CC(=O)Cc1cc(=O)c2c(C)cc(O)c([C@H]3O[C@@H](CO)[C@@H](O)[C@@H](O)[C@H]3O)c2o1 ZINC000005890334 20/36/75/560203675 HKIKAXXIWJHWLY-BMBOTXNISA-N 0 394.376 GB -0.547 2 Anodyne low GBABLN CC(=O)Cc1cc(=O)c2c(C)cc(O)c([C@H]3O[C@@H](CO)[C@@H](O)[C@@H](O)[C@H]3O)c2o1 in-vitro biogenic CC(=O)Cc1cc(=O)c2c(C)cc(O)c([C@H]3O[C@@H](CO)[C@@H](O)[C@@H](O)[C@H]3O)c2o1 ZINC000005890334 20/36/72/560203672 HKIKAXXIWJHWLY-BMBOTXNISA-N -1 394.376 GB -0.547 0 Anodyne ref GBABRM CC(=O)Cc1cc(=O)c2c(C)cc([O-])c([C@H]3O[C@@H](CO)[C@@H](O)[C@@H](O)[C@H]3O)c2o1 in-vitro biogenic CC(=O)Cc1cc(=O)c2c(C)cc(O)c([C@@H]3O[C@@H](CO)[C@@H](O)[C@@H](O)[C@H]3O)c2o1 ZINC000005890339 20/36/83/560203683 HKIKAXXIWJHWLY-LOWFOZAKSA-N 0 394.376 GB -0.547 2 Anodyne low GBABLN CC(=O)Cc1cc(=O)c2c(C)cc(O)c([C@@H]3O[C@@H](CO)[C@@H](O)[C@@H](O)[C@H]3O)c2o1 in-vitro biogenic CC(=O)Cc1cc(=O)c2c(C)cc(O)c([C@@H]3O[C@@H](CO)[C@@H](O)[C@@H](O)[C@H]3O)c2o1 ZINC000005890339 20/36/80/560203680 HKIKAXXIWJHWLY-LOWFOZAKSA-N -1 394.376 GB -0.547 0 Anodyne ref GBABRM CC(=O)Cc1cc(=O)c2c(C)cc([O-])c([C@@H]3O[C@@H](CO)[C@@H](O)[C@@H](O)[C@H]3O)c2o1 in-vitro biogenic CC(=O)Cc1cc(=O)c2c(C)cc(O)c([C@H]3O[C@@H](CO)[C@@H](O)[C@@H](O)[C@@H]3O)c2o1 ZINC000005890342 20/36/66/560203666 HKIKAXXIWJHWLY-LJNYTWTNSA-N 0 394.376 GB -0.547 2 Anodyne low GBABLN CC(=O)Cc1cc(=O)c2c(C)cc(O)c([C@H]3O[C@@H](CO)[C@@H](O)[C@@H](O)[C@@H]3O)c2o1 in-vitro biogenic CC(=O)Cc1cc(=O)c2c(C)cc(O)c([C@H]3O[C@@H](CO)[C@@H](O)[C@@H](O)[C@@H]3O)c2o1 ZINC000005890342 20/36/63/560203663 HKIKAXXIWJHWLY-LJNYTWTNSA-N -1 394.376 GB -0.547 0 Anodyne ref GBABRM CC(=O)Cc1cc(=O)c2c(C)cc([O-])c([C@H]3O[C@@H](CO)[C@@H](O)[C@@H](O)[C@@H]3O)c2o1 in-vitro biogenic CC(=O)Cc1cc(=O)c2c(C)cc(O)c([C@@H]3O[C@@H](CO)[C@@H](O)[C@@H](O)[C@@H]3O)c2o1 ZINC000005890346 20/37/45/560203745 HKIKAXXIWJHWLY-TVOLIBFISA-N 0 394.376 GB -0.547 2 Anodyne low GBABLN CC(=O)Cc1cc(=O)c2c(C)cc(O)c([C@@H]3O[C@@H](CO)[C@@H](O)[C@@H](O)[C@@H]3O)c2o1 in-vitro biogenic CC(=O)Cc1cc(=O)c2c(C)cc(O)c([C@@H]3O[C@@H](CO)[C@@H](O)[C@@H](O)[C@@H]3O)c2o1 ZINC000005890346 20/37/43/560203743 HKIKAXXIWJHWLY-TVOLIBFISA-N -1 394.376 GB -0.547 0 Anodyne ref GBABRM CC(=O)Cc1cc(=O)c2c(C)cc([O-])c([C@@H]3O[C@@H](CO)[C@@H](O)[C@@H](O)[C@@H]3O)c2o1 