSA-N 294.482 6.062 30 1 CKEF C=C1CCC[C@]2(C)CCC3=C(C(C)C)CC[C@]3(C)C[C@@]12O 2356800061 PQDZIRVUXXLAJU-VAMGGRTRSA-N 288.475 5.401 30 1 CKEF CCCCC/C=C\C=C/C(=O)CCCCCCCC(=O)O 27643508 LUZSWWYKKLTDHU-ZYCNLYSJSA-N 294.435 5.064 30 1 CKEF C=CCCCCCCCCc1nnc(Nc2ccccc2)o1 49071165 NVNXDPYKUSCNIK-UHFFFAOYSA-N 299.418 5.272 30 1 CKEF CCCCCCC/C=C/CCC/C=C/CCCC(=O)O 102181892 HRZZKTOXWMPYMT-VQDFZMDMSA-N 280.452 5.885 30 1 CKEF C=CCCCCCCCCCCCCC#CCCC(=O)O 139707812 HRALRUDVSKRSQK-UHFFFAOYSA-N 292.463 5.722 30 1 CKEF C=C1CC[C@@H]2C(C)(C)[C@H](O)CC[C@@]2(C)[C@@H]1CCC=C(C)C 2356490717 SWJDLCQNNNRLCD-MLYOOKFZSA-N 290.491 5.502 30 1 CKEF C=C1CCC(C(C)C)=CC=C(C)CCC=C(C)CC[C@H]1O 2356562986 LYPUKOAEYFNWQS-HXUWFJFHSA-N 288.475 5.733 30 1 CKEF CCCCC/C=C\C[C@@H]1O[C@@H]1CCCCCCCCCC 85947927 JJKUQABYACBLID-MJULWQABSA-N 294.523 6.811 30 1 CKEF C=CC[C@@H](c1ccc(C)cc1)c1c(O)ccc2ccccc12 103172581 ZWGFHQYNRKAOMC-SFHVURJKSA-N 288.390 5.562 30 1 CKEF C=CCCC/C=C\C/C=C\CCCCCCCC(=O)OC 238730975 HBSINXLKYLEHNF-NQLNTKRDSA-N 292.463 5.749 30 1 CKEF C=C1CC[C@@H]2C/C=C(\C)CC/C=C(\C)CC[C@@H]1C2(C)C 238783590 FDBOKUQSBGGGJO-DGDWPOPGSA-N 272.476 6.452 30 1 CKEF C=C(C)[C@@H]1CC[C@]23CC=C[C@H]4CCC[C@@]42C=CC(C)=C3C1 2356364805 ZEAHEGYXHBMKQK-UKAVVXHISA-N 280.455 5.982 30 1 CKEF CC[C@@H](C)c1ccc2[nH]c(CC#N)c(C(C)(C)C)c2c1 587643892 YHNOGDRFGJIARM-GFCCVEGCSA-N 268.404 5.045 30 1 CKEF C=CC(=C)CC[C@@H]1[C@H](C)CC[C@@H]2C(C)(C)[C@H](O)CC[C@@]21C 2356543808 YBXFSYIFNUWIDP-HGJKNBTDSA-N 290.491 5.358 30 1 CKEF C=C1C[C@@]23CC[C@@H]4C(C)(C)CCC[C@@]4(C)[C@@H]2C(=O)C[C@H]1C3 2356692222 OBGDKDRUHRCMHT-DCFGKBGTSA-N 286.459 5.154 30 1 CKEF CCCCCCC/C=C/CC[C@H](C)CCCCC(=O)O 86051446 KDCDZQJNCPPRMH-FVNWOWOISA-N 282.468 5.964 30 1 CKEF C=C(C)[C@H]1CC/C(C)=C/CC/C(C)=C/CC[C@@]2(C)O[C@@H]2C1 238753775 KEOMEGAHKSPEBP-GRQYNHKGSA-N 288.475 5.973 30 1 CKEF CCCCCCCCC/C=C\CCC(=O)OCC 238765955 IQQBJPFABNIERI-SEYXRHQNSA-N 254.414 5.027 30 1 CKEF CC(C)=CCC1=C(CC=C(C)C)C(=O)c2ccccc2C1=O 13378299 JDZYPJCOQZSKSE-UHFFFAOYSA-N 294.394 5.075 30 1 CKEF C=CC[N+](C)(CC=C)CCCCCCCCCCCC 38158035 XODGXHBUNWQYGF-UHFFFAOYSA-N 280.520 5.726 30 1 CKEF C/C=C(\C)C(=O)c1ccc(CCCCCCC)cc1 14968974 SURNDRIKMMAISD-PJQLUOCWSA-N 258.405 5.348 30 1 CKEF CCCCCCCCCCC[C@@]1(C)SC(=O)[C@@H](C)C1=O 53151256 ZRYCZUSBOKDGGM-WMLDXEAASA-N 298.492 5.145 30 1 CKEF C=C[C@@]1(C)CC[C@@H]2C(=CC[C@H]3C(=C)CCC[C@@]32C)C1 86048532 BDOVQRGWITVTSL-RDGPPVDQSA-N 256.433 5.672 30 1 CKEF C=CCCCCC[C@H]1O[C@H]1CC=CCCCCC 2356413186 QKWIFEQLRBYFGJ-SJORKVTESA-N 250.426 5.417 30 1 CKEF CCCCC=CC=CC#CCCCCCCCC(=O)O 2356596721 ONYHYSLZNLJFHX-UHFFFAOYSA-N 276.420 5.108 30 1 CKEF C=C[C@]1(C)CCC2=C(CC[C@H]3C(C)(C)CCC[C@]23C)C1 85774018 OROJBMPJDLLRFD-DFQSSKMNSA-N 272.476 6.286 30 1 CKEF C=C(C)[C@@H]1CC(=O)[C@]2(C)C/C=C(\C)CC/C=C(/C)CC[C@@H]12 169335442 RNHJVFUOEQKJEA-ATZMLRGDSA-N 286.459 5.631 30 1 CKEF C=C(C)[C@@H]1CC[C@]2(C)CC[C@H](C)[C@]3(CC=C(C)CC3)[C@H]12 2356342103 IIMQNFIZNZKEMW-UHZRXMQZSA-N 272.476 6.142 30 1 CKEF CCCCCC=CC(=O)CCCCCCCCCC(=O)O 2356674443 ITRZNVYXOFOBRV-UHFFFAOYSA-N 296.451 5.288 30 1 CKEF CC(=C=CC(C)(C)C=Nc1ccc(C)cc1)CCC=C(C)C 2356730271 SJGFTIJZOHXMIR-UHFFFAOYSA-N 295.470 6.571 30 1 CKEF C=C1CC[C@@H]2[C@H](C)CCC[C@]2(C)[C@H]1CC/C(C)=C/C(=O)O 238733072 PVBBVDNCRVWJJA-YCKYUSRMSA-N 290.447 5.206 30 1 CKEF CCCCCCC[C@H](C)C[C@H](C)C[C@@H](C)C(=O)OC 238772086 KSMQKHAGUICXMV-HRCADAONSA-N 270.457 5.208 30 1 CKEF Cc1cc(Cl)cc2c(C#N)c(C3CCCCC3)[nH]c12 587624801 SDLGLAWOBKOCLO-UHFFFAOYSA-N 272.779 5.049 30 1 CKEF C=C(C)[C@@H]1C=CC(C)=CCC=C(C)CCC=C(C)CC1 2356686087 RLAFZRBJBUMWGN-HXUWFJFHSA-N 270.460 6.538 30 1 CKEF CCCSc1ccc2[nH]c(/N=C/c3ccco3)cc2c1 1660559 XXJZMLLUAMMNPN-GZTJUZNOSA-N 284.384 5.014 30 1 CKEF C=C1C[C@@]23CC[C@@H]4C(C)(C)CCC[C@]4(C)[C@H]2CC[C@@H]1C3 95884309 ONVABDHFQKWOSV-RISVGRPXSA-N 272.476 5.975 30 1 CKEF Oc1ccccc1/C=N/c1ccc(C2CCCCC2)cc1 473081778 DGWFNPVZPGNRQW-XSFVSMFZSA-N 279.383 5.191 30 1 CKEF CCCCCCCCCCCOCCc1scnc1C 653697832 OXVQTRMTXALEFR-UHFFFAOYSA-N 297.508 5.541 30 1 CKEF CCC/C=C\CCCCCCCCCCCCCCC 200494186 JNJORAHCAOYOLJ-CLFYSBASSA-N 280.540 7.824 30 1 CKEF CCCCCCCCCCCCC[C@H]1C=C(C)C(=O)O1 299826516 GVPNXDCCCBXHMF-KRWDZBQOSA-N 280.452 5.559 30 1 CKEF C=C(C)[C@@H]1CC=C(C)CCC=C(C)CCC=C(C)[C@@H](O)C1 2356582943 CVITZXGTBCOBPR-UXHICEINSA-N 288.475 5.733 30 1 CKEF C=C(C)C=CC=C(C)[C@@H]1CC[C@]2(C)CC(=O)[C@H](C)CC[C@@H]12 2356635995 RONXCTFPFNBKGV-DOADOZAASA-N 286.459 5.487 30 1 CKEF C=C[C@]1(C)C[C@H](C)[C@@]23CCC[C@@H]2[C@](C)([C@@H](O)C1)[C@H](C)CC3 2356846709 OPVUAGGKMBXOGV-JSUHAEARSA-N 290.491 5.192 30 1 CKEF C=C(CCC=C(C)C)[C@@H]1CCC=C(CCC=C(C)C)C1 85489464 OIRFZVJHADZVMD-HXUWFJFHSA-N 272.476 6.762 30 1 CKEF endogenous,in-man CCC[C@H](C)c1[nH]c2ccc([C@H](C)CC)cc2c1C#N 587641826 KFDOPALCIJVJOU-OLZOCXBDSA-N 268.404 5.457 30 1 CKEF