in-vitro biogenic C[C@H](/C=C/[C@]1(O)[C@H](C)CC(=O)CC1(C)C)O[C@H]1O[C@@H](CO)[C@@H](O)[C@@H](O)[C@H]1O ZINC000013333975 10/52/61/560105261 QFTPTUOKFIIFJH-LJWGWQCVSA-N 0 388.457 GB -0.496 0 Anodyne ref GBABRN C[C@H](/C=C/[C@]1(O)[C@H](C)CC(=O)CC1(C)C)O[C@H]1O[C@@H](CO)[C@@H](O)[C@@H](O)[C@H]1O in-man biogenic C[C@H]1CC(=O)CC(C)(C)[C@]1(O)/C=C/[C@@H](C)O[C@H]1O[C@@H](CO)[C@@H](O)[C@@H](O)[C@H]1O ZINC000013333976 69/80/15/211698015 QFTPTUOKFIIFJH-IAUUKOMZSA-N 0 388.457 GB -0.496 0 Anodyne ref GBABRN C[C@H]1CC(=O)CC(C)(C)[C@]1(O)/C=C/[C@@H](C)O[C@H]1O[C@@H](CO)[C@@H](O)[C@@H](O)[C@H]1O in-man biogenic C[C@H](/C=C/[C@@]1(O)[C@H](C)CC(=O)CC1(C)C)O[C@H]1O[C@@H](CO)[C@@H](O)[C@@H](O)[C@H]1O ZINC000013333978 10/52/55/560105255 QFTPTUOKFIIFJH-CVPLIGPRSA-N 0 388.457 GB -0.496 0 Anodyne ref GBABRN C[C@H](/C=C/[C@@]1(O)[C@H](C)CC(=O)CC1(C)C)O[C@H]1O[C@@H](CO)[C@@H](O)[C@@H](O)[C@H]1O in-man biogenic C[C@H]1CC(=O)CC(C)(C)[C@@]1(O)/C=C/[C@@H](C)O[C@H]1O[C@@H](CO)[C@@H](O)[C@@H](O)[C@H]1O ZINC000013333979 78/24/18/208782418 QFTPTUOKFIIFJH-ZTOJPLMOSA-N 0 388.457 GB -0.496 0 Anodyne ref GBABRN C[C@H]1CC(=O)CC(C)(C)[C@@]1(O)/C=C/[C@@H](C)O[C@H]1O[C@@H](CO)[C@@H](O)[C@@H](O)[C@H]1O in-man biogenic CC1=CC(=O)CC(C)(C)[C@@]1(O)/C=C/[C@@H](C)O[C@@H]1O[C@H](CO)[C@@H](O)[C@H](O)[C@H]1O ZINC000031154891 37/97/33/207379733 SWYRVCGNMNAFEK-MHXFFUGFSA-N 0 386.441 GB -0.576 0 Mild ref GBEARN CC1=CC(=O)CC(C)(C)[C@@]1(O)/C=C/[C@@H](C)O[C@@H]1O[C@H](CO)[C@@H](O)[C@H](O)[C@H]1O in-vitro biogenic CC1=CC(=O)CC(C)(C)[C@@]1(O)/C=C/[C@H](C)O[C@@H]1O[C@H](CO)[C@@H](O)[C@H](O)[C@H]1O ZINC000031154896 56/20/05/210562005 SWYRVCGNMNAFEK-PUVRWCMWSA-N 0 386.441 GB -0.576 0 Mild ref GBEARN CC1=CC(=O)CC(C)(C)[C@@]1(O)/C=C/[C@H](C)O[C@@H]1O[C@H](CO)[C@@H](O)[C@H](O)[C@H]1O in-vitro biogenic CC(=O)C=C=C1C(C)(C)C[C@@H](O)C[C@@]1(C)O[C@@H]1O[C@H](CO)[C@@H](O)[C@H](O)[C@H]1O ZINC000031155111 37/16/22/519371622 XTODSGVDHGMKSN-WLUDRWKVSA-N 0 386.441 GB -0.587 0 Mild ref GBEARN CC(=O)C=C=C1C(C)(C)C[C@@H](O)C[C@@]1(C)O[C@@H]1O[C@H](CO)[C@@H](O)[C@H](O)[C@H]1O in-vitro biogenic CC(=O)C=C=C1C(C)(C)C[C@H](O)C[C@@]1(C)O[C@@H]1O[C@H](CO)[C@@H](O)[C@H](O)[C@H]1O ZINC000031155114 09/07/82/560090782 XTODSGVDHGMKSN-SIEIHWOKSA-N 0 386.441 GB -0.587 0 Mild ref GBEARN CC(=O)C=C=C1C(C)(C)C[C@H](O)C[C@@]1(C)O[C@@H]1O[C@H](CO)[C@@H](O)[C@H](O)[C@H]1O in-vitro biogenic CC(=O)C=C=C1C(C)(C)C[C@@H](O)C[C@]1(C)O[C@@H]1O[C@H](CO)[C@@H](O)[C@H](O)[C@H]1O ZINC000031155119 37/21/22/519372122 XTODSGVDHGMKSN-MIRAOBKKSA-N 0 386.441 GB -0.587 0 Mild ref GBEARN CC(=O)C=C=C1C(C)(C)C[C@@H](O)C[C@]1(C)O[C@@H]1O[C@H](CO)[C@@H](O)[C@H](O)[C@H]1O in-vitro biogenic CC(=O)C=C=C1C(C)(C)C[C@H](O)C[C@]1(C)O[C@@H]1O[C@H](CO)[C@@H](O)[C@H](O)[C@H]1O ZINC000031155124 37/11/63/519371163 XTODSGVDHGMKSN-CVIWVNNASA-N 0 386.441 GB -0.587 0 Mild ref GBEARN CC(=O)C=C=C1C(C)(C)C[C@H](O)C[C@]1(C)O[C@@H]1O[C@H](CO)[C@@H](O)[C@H](O)[C@H]1O in-vitro biogenic O=C1OCc2cc3cccc(O[C@@H]4O[C@H](CO)[C@@H](O)[C@H](O)[C@H]4O)c3c(O)c21 ZINC000031155317 08/39/66/206083966 SGQJDTLFQCDZGS-UQEKQVNISA-N -1 378.333 GB -0.606 3 Anodyne high GBAAHM O=C1OCc2cc3cccc(O[C@@H]4O[C@H](CO)[C@@H](O)[C@H](O)[C@H]4O)c3c([O-])c21 O=C1OCc2cc3cccc(O[C@@H]4O[C@H](CO)[C@@H](O)[C@H](O)[C@H]4O)c3c(O)c21 ZINC000031155317 08/39/60/206083960 SGQJDTLFQCDZGS-UQEKQVNISA-N 0 378.333 GB -0.606 0 Anodyne ref GBAARN O=C1OCc2cc3cccc(O[C@@H]4O[C@H](CO)[C@@H](O)[C@H](O)[C@H]4O)c3c(O)c21 COc1cc2occc2c(O[C@@H]2O[C@H](CO)[C@@H](O)[C@H](O)[C@H]2O)c1CCC(=O)O ZINC000031157109 09/06/27/560090627 OLFRCQFNQXYDGW-NDOBWRGRSA-N -1 398.364 GB -0.363 0 Anodyne ref GBAARM COc1cc2occc2c(O[C@@H]2O[C@H](CO)[C@@H](O)[C@H](O)[C@H]2O)c1CCC(=O)[O-] in-vitro biogenic COc1c(CCC(=O)O)c(O[C@@H]2O[C@H](CO)[C@@H](O)[C@H](O)[C@H]2O)cc2occc12 ZINC000031159001 26/45/03/206264503 FQTKOEVCGAVVIG-AEWXESQOSA-N -1 398.364 GB -0.363 0 Anodyne ref GBAARM COc1c(CCC(=O)[O-])c(O[C@@H]2O[C@H](CO)[C@@H](O)[C@H](O)[C@H]2O)cc2occc12 in-vitro biogenic COc1c(O[C@@H]2O[C@H](CO)[C@@H](O)[C@H](O)[C@H]2O)c(CCC(=O)O)cc2ccoc12 ZINC000031160236 08/69/61/206086961 YVYNMIFMUKDFEC-AXOAAPQKSA-N -1 398.364 GB -0.363 0 Anodyne ref GBAARM COc1c(O[C@@H]2O[C@H](CO)[C@@H](O)[C@H](O)[C@H]2O)c(CCC(=O)[O-])cc2ccoc12 in-vitro biogenic CC1=CC(=O)CC(C)(C)[C@H]1/C=C/[C@@H](CO)O[C@@H]1O[C@H](CO)[C@@H](O)[C@H](O)[C@H]1O ZINC000031161212 84/91/71/520849171 