C=C1CC[C@@H]2[C@H]1C[C@]1(C)CC[C@@H](C(C)C)[C@H]1C[C@H]1O[C@]12C 1857564571 LYPLWDAACKFSKJ-UQEPQNNOSA-N 288.475 5.209 30 1 CKEF C=C[C@]1(C)CC[C@@H](C(C)=CC=CC(C)(C)O)C[C@H]1C(=C)C 2356427873 PGZCBHXBAUSEPY-WSTZPKSXSA-N 288.475 5.445 30 1 CKEF C=C[C@@H]1CC[C@@H]2[C@@H]3CC[C@H]4CC(=O)C=C[C@]4(C)[C@H]3CC[C@]12C 2356603504 JIFKGXKDITUDPD-ZWRWFBNESA-N 298.470 5.176 30 1 CKEF CC(C)C1=C[C@@H]2C=C[C@@H]3[C@](C)(C=O)CCC[C@]3(C)[C@H]2CC1 2356634257 CQHXWPMUHGVWES-UHZRXMQZSA-N 286.459 5.176 30 1 CKEF CCCCCCCCC/C=C\CCCCCCCC(=O)O 97654294 YOKHLRHWEXTWJR-KHPPLWFESA-N 296.495 6.499 30 1 CKEF in-vitro C=CCn1c(O)c(/N=N/c2ccccc2C)c2ccccc21 13555014 OAIQLKJGMQPVGH-FMQUCBEESA-N 291.354 5.257 30 1 CKEF CCCCCCCCC#CCCCCCC[C@@H](F)C(=O)O 73370138 VAELZRLESYJUQL-QGZVFWFLSA-N 298.442 5.504 30 1 CKEF C=CC(=C)CC[C@H]1C(=C)CC[C@@H]2C(C)(C)CCC[C@]12C 85599104 KYLKKZSVPLUGCC-NLWGTHIKSA-N 272.476 6.308 30 1 CKEF C=CCCCCCCCC=CC[C@H](O)[C@H](O)CCCCC 2356524847 DJFPWUBTBKGAGA-MOPGFXCFSA-N 296.495 5.152 30 1 CKEF CCCCC=CC#CCCCCCCCCCC(=O)O 2356551897 WHEVOQUCZMDNBG-UHFFFAOYSA-N 278.436 5.332 30 1 CKEF CCCCCCCC=CC=CC=CC=CCCC(=O)O 2356595682 PORPGKSIWVNTJC-UHFFFAOYSA-N 276.420 5.437 30 1 CKEF C=C(C)C1=CC[C@]2(C)[C@@H]1CC[C@H](C)[C@@H]1CC[C@@H](C)C[C@@H]12 2356816177 CYNMVKBMOIZMPF-BOTNRJTISA-N 272.476 5.997 30 1 CKEF C#CCSC(=O)/C=C(C)/C=C/C[C@H](C)CCCC(C)C 29316782 YFQHQLGIMANFLM-DVAVMXAFSA-N 292.488 5.234 30 1 CKEF CCCCCCCCCCC/C=C/CCCC(=O)O 207556870 YBVKMYSATFEOME-OUKQBFOZSA-N 268.441 5.718 30 1 CKEF C=C1CC[C@@H]2O[C@]2(C)CC[C@](C)(CCC=C(C)C)[C@@H]2C[C@H]12 2356590659 XRFZADFFCSJKRS-SWBPCFCJSA-N 288.475 5.663 30 1 CKEF C=C(C)[C@@H]1CC(=O)[C@@]2(C)CC=C(C)CCC=C(C)CC[C@@H]12 2356627661 RNHJVFUOEQKJEA-BJLQDIEVSA-N 286.459 5.631 30 1 CKEF CCCC#CCCCCCCCCCCCCO 32226451 DZJZIJZUKAATIV-UHFFFAOYSA-N 252.442 5.073 30 1 CKEF endogenous,in-man CCCCCCCC[C@@H](O)/C=C/CCCCCCC(=O)O 85592805 RXBFKZNLXJKTLQ-OKACTXMXSA-N 298.467 5.079 30 1 CKEF C=C(C)[C@H]1C/C=C(/C)CC/C=C(\C)CC/C=C(\C)CC1 105383928 VWSPQDDPRITBAM-IMAXQLDFSA-N 272.476 6.762 30 1 CKEF C=C[C@]1(C)CC[C@H](C(=C)C)[C@@H](c2ccc(O)cc2)C1 13414476 DUTYKARAVUNUBK-KZNAEPCWSA-N 256.389 5.044 30 1 CKEF C=CC=CCC=CCC=CCCCCCCCCC 2356428614 RDRCFYBWAIFESA-UHFFFAOYSA-N 260.465 6.762 30 1 CKEF C=N[C@]1(C)CC[C@@H]2[C@H](C)C[C@]3(C=CC(=C)C)[C@H](C)CC[C@H]1[C@@H]23 2356681739 FERSXRCCIOZICY-UGUVDVTISA-N 299.502 5.677 30 1 CKEF CCCCCCCC/C=C/[C@@H](O)CCCCCCC(=O)O 85885926 JEXIZLHRWZNJIX-GWKQRERASA-N 298.467 5.079 30 1 CKEF C=C[C@@]1(C)CC[C@@H](C(=C)CC[C@@H]2C(=C)CCCC2(C)C)O1 238747602 OMVPHRHFBKOFLG-HBFSDRIKSA-N 288.475 5.829 30 1 CKEF CCCCCCCCC#CCCCC[C@H]1CCC(=O)O1 44351285 VIWMGWIEJXSVHT-KRWDZBQOSA-N 278.436 5.006 30 1 CKEF CCCCCCCCCCC[C@@H]1C[C@H]1CCCCC(=O)O 70455440 HONOYUAERSMCAP-QZTJIDSGSA-N 296.495 6.188 30 1 CKEF biogenic,in-vitro C=C1CCC[C@]2(C)CC=C3C(C(C)C)=CC[C@@]3(C)C[C@@]12O 85661162 IENFPAQBPUQGPF-XUVXKRRUSA-N 286.459 5.177 30 1 CKEF C=C(C)[C@@H]1C/C=C(\C)CC/C=C(/C)CC/C=C(/C)CC1 141105536 VWSPQDDPRITBAM-LWASFLGHSA-N 272.476 6.762 30 1 CKEF C=C(C)[C@H]1CC/C(C)=C\CC/C(C)=C/CC/C(C)=C\[C@H]1O 206878249 AZUVBPVDRHGGEP-VBZHEKHASA-N 288.475 5.733 30 1 CKEF C=C1CC[C@@H]2C[C@@H]3[C@H](C)C[C@@H](O)[C@]13[C@]2(C)CCC=C(C)C 238768900 TUJPCBFPRKBLRN-PJACHSRJSA-N 288.475 5.112 30 1 CKEF C=C(C)[C@@H]1CC=C(C)C[C@@H]1c1c(O)cc(CCC)cc1O 2356376210 ORIYPICUSOGUOA-HOTGVXAUSA-N 286.415 5.066 30 1 CKEF C=C(C)[C@@H]1CC[C@H](C)[C@@H]2CCC(=C)[C@@H]3CC[C@@]3(C)C[C@@H]21 2356766996 KNENAWZGSAWZPV-CYQMMEFHSA-N 272.476 5.997 30 1 CKEF C=C(C)C=C[C@]12C[C@H](C)[C@@H]3CC[C@](C)(C#N)[C@H](CC[C@H]1C)[C@H]32 2356337232 SSFDJDHBZVHNKM-LQDXZBFHSA-N 297.486 5.747 30 1 CKEF CCCCCCCC=CCC=CC[C@@H]1O[C@@H]1CC 2356428726 VDCIZKQRWVMECW-SJORKVTESA-N 250.426 5.417 30 1 CKEF C=C(C)[C@@H]1CC[C@]2(C)C[C@@H](O)C(C)=CCCC(C)=CC[C@H]12 2356439279 LREHNCVBQXWFSA-MTQWCTHYSA-N 288.475 5.423 30 1 CKEF C=C[C@@]1(C)CC[C@]2(C)C3=CC[C@@H](O)C(C)(C)[C@H]3CC[C@@H]2C1 14688001 DDMHIOKPMUMJDG-UPSZCFJUSA-N 288.475 5.112 30 1 CKEF CCCCCCCCCNc1ccccc1-c1ccccc1 43640849 FWQFBAHKZAFXSW-UHFFFAOYSA-N 295.470 6.516 30 1 CKEF C=C(C)c1ccc2c(c1)CC[C@@H]1C(C)(C)CCC[C@]21C 85558342 IDIWSEBYUXIQLJ-UYAOXDASSA-N 268.444 5.750 30 1 CKEF biogenic,in-vitro C=C(C)[C@@H]1CC=C(C)CCC=C(CO)CCC=C(C)CC1 2356575699 XRDSQKYTQNTJEH-FQEVSTJZSA-N 288.475 5.734 30 1 CKEF CCCCCCC=CCCCCCCC(=O)C=CC(=O)O 2356636275 BFEZTQZQUDAAIS-UHFFFAOYSA-N 294.435 5.064 30 1 CKEF CCCCCCCCCCCCCCCC(=O)C(=O)O 82204962 QPDMNFFZLIUVIV-UHFFFAOYSA-N 284.440 5.121 30 1 CKEF CCCCCCCCCC[C@]1(C)SC(O)=C(C)C1=O 101055815 GSZUYVOHQSBCMH-INIZCTEOSA-N 284.465 5.381 30 1 CKEF C=C1CCC=C(C)CC[C@](C)(CCC=C(C)C)[C@@H]2C[C@@H]12 2356506959 SLLJXDWDIIKACA-ZCNNSNEGSA-N 272.476 6.452 30 1 CKEF CCCCCCCCCCCC=C=C[C@H]1C[C@H]1C(=O)O 2356510991 UJLCTWQAXHCCFC-ZMKYACIDSA-N 278.436 5.339 30 1 