PYYCXUBJCCEGKB-UTLQJJODSA-N 0 386.441 GB -0.718 0 Mild ref GBEARN CC1=CC(=O)CC(C)(C)[C@H]1/C=C/[C@@H](CO)O[C@@H]1O[C@H](CO)[C@@H](O)[C@H](O)[C@H]1O in-vitro biogenic CC1=CC(=O)CC(C)(C)[C@H]1/C=C/[C@H](CO)O[C@@H]1O[C@H](CO)[C@@H](O)[C@H](O)[C@H]1O ZINC000031161216 84/99/91/520849991 PYYCXUBJCCEGKB-STPOHCCESA-N 0 386.441 GB -0.718 0 Mild ref GBEARN CC1=CC(=O)CC(C)(C)[C@H]1/C=C/[C@H](CO)O[C@@H]1O[C@H](CO)[C@@H](O)[C@H](O)[C@H]1O in-vitro biogenic CC1=CC(=O)CC(C)(C)[C@@]1(O)CC[C@@H](C)O[C@@H]1O[C@H](CO)[C@@H](O)[C@H](O)[C@H]1O ZINC000031161972 84/98/94/520849894 CZYPGTRKJFYXLT-SUHXYMONSA-N 0 388.457 GB -0.352 0 Mild ref GBEFRN CC1=CC(=O)CC(C)(C)[C@@]1(O)CC[C@@H](C)O[C@@H]1O[C@H](CO)[C@@H](O)[C@H](O)[C@H]1O CC(=O)C=C=C1C(C)(C)C[C@H](O[C@@H]2O[C@H](CO)[C@@H](O)[C@H](O)[C@H]2O)C[C@@]1(C)O ZINC000034614538 37/29/30/519372930 OSUSRWMGHUUXBY-YARXSPMZSA-N 0 386.441 GB -0.587 0 Mild ref GBEARN CC(=O)C=C=C1C(C)(C)C[C@H](O[C@@H]2O[C@H](CO)[C@@H](O)[C@H](O)[C@H]2O)C[C@@]1(C)O in-vitro biogenic O=C(O)C[C@H]1CCC(=O)[C@@H]1C/C=C\CCO[C@H]1O[C@@H](CO)[C@@H](O)[C@@H](O)[C@H]1O ZINC000035454983 22/75/54/204227554 JFDNMLUPLXZXGV-BEGYWARYSA-N -1 388.413 GB -0.791 0 Anodyne ref GBABRM O=C([O-])C[C@H]1CCC(=O)[C@@H]1C/C=C\CCO[C@H]1O[C@@H](CO)[C@@H](O)[C@@H](O)[C@H]1O in-vitro biogenic O=C(O)C[C@H]1CCC(=O)[C@@H]1C/C=C\CCO[C@@H]1O[C@@H](CO)[C@@H](O)[C@@H](O)[C@H]1O ZINC000035454987 08/13/30/560081330 JFDNMLUPLXZXGV-VULWOTNBSA-N -1 388.413 GB -0.791 0 Anodyne ref GBABRM O=C([O-])C[C@H]1CCC(=O)[C@@H]1C/C=C\CCO[C@@H]1O[C@@H](CO)[C@@H](O)[C@@H](O)[C@H]1O in-vitro biogenic O=C(O)C[C@H]1CCC(=O)[C@@H]1C/C=C\CCO[C@H]1O[C@@H](CO)[C@@H](O)[C@@H](O)[C@@H]1O ZINC000035454991 08/13/44/560081344 JFDNMLUPLXZXGV-BKNAHGGJSA-N -1 388.413 GB -0.791 0 Anodyne ref GBABRM O=C([O-])C[C@H]1CCC(=O)[C@@H]1C/C=C\CCO[C@H]1O[C@@H](CO)[C@@H](O)[C@@H](O)[C@@H]1O in-vitro biogenic O=C(O)C[C@H]1CCC(=O)[C@@H]1C/C=C\CCO[C@@H]1O[C@@H](CO)[C@@H](O)[C@@H](O)[C@@H]1O ZINC000035454995 82/49/95/221824995 JFDNMLUPLXZXGV-DVFPBWIISA-N -1 388.413 GB -0.791 0 Anodyne ref GBABRM O=C([O-])C[C@H]1CCC(=O)[C@@H]1C/C=C\CCO[C@@H]1O[C@@H](CO)[C@@H](O)[C@@H](O)[C@@H]1O in-vitro biogenic CC(=O)C=C=C1C(C)(C)C[C@@H](O[C@@H]2O[C@H](CO)[C@@H](O)[C@H](O)[C@H]2O)C[C@@]1(C)O ZINC000035465752 37/23/68/519372368 OSUSRWMGHUUXBY-ZBBPMGHLSA-N 0 386.441 GB -0.587 0 Mild ref GBEARN CC(=O)C=C=C1C(C)(C)C[C@@H](O[C@@H]2O[C@H](CO)[C@@H](O)[C@H](O)[C@H]2O)C[C@@]1(C)O in-vitro biogenic CC(=O)C=C=C1C(C)(C)C[C@H](O[C@@H]2O[C@H](CO)[C@@H](O)[C@H](O)[C@H]2O)C[C@]1(C)O ZINC000035465754 37/26/70/519372670 OSUSRWMGHUUXBY-XTQXZYSZSA-N 0 386.441 GB -0.587 0 Mild ref GBEARN CC(=O)C=C=C1C(C)(C)C[C@H](O[C@@H]2O[C@H](CO)[C@@H](O)[C@H](O)[C@H]2O)C[C@]1(C)O in-vitro biogenic CC(=O)C=C=C1C(C)(C)C[C@@H](O[C@@H]2O[C@H](CO)[C@@H](O)[C@H](O)[C@H]2O)C[C@]1(C)O ZINC000035465756 37/25/77/519372577 OSUSRWMGHUUXBY-WRRTUZSUSA-N 0 386.441 GB -0.587 0 Mild ref GBEARN CC(=O)C=C=C1C(C)(C)C[C@@H](O[C@@H]2O[C@H](CO)[C@@H](O)[C@H](O)[C@H]2O)C[C@]1(C)O in-vitro biogenic O=C(O)C[C@H]1CCC(=O)[C@@H]1C/C=C\CCO[C@H]1O[C@@H](CO)[C@H](O)[C@@H](O)[C@@H]1O ZINC000038238855 72/50/22/290725022 JFDNMLUPLXZXGV-NQDSTNDLSA-N -1 388.413 GB -0.791 0 Anodyne ref GBAARM O=C([O-])C[C@H]1CCC(=O)[C@@H]1C/C=C\CCO[C@H]1O[C@@H](CO)[C@H](O)[C@@H](O)[C@@H]1O in-vitro biogenic C[C@H](O)C(O)(C(=O)OCc1ccccc1NC(=O)CC[C@H](N)C(=O)O)[C@H](C)O ZINC000049180788 08/40/88/560084088 NFINSJKQOBJWEB-GVXVVHGQSA-N 0 398.412 GB -0.647 0 Anodyne ref GBAARN C[C@H](O)C(O)(C(=O)OCc1ccccc1NC(=O)CC[C@H]([NH3+])C(=O)[O-])[C@H](C)O in-vitro biogenic C[C@H](O)C(O)(C(=O)OCc1ccccc1NC(=O)CC[C@@H](N)C(=O)O)[C@H](C)O ZINC000049180791 08/40/63/560084063 NFINSJKQOBJWEB-GMXVVIOVSA-N 0 398.412 GB -0.647 0 Anodyne ref GBAARN C[C@H](O)C(O)(C(=O)OCc1ccccc1NC(=O)CC[C@@H]([NH3+])C(=O)[O-])[C@H](C)O in-vitro biogenic CC(=O)CCC1=C(C)[C@@H](O[C@@H]2O[C@H](CO)[C@@H](O)[C@H](O)[C@H]2O)[C@@H](O)CC1(C)C ZINC000049601623 08/37/22/560083722 JVIDANAJZDBKRL-RYHCGZPWSA-N 0 388.457 GB -0.352 0 Anodyne ref GBAARN CC(=O)CCC1=C(C)[C@@H](O[C@@H]2O[C@H](CO)[C@@H](O)[C@H](O)[C@H]2O)[C@@H](O)CC1(C)C in-vitro biogenic CC(=O)CCC1=C(C)[C@@H](O[C@@H]2O[C@H](CO)[C@@H](O)[C@H](O)[C@H]2O)[C@H](O)CC1(C)C ZINC000049601625 08/37/11/560083711 JVIDANAJZDBKRL-ZXPZCTBMSA-N 0 388.457 GB -0.352 0 Anodyne ref GBAARN CC(=O)CCC1=C(C)[C@@H](O[C@@H]2O[C@H](CO)[C@@H](O)[C@H](O)[C@H]2O)[C@H](O)CC1(C)C in-vitro