CKEF CCCCCCCCC[C@@H]1O[C@H]1CCCCCCCC 146259414 IDEQNIOEFSEJSA-OALUTQOASA-N 282.512 6.645 30 1 CKEF CCCCCCCCC/C=C\CCCCCCCCCC 169622546 QOJGJKKHTRAFOK-VZCXRCSSSA-N 294.567 8.214 30 1 CKEF C=C1CC/C=C(\C)CCC2=C(C)CC[C@H](CC1)C2(C)C 85854495 SNPPNYAGNBWZCL-WHMKARLCSA-N 272.476 6.596 30 1 CKEF C=C(C)[C@@H]1CC[C@]2(C)/C=C/[C@@H](C)CC/C=C(\C)CC[C@@H]12 238779048 DQSHCYDPVQKJSC-YOXVTXONSA-N 272.476 6.308 30 1 CKEF CCCCCCCC[C@@H]1[C@@H]2C=COc3cccc4c3[C@H]2[C@@H]1C4 2356530040 ANMHTSXDCQBWAR-BMQTXXJKSA-N 296.454 5.845 30 1 CKEF CC(C)C1=CC2=CC[C@H]3[C@@](C)(C=O)CCC[C@]3(C)[C@H]2CC1 43070766 HOFSYSONRIGEAC-VNTMZGSJSA-N 286.459 5.321 30 1 CKEF CCCCCCCCCCCC/C=C\CCC(=O)O 200794776 RYPXZWWLFKJBNN-YPKPFQOOSA-N 268.441 5.718 30 1 CKEF C=C1C[C@@]23CC[C@H]4C(C)(C)CCC[C@@]4(C)C2=CC[C@H]1C3 2356562392 RUTQZFCOTBYTMG-XAMWDVODSA-N 270.460 5.896 30 1 CKEF CCCCCCCCCC[C@@]1(C)SC(O)=C(CC)C1=O 101032107 UZJCHXVLFAKZEB-QGZVFWFLSA-N 298.492 5.771 30 1 CKEF C=C=CCC[C@@H]1CC[C@@H]2[C@@H](CCCC=C)CCC[C@@H]2N1 2356405523 VVRBZUYQHINRQE-MANSERQUSA-N 273.464 5.001 30 1 CKEF C=C(CCCCC)C(=O)Nc1cc(Cl)cc(Cl)c1 29415092 IKJNXIZBMKKOSB-UHFFFAOYSA-N 286.202 5.068 30 1 CKEF CCCCCCC[C@@H](CCC)SCC(=O)C(F)(F)F 103187186 NQYFMZATHAEKIT-GFCCVEGCSA-N 298.414 5.380 30 1 CKEF CCCCCCCCCCOCN1C=CC(=CN=O)C=C1 211532297 WZKOHZRLYHFOLX-UHFFFAOYSA-N 292.423 5.095 30 1 CKEF C=C(C)[C@@H]1CC[C@@H](C)[C@@H]1C[C@@]1(C)CC[C@@H](C(=C)C)[C@@H]1C=O 34173599 ISNOBAWOICRKJL-MPRNQXESSA-N 288.475 5.422 30 1 CKEF C=C[C@@](C)(C/C=C(\C)CCC=C(C)C)CCC=C(C)C 85944767 MFGOTAHWOBKNNU-IAERKFLBSA-N 274.492 7.008 30 1 CKEF endogenous,in-man C=C(C)[C@H]1CC/C(C)=C\CC/C(C)=C\CC/C(C)=C/[C@H]1O 206878343 AZUVBPVDRHGGEP-KSTUAHTASA-N 288.475 5.733 30 1 CKEF C=N[C@@]12CC=C(C)[C@H]3[C@@H]1[C@@H](CC[C@H]2C)[C@@H](C)C[C@H]3C=C(C)C 2356432463 BBWZURJIVMADBA-QSXYEBRMSA-N 299.502 5.677 30 1 CKEF Cc1ccc(-c2csc(N/N=C3/CCCC[C@H]3C)n2)cc1 40424150 OPFWPVHEWFRTHC-YSYRGXBVSA-N 299.443 5.097 30 1 CKEF CCCCCCC/C=C\CCCCCC[C@H]1CCN=C1C 137716504 FWSSLXUYBRZUKY-QJRAZLAKSA-N 291.523 6.725 30 1 CKEF c1ccc([C@H](/N=C2\CCCCCN2)C2CCCCCC2)cc1 169329063 WPMDRRLSAZYHAS-HXUWFJFHSA-N 298.474 5.260 30 1 CKEF C=C(C)CCC[C@@H](C)[C@@H]1CC=C(C)[C@@H]2CCC(C)=C[C@@H]12 238781187 VAEPEPZBSPXQDJ-BTHPGYMESA-N 272.476 6.308 30 1 CKEF O=C1/C(=C/c2ccccc2)CCC/C1=C\c1cccc(F)c1 1857758990 NQMRTQIANCJMJI-PWDIZTEBSA-N 292.353 5.046 30 1 CKEF CCCCC[C@H]1O[C@@H]1CC=CCCCCCCCC(=O)O 2356455648 CCPPLLJZDQAOHD-IAGOWNOFSA-N 296.451 5.096 30 1 CKEF O=C(/C(=C\C1CCCCC1)c1ccccc1)c1ccccc1 103275433 ZJQBDZKOMZFQAC-SILNSSARSA-N 290.406 5.533 30 1 CKEF CCCCCCCCC[C@H]1CC[C@@H]2CC[C@@H](CCC)N12 136757062 PZNMQZIPMQQWKT-QYZOEREBSA-N 279.512 5.923 30 1 CKEF C=CCCCCCCC[C@@H]1O[C@@H]1C[C@@H]1O[C@@H]1C/C=C\CC 140633059 SZXGTAQNVDWRBM-FYRRDQFZSA-N 292.463 5.184 30 1 CKEF C=C(C)[C@H]1CC/C=C/CC/C(C)=C(\C)C[C@@H](C(=C)C)C1 238758680 OPYGHCIMUFZJNR-AIOXGVPESA-N 272.476 6.618 30 1 CKEF C#C[C@H](O)C=CCCCCCCCCCCCCCCC 2356732657 MQUXQBHHZDPZOB-FQEVSTJZSA-N 292.507 6.018 30 1 CKEF C=C1C=C2C(=C(C)[C@H]3CC=C(C)C[C@H]3[C@H]2C(C)C)CC1 59586621 CBAMIIPKRBIWEN-RLLQIKCJSA-N 268.444 5.838 30 1 CKEF biogenic,in-vitro C=C[C@@]1(C)CC[C@H]2C(=CC[C@H]3C(C)(C)[C@@H](O)CC[C@@]23C)C1 95486310 BLRQCWSOICYRPH-TXTPUJOMSA-N 288.475 5.112 30 1 CKEF biogenic,in-vitro CCCCCCCC[C@H](C)CCC[C@H](C)CCC(=O)O 102180705 ISAMPHAHOXYTOP-IRXDYDNUSA-N 284.484 6.044 30 1 CKEF CCCCCCCC[C@@H](CC)CCCCC(=O)O 102181112 WIPVQZGTFMRAOK-OAHLLOKOSA-N 256.430 5.408 30 1 CKEF CCc1ccc(-c2[nH]c3cc(Cl)c(F)cc3c2C#N)cc1 587630603 MKQSQNXQVGDQMN-UHFFFAOYSA-N 298.748 5.061 30 1 CKEF CCCCCCCCC=CCCCCCCCC(C)=O 2356382457 BCGHKURMNAHJEA-UHFFFAOYSA-N 280.496 6.613 30 1 CKEF CCCCCCC=CCC=CCCCCCCCC(=O)O 2356582079 BFXHARLBAGKNRH-UHFFFAOYSA-N 294.479 6.275 30 1 CKEF C=C1CCC[C@@]2(C)C(=C(C)CC[C@H]2O)C=C(C(C)C)CC1 2356689896 DSRPSPNOQNVOPZ-UXHICEINSA-N 288.475 5.567 30 1 CKEF COC(C)(C)CCC[C@H](C)C/C=C/C(C)=C/C(=O)SC 29314517 QNDDEAPHQQOCCX-SIPCROHCSA-N 298.492 5.000 30 1 CKEF CCCCCCCCCCCCCC#CCCC(=O)O 102182405 POMXMOPYYSXRGD-UHFFFAOYSA-N 280.452 5.556 30 1 CKEF C=C1[C@@H](C)CCC2=C(CCCC2)[C@H]1c1cc(O)ccc1O 238777212 ADRPXWNXORCWBK-BUXKBTBVSA-N 284.399 5.038 30 1 CKEF C=C1CCC=C(C)CC[C@@H]2[C@@H]1C[C@@]2(C)CC[C@@H]1OC1(C)C 2356549511 DZMXLXZJXQGYQL-FTEYMNFISA-N 288.475 5.663 30 1 CKEF CC1=CC[C@]2(C)C(=O)C=C(C(C)C)[C@H]2CCC(C)=CCC1 2356586960 SWXHLDKWCYURTN-QUCCMNQESA-N 286.459 5.631 30 1 CKEF Cc1[nH]c2c(C)cc(Cl)cc2c1[C@H]1[C@H](CC#N)C1(C)C 587624444 JRBHPRDJBHKBSV-DZGCQCFKSA-N 286.806 5.091 30 1 CKEF C=C[C@](C)(CC=C(C)CCC=C(C)C)CCC=C(C)C 2356490531 MFGOTAHWOBKNNU-FQEVSTJZSA-N 274.492 7.008 30 1 CKEF C=C1C[C@H]2C=C[C@@]3(C[C@H](C)C[C@H]13)[C@@H]1[C@@H]2[C@@]1(C)CCC 2356738307 FDTBJAPFEAUWKP-ZNXONEHFSA-N 256.433 5.217 30 1 CKEF CC(C)C1=CC2=CC[C@H]3[C@@](C)(C=O)CCC[C@]3(C)[C@@H]2CC1 