biogenic CC(=O)CCC1=C(C)[C@H](O[C@@H]2O[C@H](CO)[C@@H](O)[C@H](O)[C@H]2O)[C@@H](O)CC1(C)C ZINC000049601627 00/08/23/222000823 JVIDANAJZDBKRL-FXVDGXSLSA-N 0 388.457 GB -0.352 0 Anodyne ref GBAARN CC(=O)CCC1=C(C)[C@H](O[C@@H]2O[C@H](CO)[C@@H](O)[C@H](O)[C@H]2O)[C@@H](O)CC1(C)C in-vitro biogenic CC(=O)CCC1=C(C)[C@H](O[C@@H]2O[C@H](CO)[C@@H](O)[C@H](O)[C@H]2O)[C@H](O)CC1(C)C ZINC000049601629 08/37/16/560083716 JVIDANAJZDBKRL-DJKVBGFSSA-N 0 388.457 GB -0.352 0 Anodyne ref GBAARN CC(=O)CCC1=C(C)[C@H](O[C@@H]2O[C@H](CO)[C@@H](O)[C@H](O)[C@H]2O)[C@H](O)CC1(C)C in-vitro biogenic C[C@H](/C=C/[C@@]1(O)[C@H](C)CC(=O)CC1(C)C)O[C@@H]1O[C@H](CO)[C@@H](O)[C@H](O)[C@H]1O ZINC000140922443 04/52/24/560045224 QFTPTUOKFIIFJH-MODFVPIOSA-N 0 388.457 GB -0.496 0 Anodyne ref GBAARN C[C@H](/C=C/[C@@]1(O)[C@H](C)CC(=O)CC1(C)C)O[C@@H]1O[C@H](CO)[C@@H](O)[C@H](O)[C@H]1O in-vitro biogenic C[C@H](/C=C/[C@H]1C(CO)=CC(=O)CC1(C)C)O[C@@H]1O[C@H](CO)[C@@H](O)[C@H](O)[C@H]1O ZINC000166160292 09/65/79/291096579 AURHKHAKYLTFJN-YIOPDIOLSA-N 0 386.441 GB -0.718 0 Mild ref GBEARN C[C@H](/C=C/[C@H]1C(CO)=CC(=O)CC1(C)C)O[C@@H]1O[C@H](CO)[C@@H](O)[C@H](O)[C@H]1O in-vitro biogenic C[C@@H](/C=C/[C@@H]1C(CO)=CC(=O)CC1(C)C)O[C@@H]1O[C@H](CO)[C@@H](O)[C@H](O)[C@H]1O ZINC000238746834 09/57/28/291095728 AURHKHAKYLTFJN-CXZTWHSPSA-N 0 386.441 GB -0.718 0 Mild ref GBEARN C[C@@H](/C=C/[C@@H]1C(CO)=CC(=O)CC1(C)C)O[C@@H]1O[C@H](CO)[C@@H](O)[C@H](O)[C@H]1O in-vitro biogenic C[C@@H](/C=C/[C@H]1C(CO)=CC(=O)CC1(C)C)O[C@@H]1O[C@H](CO)[C@@H](O)[C@H](O)[C@H]1O ZINC000238756240 09/57/42/291095742 AURHKHAKYLTFJN-DSFNCLLUSA-N 0 386.441 GB -0.718 0 Mild ref GBEARN C[C@@H](/C=C/[C@H]1C(CO)=CC(=O)CC1(C)C)O[C@@H]1O[C@H](CO)[C@@H](O)[C@H](O)[C@H]1O in-vitro biogenic C[C@H]1CC(=O)CC(C)(C)[C@@]1(O)/C=C/[C@@H](C)O[C@@H]1O[C@H](CO)[C@@H](O)[C@H](O)[C@H]1O ZINC000238789183 04/04/48/560040448 QFTPTUOKFIIFJH-KFQSIWDGSA-N 0 388.457 GB -0.496 0 Anodyne ref GBAARN C[C@H]1CC(=O)CC(C)(C)[C@@]1(O)/C=C/[C@@H](C)O[C@@H]1O[C@H](CO)[C@@H](O)[C@H](O)[C@H]1O in-vitro biogenic CC(=O)Cc1cc(=O)c2c(C)cc(O)c([C@@H]3O[C@H](CO)[C@H](O)[C@@H](O)[C@H]3O)c2o1 ZINC000239309356 04/06/07/560040607 HKIKAXXIWJHWLY-BQXVCNAFSA-N 0 394.376 GB -0.547 2 Anodyne low GBAALN CC(=O)Cc1cc(=O)c2c(C)cc(O)c([C@@H]3O[C@H](CO)[C@H](O)[C@@H](O)[C@H]3O)c2o1 in-vitro biogenic CC(=O)Cc1cc(=O)c2c(C)cc(O)c([C@@H]3O[C@H](CO)[C@H](O)[C@@H](O)[C@H]3O)c2o1 ZINC000239309356 04/06/06/560040606 HKIKAXXIWJHWLY-BQXVCNAFSA-N -1 394.376 GB -0.547 0 Anodyne ref GBAARM CC(=O)Cc1cc(=O)c2c(C)cc([O-])c([C@@H]3O[C@H](CO)[C@H](O)[C@@H](O)[C@H]3O)c2o1 in-vitro biogenic CC(=O)Cc1cc(=O)c2c(C)cc(O)c([C@@H]3O[C@H](CO)[C@H](O)[C@@H](O)[C@@H]3O)c2o1 ZINC000239309357 04/05/96/560040596 HKIKAXXIWJHWLY-IGZUXUIZSA-N 0 394.376 GB -0.547 2 Anodyne low GBAALN CC(=O)Cc1cc(=O)c2c(C)cc(O)c([C@@H]3O[C@H](CO)[C@H](O)[C@@H](O)[C@@H]3O)c2o1 in-vitro biogenic CC(=O)Cc1cc(=O)c2c(C)cc(O)c([C@@H]3O[C@H](CO)[C@H](O)[C@@H](O)[C@@H]3O)c2o1 ZINC000239309357 04/05/95/560040595 HKIKAXXIWJHWLY-IGZUXUIZSA-N -1 394.376 GB -0.547 0 Anodyne ref GBAARM CC(=O)Cc1cc(=O)c2c(C)cc([O-])c([C@@H]3O[C@H](CO)[C@H](O)[C@@H](O)[C@@H]3O)c2o1 in-vitro biogenic CC(=O)Cc1cc(=O)c2c(C)cc(O)c([C@@H]3O[C@H](CO)[C@H](O)[C@H](O)[C@H]3O)c2o1 ZINC000239309358 04/05/98/560040598 HKIKAXXIWJHWLY-QEVGBQTESA-N 0 394.376 GB -0.547 2 Anodyne low GBAALN CC(=O)Cc1cc(=O)c2c(C)cc(O)c([C@@H]3O[C@H](CO)[C@H](O)[C@H](O)[C@H]3O)c2o1 in-vitro biogenic CC(=O)Cc1cc(=O)c2c(C)cc(O)c([C@@H]3O[C@H](CO)[C@H](O)[C@H](O)[C@H]3O)c2o1 ZINC000239309358 04/05/97/560040597 HKIKAXXIWJHWLY-QEVGBQTESA-N -1 394.376 GB -0.547 0 Anodyne ref GBAARM CC(=O)Cc1cc(=O)c2c(C)cc([O-])c([C@@H]3O[C@H](CO)[C@H](O)[C@H](O)[C@H]3O)c2o1 in-vitro biogenic CC(=O)Cc1cc(=O)c2c(C)cc(O)c([C@@H]3O[C@H](CO)[C@H](O)[C@H](O)[C@@H]3O)c2o1 ZINC000239309359 04/06/02/560040602 HKIKAXXIWJHWLY-UELOOKOOSA-N 0 394.376 GB -0.547 2 Anodyne low GBAALN CC(=O)Cc1cc(=O)c2c(C)cc(O)c([C@@H]3O[C@H](CO)[C@H](O)[C@H](O)[C@@H]3O)c2o1 in-vitro biogenic CC(=O)Cc1cc(=O)c2c(C)cc(O)c([C@@H]3O[C@H](CO)[C@H](O)[C@H](O)[C@@H]3O)c2o1 ZINC000239309359 04/06/01/560040601 HKIKAXXIWJHWLY-UELOOKOOSA-N -1 394.376 GB -0.547 0 Anodyne ref GBAARM CC(=O)Cc1cc(=O)c2c(C)cc([O-])c([C@@H]3O[C@H](CO)[C@H](O)[C@H](O)[C@@H]3O)c2o1 in-vitro biogenic O=C(O)C[C@H]1CCC(=O)[C@@H]1C/C=C\CCO[C@@H]1O[C@@H](CO)[C@H](O)[C@@H](O)[C@@H]1O ZINC000253500687 63/45/87/527634587 