13301892 HOFSYSONRIGEAC-IYWMVGAKSA-N 286.459 5.321 30 1 CKEF in-man CCCCCCCCC[N+]1=C(C)C(C)(C)c2ccccc21 96928477 PORBZHPPNZBXNG-UHFFFAOYSA-N 286.483 5.833 30 1 CKEF CCCCCCCCCCCCC[C@H](C)CCCO 238742626 CDUINPQVLNSTIJ-SFHVURJKSA-N 270.501 6.096 30 1 CKEF C=C(CCC=C(C)C)[C@@H]1CC[C@]2(C)CCCC(C)=C2C1 2356431750 CYHWNHHPEIUYBV-QUCCMNQESA-N 272.476 6.596 30 1 CKEF C=C1C[C@@]23CC[C@@H]4C(C)(C)CCC[C@]4(C)[C@@H]2C(=O)C[C@H]1C3 2356692221 OBGDKDRUHRCMHT-AQSUADJNSA-N 286.459 5.154 30 1 CKEF C=C[C@H]1C(=C)CC[C@H]2[C@H]1CC[C@H]1C(C)(C)CCC[C@]21C 59779084 GOFPPPBRKRVCKN-ZYNAIFEFSA-N 272.476 5.997 30 1 CKEF C=C[C@]1(C)CC[C@@H]2C(=CC[C@@H]3C(C)(C)CC[C@@H](O)[C@]23C)C1 2356752217 QSKBCOXQCVLBON-UNNPPQAFSA-N 288.475 5.112 30 1 CKEF C=CCc1cccc2[nH]c(-c3ccc(C4CCC4)cc3)nc12 586879605 GSHCFIOFFUQMCU-UHFFFAOYSA-N 288.394 5.226 30 1 CKEF CCC(CC)c1[nH]c2ccc([C@@H](C)CC)cc2c1C#N 587642478 NXLKKCPFRHQTDH-LBPRGKRZSA-N 268.404 5.457 30 1 CKEF CCCCCCCCCC[C@H](C(=O)O)[C@H]1C=CCC1 1911582813 ZSWWRSUXBRFEJM-HOTGVXAUSA-N 266.425 5.184 30 1 CKEF CCCSc1ccc2[nH]c(/N=C/c3ccccc3)cc2c1 1660558 IGTSZAJEOCVKOL-CPNJWEJPSA-N 294.423 5.421 30 1 CKEF O=C(/C=C/c1cccc(Cl)c1)c1ccc2ccccc2c1 6339447 DHTNDUIYNLNTDG-DHZHZOJOSA-N 292.765 5.389 30 1 CKEF CC(=O)CC/C=C(\C)CCC/C(C)=C/C(=O)CC(C)C 14822741 WFIQWFJWGZPVFS-RNPYNJAESA-N 278.436 5.034 30 1 CKEF C=C1C[C@@]23CC[C@@H]4[C@H](C)CCC[C@@]4(C)[C@@H]2CC[C@@H]1C3 238754948 ZSZRRSWODAXOPL-VMLRXSKPSA-N 258.449 5.585 30 1 CKEF biogenic C=C[C@]1(C)C[C@H](C)[C@@]23CCC[C@@H]2[C@@](C)([C@H](C)CC3)[C@H](O)C1 2356846707 OPVUAGGKMBXOGV-BWGCIZRJSA-N 290.491 5.192 30 1 CKEF C=C[C@@](C)(O)CC[C@@]1(C)C2=C(CC[C@@H]1C)C(C)(C)CCC2 34601114 GNKIACUSODBJNX-CWFSZBLJSA-N 290.491 5.647 30 1 CKEF CCCCCC/C=C/CCCCCC(=O)OCC 114162184 LYRFGKLXONDIAK-MDZDMXLPSA-N 254.414 5.027 30 1 CKEF CCCC/C=C\CCCCCCCCCCCCCC=O 220007830 JGYHJPQESLXOLQ-WAYWQWQTSA-N 294.523 7.003 30 1 CKEF C=C1CCC=C(C)CC[C@](C)(CCC=C(C)C)[C@H]2C[C@H]12 299806788 SLLJXDWDIIKACA-AABGKKOBSA-N 272.476 6.452 30 1 CKEF C=C(C)[C@@H]1CC[C@H](C)[C@@H]2CCC(=C)[C@@H]3CC[C@]3(C)C[C@H]21 2356766997 KNENAWZGSAWZPV-KKMIJOEASA-N 272.476 5.997 30 1 CKEF CCCCCCCCC[C@H](C)CCC[C@H](C)CCCC 85644941 MEHFAVZCNHHAMJ-UXHICEINSA-N 282.556 7.760 30 1 CKEF C=CC[C@@H](Nc1cccc2ccccc12)c1ccccc1 103208554 FNTHWAMCJIRRCO-LJQANCHMSA-N 273.379 5.569 30 1 CKEF CC/C=C/C=C\C=C/C=C\CCCCCCCC=O 195771897 RETRRXAPSLSKSS-QCSDTBEYSA-N 260.421 5.551 30 1 CKEF C/C1=C\Cc2oc(cc2C)C(=O)/C(C)=C/[C@H]2[C@@H](CC1)C2(C)C 238756274 VDVPKUSTQHVPTA-ORWRGGSKSA-N 298.426 5.272 30 1 CKEF CC1=C(C(=O)Cc2ccc(C(C)C)cc2)C(C)(C)CCC1 1857635741 FEBKETRLHRFALC-UHFFFAOYSA-N 284.443 5.448 30 1 CKEF C=C[C@]1(C)CC[C@H](C(C)=CC[C@H]2OC2(C)C)C[C@H]1C(=C)C 2356663633 PLMPUHCOGGTVIR-PNYFIKQUSA-N 288.475 5.685 30 1 CKEF C#CC=CCCCC#CC#CCCCCCCCCC#C 2356840726 MTWJQELLTODFSS-UHFFFAOYSA-N 278.439 5.107 30 1 CKEF CCCCCCCCCC1=NC(=Cc2ccccc2)C(=O)O1 2356850458 PQFDQAVNOYPOPD-UHFFFAOYSA-N 299.414 5.124 30 1 CKEF Cc1ccc(C)c(/C=C/C(=O)/C=C/c2cc(C)ccc2C)c1 40917799 WWVYNVDDXVPREQ-WGDLNXRISA-N 290.406 5.216 30 1 CKEF CCCCCCCCCCCCc1ccc(O)c(O)c1 59258286 IGLIUFGSGJRAQF-UHFFFAOYSA-N 278.436 5.561 30 1 CKEF CCCCCCCCCCCC[C@@H](C)CCC[C@H](C)CC 85644753 ZRWWZZPRTCSWHU-NHCUHLMSSA-N 296.583 8.150 30 1 CKEF CCC(=O)/C=C(C)/C=C/C[C@H](C)CCCC(C)C 29307370 HKKVDNISVWESHU-RCSINJDYSA-N 250.426 5.321 30 1 CKEF CCCCCCCCC1=C(C)C(=O)c2ccccc2C1=O 114119160 ANJYWYTXJPIQLS-UHFFFAOYSA-N 284.399 5.133 30 1 CKEF CCC=C(C)CCCCCCCCCCCCCC 2356507041 OKFARPKORSESQZ-UHFFFAOYSA-N 266.513 7.434 30 1 CKEF C=C(C)[C@H]1CC=C(C)CCC=C(CO)CCC=C(C)CC1 2356575700 XRDSQKYTQNTJEH-HXUWFJFHSA-N 288.475 5.734 30 1 CKEF CCCCCCCCCCCCC[S@](=N)(=O)CCC 102790991 XZBHVAOEQCOJKB-LJQANCHMSA-N 289.529 5.754 30 1 CKEF CCCCCCCCCC[C@H](C)C[C@H](C)CC(=O)O 169621924 ONFXZBQXCIQXBU-HOTGVXAUSA-N 270.457 5.654 30 1 CKEF C=C(C)[C@@H]1CC[C@]2(C)C[C@@H]3C(C)=CC[C@H](O)[C@]3(C)CC[C@@H]12 2356561952 JXGYRZRPPAXVHL-AXGBLAMUSA-N 288.475 5.112 30 1 CKEF C=C[C@H](O)CC[C@@H]1C(=C)CC[C@@H]2C(C)(C)CCC[C@@]12C 2356662270 JKMAMXHNJFUAFT-FAJBIJEISA-N 276.464 5.112 30 1 CKEF C=C1CCC[C@]2(C)C(=C(C)CC[C@@H]2O)C=C(C(C)C)CC1 2356689897 DSRPSPNOQNVOPZ-VQTJNVASSA-N 288.475 5.567 30 1 CKEF C=CC[C@@H](O)C(C)=C[C@@H](C)CCC(=C)Cc1ccccc1 2356789175 CZLPMTFBHMLOHX-OXJNMPFZSA-N 284.443 5.085 30 1 CKEF C=C[C@@]1(C)CC[C@@]2(C)[C@H](CC[C@@]34C[C@]3(C)CCC[C@H]24)C1 238740239 BQPZRCWCEAVBRV-MILMJNAHSA-N 272.476 5.975 30 1 CKEF C=C1CCCC(C)(C)[C@@H]1CC/C(C)=C/C=C/C(C)=O 238746695 KEXFACKEWVXUJY-VUSCCGPNSA-N 260.421 5.241 30 1 CKEF C=C/C=C/C[C@@H]1CCC[C@H]2N[C@@H](CCCC=C)CC[C@@H]12 238786587 PACVAHZJQKARAV-HSYOXTFZSA-N 273.464 5.012 30 1 CKEF C=CCc1cccc2nc(CCCCCCCC#CC)[nH]c12 587956552 FZEJOYOCRZNFJP-UHFFFAOYSA-N 294.442 5.198 30 1 CKEF C=CC=CCC=CC[C@H]1O[C@H]1CCCCCCCCCC 2356606726 BXFNNIGYLSZPIT-UXHICEINSA-N 290.491 6.363 30 1 CKEF C=CCCCCCCCCCC=CCCCCCC(=O)O 2356803108 WSPMUWUFDSRIPL-UHFFFAOYSA-N 294.479 6.275 30 1 CKEF C=C1CCCCCCCCC/C=C\1SCCCSC 17251093 IJRWYEZCWZCGKD-GHRIWEEISA-N 298.561 6.437 30 1 CKEF CCCCCCCCCCCCC/C=C/C(=O)SC 56871199 ZVUCESFICOIMBX-FOCLMDBBSA-N 284.509 6.133 30 1 CKEF CCCCCCCCC/C=C/CCCCCCCCC 85663722 LGDBXSABFKXCSX-FMQUCBEESA-N 280.540 7.824 30 1 CKEF endogenous,in-man CCCCCCCCCCCCCC[C@H](CC)C(C)=O 85734224 AMDIPZGBYHWZOW-IBGZPJMESA-N 282.512 6.693 30 1 CKEF CCCCCCCCCCCCCCCC/C=C/C(=O)O 102181544 INKQLYSQWHBEGS-ISLYRVAYSA-N 296.495 6.499 30 1 CKEF C=C(C)[C@@H]1CC[C@]2(C)CC=C(C)CCC=C(C)C(=O)C[C@@H]12 253951969 QWFVFRAHUCTMJX-BJLQDIEVSA-N 286.459 5.631 30 1 CKEF C=CC=CC[C@@H]1CCC[C@H]2NC(CCCC=C)=CC[C@@H]12 2356404911 AMWVEAYBZDOUNE-NZSAHSFTSA-N 271.448 5.137 30 1 CKEF C=C/C(C)=C\C[C@H]1C(=C)CC[C@@H]2[C@@](C)(CO)CCC[C@]12C 34051483 KDNYVXLYMQKQHH-IYKUUOBLSA-N 288.475 5.280 30 1 CKEF CC[C@H](C)c1ccc2[nH]c(C3CCCC3)c(C#N)c2c1 587643526 UYQKFWDVQCLFHA-LBPRGKRZSA-N 266.388 5.211 30 1 CKEF CCCCCCCCCCCCC=CC=CC(=O)O 2356737473 UINYXDFNICMOQJ-UHFFFAOYSA-N 266.425 5.494 30 1 CKEF C=C[C@]1(C)C=C2C[C@H](O)[C@@H]3C(C)(C)CCC[C@]3(C)[C@H]2CC1 33832416 ISJKCFIDNXQWFE-VBYALHQYSA-N 288.475 5.112 30 1 CKEF CC(C)=CCC[C@]1(C)[C@@H]2C(=O)C=C3CCC[C@H](C)[C@]3(C)[C@H]21 263590362 UMWCYOSJOSAMFG-ZNLXNUBKSA-N 286.459 5.321 30 3 CKEF Cc1cc(C#N)sc1-c1ccc2c(c1)[C@@H](C)CC(C)(C)N2 27416049 RSVKCRGCARHPAC-LBPRGKRZSA-N 296.439 5.293 30 1 CKEF CCCCCCCC[C@@H](C)CCC[C@H](C)[C@H](C)O 100225481 VCMNTYQFWXTWTL-IKGGRYGDSA-N 256.474 5.560 30 1 CKEF CCCCCCCC[C@H](C)CCC[C@H](C)C(=O)O 102180648 GZYWCKOFFXOPCO-GJZGRUSLSA-N 256.430 5.264 30 1 CKEF CCCCCC#CC/C=C\CCC/C=C/C(=O)n1cccc1 238748588 DPEZRVODGRVDEX-YNMXRFAKSA-N 297.442 5.385 30 1 CKEF C=C[C@@]1(C)CCC2=C(CC[C@H]3C(C)(C)CCC[C@]23C)[C@H]1O 653745718 ORKNQFOPPNGYES-KVPLUYHFSA-N 288.475 5.256 30 1 CKEF CCC/C=C\C#CC/C=C\CCCCCCCC(=O)O 34294299 HJYQCZVMQAYTMN-ACHWKMRWSA-N 276.420 5.108 30 1 CKEF C=C(C)CC[C@@]1(C)[C@H](C)CC[C@@]2(C)C(C)=CCC[C@H]12 86047707 TYNPOOIWSFHMPO-YRXWBPOGSA-N 260.465 6.142 30 1 CKEF CCCCCCCCCCCCCCCCCCC=CO 2356320031 ACJQRYKUUGFHPV-UHFFFAOYSA-N 296.539 7.710 30 1 CKEF C=CC=CC[C@@H]1CCC[C@@H]2N[C@@H](CCCC=C)CC[C@@H]12 2356396581 PACVAHZJQKARAV-XWSJACJDSA-N 273.464 5.012 30 1 CKEF C=C(C)[C@]1(O)CC=C(C)CCC=C(C)CCC=C(C)CC1 2356416013 FHZBFUJNSBTONS-FQEVSTJZSA-N 288.475 5.877 30 1 CKEF CCCCCCC=CCC=CCCCCCCC(=O)OC 2356642468 IQTMIKSIMGHIIR-UHFFFAOYSA-N 294.479 5.973 30 1 CKEF CCCCCCCC[C@H]1O[C@H]1C/C=C\CCCCC(=O)O 43888696 MTWBSHWVWQGLIP-GJGKEFFFSA-N 296.451 5.096 30 1 CKEF CCCCCCCCCCCC[C@H](C)CCCO 118348082 IEODIEWNJHUXPT-KRWDZBQOSA-N 256.474 5.706 30 1 CKEF C=C[C@]1(C)CC[C@@H](C(=C)C=CC=C(C)C)C[C@@H]1C(=C)C 2356616383 VGHJWKDOMDFMPV-VAMGGRTRSA-N 270.460 6.250 30 1 CKEF CN(CCCC#CC(C)(C)C)Cc1cccc2ccccc12 27718840 LIFRKDVYTLDMGY-UHFFFAOYSA-N 293.454 5.101 30 1 CKEF CCCCCCCCCCCc1ccc2c(c1)OCO2 85541467 WPKSHCKNVIUZMF-UHFFFAOYSA-N 276.420 5.489 30 1 CKEF biogenic,in-vitro CCCCCCCCCCCCCCC(=O)/C=C/C(=O)O 86038002 DOCHQQOWHPNKAZ-FOCLMDBBSA-N 296.451 5.288 30 1 CKEF CC=CCCCCCCCCCCCCCC=O 2356329118 TWWSXAKLFHYWQT-UHFFFAOYSA-N 252.442 5.833 30 1 CKEF C=C[C@]1(C)CC[C@@H](C(=C)CCC=C(C)C)C[C@H]1C(=C)C 2356712558 GHRLTQJRUVMEDH-HSALFYBXSA-N 272.476 6.474 30 1 CKEF CCCCCCCC[C@@H](CCC1CCCC1)C(=O)NC 1911571573 WGLWAJZFBCUGPG-KRWDZBQOSA-N 281.484 5.070 30 1 CKEF C#C[C@@H](O)CCCCCCC=CC=CC#CCCCCC=C 2356797418 NXBRVCXELKTHEY-OAQYLSRUSA-N 298.470 5.183 30 1 CKEF C=C[C@](C)(O)CC[C@H]1C(C)=CC[C@@H]2C(C)(C)CCC[C@]12C 238777180 YHUUQRPBUXILLV-KVPLUYHFSA-N 290.491 5.502 30 1 CKEF O=C(C(=Cc1ccccc1)c1ccccc1)c1ccccc1 1857623199 IOGCSUPDVDJIOL-UHFFFAOYSA-N 284.358 5.110 30 1 CKEF C=C[C@@](C)(O)C=CC=C(C)CCC=C(C)CCC=C(C)C 2356482852 UQSDGXMRPDUPDJ-HXUWFJFHSA-N 288.475 5.899 30 1 CKEF C=C1CCC=C(C)CC[C@@H]2[C@H]1C[C@]2(C)C(=O)CC=C(C)C 2356587817 YRSZRXAWRABNPZ-NSHGMRRFSA-N 286.459 5.631 30 1 CKEF CCCCCCCCn1ccc(=NCCCCCC)cc1 42967125 BUXBKGUUBJUVOL-UHFFFAOYSA-N 290.495 5.330 30 1 CKEF C=C(CCC=C(C)C)[C@@H]1CC[C@@H](C)[C@@]12CC=C(C)CC2 85983234 REUUHHGDDCLKJR-AABGKKOBSA-N 272.476 6.452 30 1 CKEF biogenic,in-vitro CCCCCCCCCCC[C@H](CCC)C(=O)O 102181098 HHBIYJMJDKRUCS-HNNXBMFYSA-N 256.430 5.408 30 1 CKEF C=C(C)[C@H]1C/C=C(\C)CC/C=C(\C)CC/C=C(/C)C(=O)C1 140240199 URWYQDPLXNWTTC-YGHBVPMQSA-N 286.459 5.941 30 1 CKEF CC(C)=C[C@@H]1C[C@H](C)[C@@H]2CC[C@](C)(C#N)[C@H]3CCC(C)=C1[C@@H]23 2356333470 RBUNFUSZHCJPFL-XRFJLBFOSA-N 297.486 5.891 30 1 CKEF O=C(O)CCCCCCCCCCCCC1=CC(=O)CC1 13429829 UGTCOILQUYCYAW-UHFFFAOYSA-N 294.435 5.042 30 1 CKEF C=C[C@](C)(O)CC/C=C(\C)CC[C@@H]1C(=C)CCCC1(C)C 13430011 YDCKEBYQGRQLLJ-HLUZSCPXSA-N 290.491 5.813 30 1 CKEF 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CKEF CCCCCCCC[N+](C)(C)Cc1ccccc1Cl 169332816 ZEIBRMQFVQIWOW-UHFFFAOYSA-N 282.879 5.277 30 1 CKEF C=C[C@@](C)(O)CC/C=C(\C)CC/C=C(\C)C/C=C/C(=C)C 238736520 FRYUWZOFRMAVEU-PUTZTIIKSA-N 288.475 5.899 30 1 CKEF CCCCCCCC[C@H](C)[C@]1(C)SC(O)=C(C)C1=O 101035125 CVCOQIQHGMKCAQ-LRDDRELGSA-N 284.465 5.237 30 1 CKEF C=C(C)[C@H]1CC(=O)[C@]2(C)CC=C(C)CCC=C(C)CC[C@@H]12 254018067 RNHJVFUOEQKJEA-WSTZPKSXSA-N 286.459 5.631 30 1 CKEF CCCCCCCCCCCCCCC[C@H](O)[C@H](C)O 70454457 QUADQLCGKXETIS-ROUUACIJSA-N 286.500 5.209 30 1 CKEF biogenic,in-vitro CC(C)=C[C@@H]1C[C@H](C)[C@@H]2CC[C@](C)(C#N)[C@@H]3CC=C(C)[C@H]1[C@@H]23 2356358629 SUQFWVZYUFDVKT-QJSKAATBSA-N 297.486 5.747 30 1 CKEF CCCCCCCCCCCC[C@@H](C)CCCC(C)=O 138597565 MWGNBZOSAYVIHD-GOSISDBHSA-N 282.512 6.693 30 1 CKEF C=CC(=C)CC[C@@H]1[C@H](C)CC[C@@H]2C(C)(C)[C@H](O)CC[C@]21C 2356543810 YBXFSYIFNUWIDP-VBEQINLCSA-N 290.491 5.358 30 1 CKEF CCCCCCC/C=C\C[C@H]1O[C@@H]1CCCCC 169622796 DZBUIPPAEPQLKL-KYYFRIAHSA-N 252.442 5.641 30 1 CKEF 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270.457 5.654 30 1 CKEF CCCCCCCCCC/C=C/CC/C=C/CC(=O)O 102181875 UCMXZDHSKOOQEN-YBAIQQBHSA-N 280.452 5.885 30 1 CKEF CC1=CCc2oc(cc2C)C(=O)C(C)=C[C@@H]2[C@H](CC1)C2(C)C 2356516348 VDVPKUSTQHVPTA-JKSUJKDBSA-N 298.426 5.272 30 1 CKEF CCCCCCC=CCCC(=O)CCCCCCCCC 2356608791 HVUBXNQWXJBVHB-UHFFFAOYSA-N 294.523 7.003 30 1 CKEF CCCCCCCC[C@@H](CC)C(=O)CC(=O)CCC 85734175 IEOQQSGEDNEZSG-OAHLLOKOSA-N 268.441 5.092 30 1 CKEF Cc1ccc(-c2[nH]c3c(C)cc(Cl)cc3c2C#N)cc1C 587624781 RFBZHEWINBBAAK-UHFFFAOYSA-N 294.785 5.285 30 1 CKEF CC1=C(/C=C/C(=O)/C=C/c2ccccc2)C(C)(C)CCC1 95578923 ZTUTWCKGMCMAPD-LDHFCIDVSA-N 280.411 5.352 30 1 CKEF CCCCCCC/N=C1/C=C(O)C[C@@H](c2ccco2)C1 102551037 BSAFIDFGKHBDON-ZWPWWNDZSA-N 275.392 5.010 30 1 CKEF C=CC=CC[C@@H]1CCC[C@@H]2NC(CCCC=C)=CC[C@H]12 2356404912 AMWVEAYBZDOUNE-QRQLOZEOSA-N 271.448 5.137 30 1 CKEF C=C[C@H](C)CCCCCC[C@@H]1C=CC(C)=C2CCCN21 2356833677 KIMXRWLLTIHIDG-FUHWJXTLSA-N 273.464 5.457 30 1 CKEF C=CCOC(=O)/C=C(C)/C=C/C[C@H](C)CCCC(C)C 29315682 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C=C[C@@]1(C)CC[C@@H](/C(C)=C/C=C/C(C)(C)O)C[C@@H]1C(=C)C 34375101 PGZCBHXBAUSEPY-WUUBIIOISA-N 288.475 5.445 30 3 CKEF CCCCCC/C=C/CCCCCCCCCCO 59724981 XMLQWXUVTXCDDL-BQYQJAHWSA-N 268.485 6.016 30 1 CKEF CC1=CC[C@@]2(C)CC[C@@]3(C)C(=O)C=C(C(C)C)[C@H]3[C@@H]2CC1 40918003 UBFCZYCSGVNSQM-LEAZDLGRSA-N 286.459 5.321 30 1 CKEF CC1=CCCC(C)(C)[C@H]1/C=C/C(C)=N/OCCC(C)C 103203624 PVNGFTGBTBRPCK-FPGAKXFVSA-N 277.452 5.364 30 1 CKEF C=C(C)[C@@]1(O)CC[C@@]2(C)CC=C(C)CCC=C(C)CC[C@@H]21 299806966 NUHPZDOCKJPIPC-ZCNNSNEGSA-N 288.475 5.567 30 1 CKEF CCCCCCCCCCC[C@@H]1CC=C/C(=C/C(C)=O)O1 473111395 ZDOQVHVFJATDRW-UGDGIKRESA-N 292.463 5.725 30 1 CKEF CCCCCCC/C=C\CCCC[C@H]1CCN=C1C 85593381 LBJVZZRIPHSKNP-LPADLIQXSA-N 263.469 5.944 30 1 CKEF C=C/C(C)=C/C[C@H]1C(=C)CC[C@H]2[C@](C)(CO)CCC[C@]12C 85994054 KDNYVXLYMQKQHH-LMMWYNSXSA-N 288.475 5.280 30 1 CKEF C=C1C[C@@]23CC[C@H]4[C@H](C)CCC[C@@]4(C)[C@@H]2CC[C@@H]1C3 238744523 ZSZRRSWODAXOPL-PBXIWYFESA-N 258.449 5.585 30 1 CKEF 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UOXRXNFHRLNICX-YZGWKJHDSA-N 286.459 5.653 30 1 CKEF C=CC/C=C\C/C=C/CCCCCCCc1cccc(O)c1 33400149 JOLVYUIAMRUBRK-KXKKYDSASA-N 298.470 6.354 30 1 CKEF CCCCCCCCC/C=C/C=C/C(=O)CCCC(=O)O 86037914 YVWMHFYOIJMUMN-CYZWUHAYSA-N 294.435 5.064 30 1 CKEF C=C1CC[C@H]2[C@@](C)(CC[C@H]3C[C@]32C)[C@@H]1CCC(C)=CCO 2356688025 JFSXZUBJQWDKAA-LJDSDSDDSA-N 288.475 5.114 30 1 CKEF CCCCCCCN(CC)C/C=C/c1ccc(Cl)cc1 103242482 KNBLIWVXPBVCRS-MDZDMXLPSA-N 293.882 5.646 30 1 CKEF CCCCCCCC[C@@H](CCC1CCCC1)C(=O)OCC 1911581279 OTZWHUKJNJIIHF-SFHVURJKSA-N 296.495 5.887 30 1 CKEF C=CCCCCCCCC1=N[C@@H](CCCCC=C)CC1 13437563 JRNMZRPLKGPMHB-SFHVURJKSA-N 275.480 6.253 30 1 CKEF in-vivo C=C1C(=O)[C@H]2C[C@@H]1CC1=C2[C@]2(C)CCCC(C)(C)[C@H]2CC1 137348544 NVENGORFEQWJGV-ZFCANOHDSA-N 284.443 5.075 30 1 CKEF C=C[C@H]1CC[C@H]2[C@@H]3CCc4c(C)ccc(O)c4[C@H]3CC[C@@]21C 145468928 UQVWDRUFZGSXPH-VNKNLUDZSA-N 296.454 5.359 30 1 CKEF CC(C)=C1CC[C@@]2(C)C(=O)/C=C(\C)CC/C=C(\C)CC[C@H]12 169369181 UPOREMYWIBIKTQ-BTWAKSQSSA-N 286.459 5.775 30 1 CKEF C=C/C(C)=C/C[C@@H]1C(=C)CC[C@H]2[C@@](C)(C=O)CCC[C@]12C 238756280 GBIAINFWNNBJAS-YHYHFWBWSA-N 286.459 5.487 30 1 CKEF CC1=C2C[C@H]3CC[C@@H](C)[C@@]2(CC1=O)[C@@]3(C)C1CCCCC1 2356351686 DCNBPHJBPGDXBN-LONLNUGOSA-N 286.459 5.299 30 1 CKEF C=C(C)[C@H]1CC[C@]2(C)CC(CNC3CCCC3)=CC(C)=C2C1 2356363178 IJNLEYBKTGEKCP-GHTZIAJQSA-N 299.502 5.548 30 1 CKEF CCCCCCC=CCO[C@H]1CC[C@H](CCCCC)O1 2356578422 RBUQQUQLIYFJPH-ZWKOTPCHSA-N 282.468 5.615 30 1 CKEF C=C[C@H]1CC[C@H]2[C@@H]3CCc4cc(OC)ccc4[C@H]3CC[C@@]21C 38957833 FMOXSNJSHYESRI-FYIGHOIKSA-N 296.454 5.354 30 1 CKEF C=C[C@]1(C)CC[C@@H]2C(=CC[C@@H]3C(C)(C)[C@H](O)CC[C@@]23C)C1 238763008 BLRQCWSOICYRPH-GNVJSZRZSA-N 288.475 5.112 30 1 CKEF CCCCCC/C=C\c1cc2c3c(cccc3n1)CC2 587214371 SPGRTMSNKMQTFE-YFHOEESVSA-N 265.400 5.317 30 1 CKEF C=C1C=C2CCC[C@H](C3CCCCC3)[C@]2(C)[C@H]2[C@H]1C2(C)C 2356391614 VKQASLIMXISWDF-XODKDNOYSA-N 284.487 6.142 30 1 CKEF CCCCCCCC=CCCCC[C@@H]1CCN=C1C 2356562024 LBJVZZRIPHSKNP-GOSISDBHSA-N 263.469 5.944 30 1 CKEF CCCCCCCCCCCCCOC(=O)CCC 101304501 AAEAAZAPXYHUIW-UHFFFAOYSA-N 270.457 5.641 30 1 CKEF C=C[C@]1(C)CC[C@@H]2[C@H](C1)[C@H](O)C[C@@H]1C(C)(C)CCC[C@]21C 2356598178 HSBPTXURDITOSN-CETRPMQOSA-N 290.491 5.192 30 1 CKEF C[C@@H]1C[C@@H]2CC(C)(C)CC3=CC[C@@H]4[C@@H]([C@@H]32)[C@@H]1CC[C@@]4(C)C#N 2356679619 YQIDYSXUAWORQB-KXRRLSRVSA-N 297.486 5.581 30 1 CKEF CC/C=C\C/C=C\C[C@H]1O[C@H]1CCCCCCCCCC 149992904 XXOTXZKHNZSWSZ-UGPUFFFLSA-N 292.507 6.587 30 1 CKEF C=C1C=C2CCC[C@H](C3CCCCC3)[C@]2(C)[C@H]2[C@@H]1C2(C)C 2356391613 VKQASLIMXISWDF-WERVVEIQSA-N 284.487 6.142 30 1 CKEF C=C(C)C1=CC[C@]2(C)CC=C(C)CCC=C(C)CC[C@H]12 2356465301 NEIFYILNUITPRQ-UXHICEINSA-N 270.460 6.372 30 1 CKEF CCCCCCCCCC=CCCCCCCCCCO 2356541671 GBIBFSAIABFIBT-UHFFFAOYSA-N 296.539 6.796 30 1 CKEF C=CC[C@]1(C)CCCCCCCCC[C@](C)(CC=C)C1=O 17250182 SDWQRGAGGRZOHA-BGYRXZFFSA-N 290.491 6.245 30 1 CKEF CCCCCCCCCC(=O)[C@H](O)c1ccc(C)c(C)c1 73159779 LRQFKJRAWVODMI-LJQANCHMSA-N 290.447 5.047 30 1 CKEF CCCCCCCCCCc1c(C)cc(C)[n+]2c1CCC2 84705698 ATHMHEARKLAHSF-UHFFFAOYSA-N 288.499 5.220 30 1 CKEF C=C1CCC=C(C)CC[C@@H]2[C@H](C(=C)C)CC[C@@]2(C)C[C@H]1O 2356486253 LHITWMVHFKXXCI-NMLBUPMWSA-N 288.475 5.423 30 1 CKEF CCCC[C@]12CCC(=O)C(CCC)=C1c1ccc(O)cc1C2 34633767 UZDRXGWOSNDZDM-HXUWFJFHSA-N 298.426 5.042 30 1 CKEF CCCCCCCCCCCC[C@H]1CCCC(=O)O1 136757147 SNHVOIJTSDIHOA-INIZCTEOSA-N 268.441 5.393 30 1 CKEF CCCCCCCCc1c(C)nc2cccc3c2c1CC3 587214347 SGLYBVLWDDALEI-UHFFFAOYSA-N 281.443 5.545 30 1 CKEF CC[C@H](C)c1ccc2[nH]c(-c3cccc(C)c3)c(C#N)c2c1 587642324 MVUCFPSBEMWZOZ-AWEZNQCLSA-N 288.394 5.529 30 1 CKEF C=C(C)c1cc2c(C)ccc(C)c2c2nc3ccccc3nc12 685935711 QWQGDUNJMXPOLV-UHFFFAOYSA-N 298.389 5.586 30 1 CKEF biogenic,in-vitro C=C[C@]1(C)CC[C@H](C(=C)C=CC=C(C)C)C[C@H]1C(=C)C 2356616382 VGHJWKDOMDFMPV-SLFFLAALSA-N 270.460 6.250 30 1 CKEF CCCCCCCC/C=C\CCCC[C@@H]1CCC(=O)O1 44306560 MFJQEKNPFKHQHP-DOOKAGJSSA-N 280.452 5.559 30 1 CKEF biogenic,in-vitro CCCCCCCCCCCCC/C=C\C=C/C(=O)O 100304790 ADHNUPOJJCKWRT-WHEHHYQMSA-N 280.452 5.885 30 1 CKEF C=CCCC[C@@H]1C(=C)CC[C@@H]2[C@@](C)(C(=O)O)CCC[C@@]21C 2356449152 CQUKNNORHGLHKG-JFRXWTBNSA-N 290.447 5.206 30 1 CKEF CCCCCCCCCC[C@H](C)CCCCCCCCC 111344100 BFAGLVWBOUDHBS-OAQYLSRUSA-N 296.583 8.294 30 1 CKEF CCCCCCC=CC=C[C@@H]1CCC[C@H]2CCCN12 2356408382 DQWGZHFKRYCJOQ-MSOLQXFVSA-N 261.453 5.086 30 1 CKEF C=CC(C)=CC[C@@H]1C(=C)CC[C@H]2C(C)(C)C(=O)CC[C@@]12C 2356469204 DJHJAXUNPSDCLR-UWVAXJGDSA-N 286.459 5.487 30 1 CKEF C=C[C@]1(C)CCC2=C(C1)[C@H](O)C[C@@H]1C(C)(C)CCC[C@]21C 2356563727 BAKYAXFGNOBGHJ-HNBVOPMISA-N 288.475 5.256 30 1 CKEF C=C[C@]1(C)CC[C@H](C(C)=CC[C@@H]2OC2(C)C)C[C@H]1C(=C)C 2356663630 PLMPUHCOGGTVIR-CGBFIWBNSA-N 288.475 5.685 30 1 CKEF C=C1CCCC(C)(C)[C@H]1CCC(C)=CCCC(C)=CCO 2356672141 YHXQJKUUMBTWSB-IBGZPJMESA-N 290.491 5.814 30 1 CKEF CCCCCCC[C@H](CCC)SCC(=O)C(F)(F)F 103187188 NQYFMZATHAEKIT-LBPRGKRZSA-N 298.414 5.380 30 1 CKEF C=C1CCC=C(C)CC[C@@H]2[C@@H]1C[C@]2(C)C[C@@H](O)C=C(C)C 2356427757 LUOWJVIXKXXKJE-NMLBUPMWSA-N 288.475 5.423 30 1 CKEF CC1=CCCC(C)(C)[C@H]1CCC(=O)/C=C/c1ccc(O)cc1 40847391 PEFTYPUDQGBHEU-BLRBJFNZSA-N 298.426 5.137 30 1 CKEF CCCCCCCCCCCC/C=C\C/C=C\C(=O)O 85548218 HTDYFMGWIACGSV-AUGURXLVSA-N 280.452 5.885 30 1 CKEF C=CCCCCCCCCCCCCC(=O)CC 144389856 BJUAHDDPXUJMLE-UHFFFAOYSA-N 252.442 5.833 30 1 CKEF C=CCCCCCCC/C=C/C/C=C\Cc1cccc(O)c1 238788222 IXROXLNENZQWPQ-SVEAWWMOSA-N 298.470 6.354 30 1 CKEF C=C(C)[C@@H]1CC[C@]2(C)C(=C(C)C=C[C@@]23CC[C@@H](CO)C3)C1 85550174 QDWQGUANFJRUEY-LFGUQSLTSA-N 286.459 5.034 30 1 CKEF biogenic,in-vitro CCCCCCCCCC[C@H](C)CCC[C@H](C)C(=O)O 102180691 AIJKUSCCAPFTGP-IRXDYDNUSA-N 284.484 6.044 30 1 CKEF CC/C=C\C[C@H]1O[C@@H]1C/C=C\CCCCCCCC 238749193 RSWYJAMVUDLFEQ-KATYKRQISA-N 264.453 5.807 30 1 CKEF [N-]=[N+]=Nc1c(-c2ccc(Cl)cc2)[nH]c2cc(F)ccc12 587632737 JVWZGVLSMYAIEH-UHFFFAOYSA-N 286.697 5.569 30 1 CKEF C=C[C@](C)(C=Cc1ccc(O)cc1)CCCC(C)C 2356581102 KXXXNMZPAJTCQY-SFHVURJKSA-N 258.405 5.424 30 1 CKEF CCCC(=O)/C=C(C)/C=C/C[C@@H](C)CCCC(C)C 29307173 HXULOOOVNDREJG-YKPLSATHSA-N 264.453 5.711 30 1 CKEF C=C(C)[C@@H]1C/C=C(\C)CC/C=C(\C)CC/C=C(/C)CC1=O 238783871 FHFFESCITRPPTG-YGHBVPMQSA-N 286.459 5.941 30 1 CKEF C=C(C)[C@H]1CC(=O)[C@]2(C)C/C=C(/C)CC/C=C(/C)CC[C@@H]12 15147015 RNHJVFUOEQKJEA-VULJCSFHSA-N 286.459 5.631 30 1 CKEF CC/C=C/C/C=C/C/C=C/CCCCCCCC=O 33820581 TUCMDDWTBVMRTP-IUQGRGSQSA-N 262.437 5.775 30 1 CKEF biogenic,in-vitro CC(C)=C1CC[C@@]2(C)C[C@H]3O[C@]3(C)CC/C=C(\C)CC[C@H]12 34581239 ASMOKPSATRQJPP-MOCUNTGJSA-N 288.475 5.807 30 1 CKEF C=C(C)[C@H]1C/C=C(/C)CC/C=C(\C)CC/C=C(/C)C[C@H]1O 207609933 HTWXQGABXITTNW-QGXMOGKRSA-N 288.475 5.733 30 1 CKEF CCCCCCCC/C=C(/C)CCCCCC(=O)OC 223224468 UXARGKMOHWLZFD-VKAVYKQESA-N 282.468 5.807 30 1 CKEF COc1ccc(Cl)cc1C#CCc1ccc(C(C)C)cc1 587898796 QNMJZKUDMCQLGA-UHFFFAOYSA-N 298.813 5.066 30 1 CKEF C=C[C@](C)(O)CC[C@@]1(C)[C@@H](C)CC[C@@]2(C)C(C)=CCC[C@@H]12 14928159 YBDUXZKWDIUNSG-WPVAHCMFSA-N 290.491 5.502 30 1 CKEF endogenous,in-man C=CCCCCCCCCCCCCCC(C)=O 138143338 CNQUZVBWZSJWDA-UHFFFAOYSA-N 252.442 5.833 30 1 CKEF C=C(C)[C@H]1C[C@@H](O)[C@]2(C)C/C=C(\C)CC/C=C(/C)CC[C@@H]12 169340655 YUHFWLZIGAFAIH-IKIDPRIBSA-N 288.475 5.423 30 1 CKEF CCCCCCCCCC/N=C1\C[C@H]2CC[C@]1(C)C2(C)C 1772642880 NMKPFWNHNFFZNV-YGCKQWEBSA-N 291.523 6.414 30 1 CKEF C=CCCCCCCC[C@@H]1CC[C@H]2CC[C@H](C=CC)N21 2356478417 CZRRGBQGVWOIRS-IPMKNSEASA-N 275.480 5.475 30 1 CKEF C=CC(C)=CC[C@@H]1C(=C)CC[C@@H]2[C@](C)(C=O)CCC[C@@]21C 2356752138 GBIAINFWNNBJAS-YSTOQKLRSA-N 286.459 5.487 30 1 CKEF C=C[C@@]1(C)CC[C@H]2[C@@]3(C)CCCC(C)(C)[C@H]3CC[C@@]2(C)O1 3153997 IGGWKHQYMAJOHK-XIHRTOKZSA-N 290.491 5.743 30 1 CKEF in-vitro CCCCCCCCC/C=C/CCCCCCC(=O)O 86020547 WRIDQFICGBMAFQ-ZHACJKMWSA-N 282.468 6.109 30 1 CKEF CCCCCCCCC[C@H](C)CCC[C@@H](C)C(=O)O 102180660 WHGDPKYLDRGDLD-JKSUJKDBSA-N 270.457 5.654 30 1 CKEF CCCCCCC[C@H](CCC1CCCC1)C(=O)O 197635233 ZBKYVSKLBCIHDI-OAHLLOKOSA-N 254.414 5.018 30 1 CKEF C=C1CCC[C@]2(C)C(=C(C)CC[C@H]2O)C=C(C(C)C)CC1 2356689898 DSRPSPNOQNVOPZ-WOJBJXKFSA-N 288.475 5.567 30 1 CKEF CCCCCCC/C=C/C[C@@H]1CCC[C@@H]2CCCN12 42784607 KUOHEKAUFRUGAR-RKQNLGICSA-N 263.469 5.310 30 1 CKEF CCCCCCC/C=C\C/C=C\C[C@@H]1O[C@@H]1CC 169622802 VDCIZKQRWVMECW-DDHUGVIXSA-N 250.426 5.417 30 1 CKEF CCCCCCC[C@H]1CCc2c1nc1cccc3c1c2CC3 587213579 KNARCVNDCFZQMN-INIZCTEOSA-N 293.454 5.724 30 1 CKEF CCCCCCCCCCCCC[C@H]1CC(=O)C=C(C)O1 2356790436 FONOWZGOSWFRBC-IBGZPJMESA-N 294.479 5.949 30 1 CKEF CSC(=O)/C=C(C)/C=C/C[C@@H](C)CCCC(C)C 29315282 HYQQRRFTLMJNNL-MWGOXHSGSA-N 268.466 5.231 30 1 CKEF CC(=O)/C=C(C)/C=C/C=C(C)/C=C/C1=C(C)CCCC1(C)C 29340818 ZUDVJDSGCWBJDP-DXYSAURFSA-N 298.470 6.107 30 1 CKEF C=C1CC[C@@H]2[C@H]([C@H]3[C@H]1CC[C@]3(C)O)[C@@]2(C)CCC=C(C)C 34400779 GDDLDYAOHQKMAN-SFUSBHMVSA-N 288.475 5.112 30 1 CKEF CCCCCCCCSc1ccccc1OC(C)=O 43394122 SBJSBSXQBVJXCR-UHFFFAOYSA-N 280.433 5.065 30 1 CKEF C/C1=C\CC[C@@]2(C)O[C@@H]2CC/C(C)=C/C=C(/C(C)C)CC1 144713118 UIFUEZJMOQTFLI-JDWBEMNESA-N 288.475 5.973 30 1 CKEF C=C[C@]1(C)CC[C@@H](C(=C)C)C[C@H]1C(=C)COC(=O)CCC 222906181 RODOJIMTHDRGJU-ZIFCJYIRSA-N 290.447 5.071 30 1 CKEF CCCCCCC[C@H](C)CCCCCCCCCO 238739330 LKGLNSMGISRSOG-SFHVURJKSA-N 270.501 6.096 30 1 CKEF C=C[C@@H]1CC[C@@H]2[C@@H]3CC=C4CC(=O)C=C[C@]4(C)[C@H]3CC[C@]12C 2356405211 LAEQSJPQYUFQGJ-WCPWDIOKSA-N 296.454 5.097 30 1 CKEF CCCCCCC=CCC=CCCCCC(=O)O 2356668266 JZJWNDAFHKZSNQ-UHFFFAOYSA-N 252.398 5.104 30 1 CKEF CCCCCCCCCC[C@](C)(CC)CC(=O)O 102181106 JZQUUIPHTDDVNQ-INIZCTEOSA-N 256.430 5.408 30 1 CKEF C=C1CC[C@@H]2[C@](C)(CC[C@@H]3C(C)(C)CCC[C@]32C)C[C@H]1O 2356755370 FVXFGAOOEQVNTJ-UNNPPQAFSA-N 290.491 5.336 30 1 CKEF C=C1CC[C@@]2(O)CC=C(C)CCC=C(C)CC[C@H]1C2(C)C 2356453563 CJLCDNWQBLJCEZ-QUCCMNQESA-N 288.475 5.567 30 1 CKEF CCCCCC=CC[C@@H]1O[C@H]1CCCCCCCC(=O)O 2356580920 FBUKMFOXMZRGRB-IRXDYDNUSA-N 296.451 5.096 30 1 CKEF C=C1CC[C@@H]2[C@H](C(=C)C)CC[C@@]2(C)[C@H]2C[C@H](C)CC[C@@H]12 2356813918 BVVLUVMIZAWMHA-CLTLGLDDSA-N 272.476 5.997 30 1 CKEF C=C1C[C@]23CC[C@@H]4C(C)(C)CCC[C@@]4(C)[C@@H]2CC[C@@H]1C3 100898341 ONVABDHFQKWOSV-VROUVPMXSA-N 272.476 5.975 30 1 CKEF in-vitro C=C(C)[C@@H]1C/C=C(\C)CC/C=C(\C)CC[C@H](C(=C)C)C1 169643272 CIJBIDDWTJGAAD-KDIHLRMYSA-N 272.476 6.618 30 1 CKEF C=C[C@](C)(CCCC(C)C)CCc1ccc(O)cc1 653739793 WRIFSSLXDWBFIP-GOSISDBHSA-N 260.421 5.343 30 1 CKEF C=CCCCCCCCC=CCC=CCCCCC 2356393878 VXACFEQIMHAHDP-UHFFFAOYSA-N 262.481 6.986 30 1 CKEF C=C(C)[C@@H]1CC[C@]2(C)C[C@H](O)C(C)=CCCC(C)=CC[C@@H]12 2356439278 LREHNCVBQXWFSA-LWYYNNOASA-N 288.475 5.423 30 1 CKEF C=C[C@]1(C)CC[C@@H](C=CC=CC(C)(C)O)C[C@H]1C(=C)C 2356545875 QQDBPPOZJJEGCO-ZIFCJYIRSA-N 274.448 5.054 30 1 CKEF C=C1CCC=C(C)CC[C@@H]2[C@@H]1C[C@]2(C)CC[C@@H]1OC1(C)C 2356549514 DZMXLXZJXQGYQL-XSYGEPLQSA-N 288.475 5.663 30 1 CKEF C=C(C)[C@H]1C/C=C(/C)CC/C=C(/C)CC/C=C(/C)C[C@@H]1O 13384677 HTWXQGABXITTNW-JRKMLTMNSA-N 288.475 5.733 30 1 CKEF C=C(C)C[C@@H]1C[C@H](C)[C@@H]2CC[C@](C)(C#N)[C@@H]3CCC(=C)[C@H]1[C@H]23 2356333264 OSTUOHSDKCQCCA-ORBUVVROSA-N 297.486 5.747 30 1 CKEF C=C1CCC=C(C)CC=C2[C@H](C(C)C)CC[C@]2(C)CC1=O 2356510289 TUSPBQULTBUFEJ-FXAWDEMLSA-N 286.459 5.631 30 1 CKEF CCCCCCCC=CCCCC[C@H]1CCN=C1C 2356562026 LBJVZZRIPHSKNP-SFHVURJKSA-N 263.469 5.944 30 1 CKEF C=C1CC[C@H]2CC=C(C)[C@@H](O)CC=C(C)CC[C@H]1C2(C)C 2356636213 ZPONSJXVJQFQII-OTWHNJEPSA-N 288.475 5.423 30 1 CKEF