JFDNMLUPLXZXGV-VPJNGABYSA-N -1 388.413 GB -0.791 0 Anodyne ref GBABRM O=C([O-])C[C@H]1CCC(=O)[C@@H]1C/C=C\CCO[C@@H]1O[C@@H](CO)[C@H](O)[C@@H](O)[C@@H]1O in-vitro biogenic C[C@H]1CC(=O)CC(C)(C)[C@@]1(O)/C=C/[C@@H](C)O[C@H]1O[C@@H](CO)[C@H](O)[C@@H](O)[C@@H]1O ZINC000253500866 85/45/36/571854536 QFTPTUOKFIIFJH-BDHXPIGVSA-N 0 388.457 GB -0.496 0 Anodyne ref GBABRN C[C@H]1CC(=O)CC(C)(C)[C@@]1(O)/C=C/[C@@H](C)O[C@H]1O[C@@H](CO)[C@H](O)[C@@H](O)[C@@H]1O in-man endogenous C[C@H](/C=C/[C@]1(O)[C@H](C)CC(=O)CC1(C)C)O[C@H]1O[C@@H](CO)[C@H](O)[C@@H](O)[C@@H]1O ZINC000253500867 85/45/59/571854559 QFTPTUOKFIIFJH-IPPLRAIXSA-N 0 388.457 GB -0.496 0 Anodyne ref GBABRN C[C@H](/C=C/[C@]1(O)[C@H](C)CC(=O)CC1(C)C)O[C@H]1O[C@@H](CO)[C@H](O)[C@@H](O)[C@@H]1O in-man endogenous C[C@H]1CC(=O)CC(C)(C)[C@]1(O)/C=C/[C@@H](C)O[C@H]1O[C@@H](CO)[C@H](O)[C@@H](O)[C@@H]1O ZINC000253500868 42/13/69/574421369 QFTPTUOKFIIFJH-MNFRVPAGSA-N 0 388.457 GB -0.496 0 Anodyne ref GBABRN C[C@H]1CC(=O)CC(C)(C)[C@]1(O)/C=C/[C@@H](C)O[C@H]1O[C@@H](CO)[C@H](O)[C@@H](O)[C@@H]1O in-man endogenous C[C@H](/C=C/[C@@]1(O)[C@H](C)CC(=O)CC1(C)C)O[C@H]1O[C@@H](CO)[C@H](O)[C@@H](O)[C@@H]1O ZINC000253500869 42/13/47/574421347 QFTPTUOKFIIFJH-VXDPPCEFSA-N 0 388.457 GB -0.496 0 Anodyne ref GBABRN C[C@H](/C=C/[C@@]1(O)[C@H](C)CC(=O)CC1(C)C)O[C@H]1O[C@@H](CO)[C@H](O)[C@@H](O)[C@@H]1O in-man endogenous C[C@H](/C=C/[C@@H]1C(CO)=CC(=O)CC1(C)C)O[C@@H]1O[C@H](CO)[C@@H](O)[C@H](O)[C@H]1O ZINC000514288286 03/53/10/560035310 AURHKHAKYLTFJN-NCHWGZSNSA-N 0 386.441 GB -0.718 0 Mild ref GBEARN C[C@H](/C=C/[C@@H]1C(CO)=CC(=O)CC1(C)C)O[C@@H]1O[C@H](CO)[C@@H](O)[C@H](O)[C@H]1O in-vitro biogenic C[C@H](/C=C/[C@]1(O)[C@H](C)CC(=O)CC1(C)C)O[C@@H]1O[C@H](CO)[C@@H](O)[C@H](O)[C@H]1O ZINC000604381413 35/22/33/570352233 QFTPTUOKFIIFJH-MIQIMNCNSA-N 0 388.457 GB -0.496 0 Anodyne ref GBABRN C[C@H](/C=C/[C@]1(O)[C@H](C)CC(=O)CC1(C)C)O[C@@H]1O[C@H](CO)[C@@H](O)[C@H](O)[C@H]1O C[C@H]1CC(=O)CC(C)(C)[C@]1(O)/C=C/[C@@H](C)O[C@@H]1O[C@H](CO)[C@@H](O)[C@H](O)[C@H]1O ZINC000604381417 35/21/50/570352150 QFTPTUOKFIIFJH-OYKKIEQHSA-N 0 388.457 GB -0.496 0 Anodyne ref GBABRN C[C@H]1CC(=O)CC(C)(C)[C@]1(O)/C=C/[C@@H](C)O[C@@H]1O[C@H](CO)[C@@H](O)[C@H](O)[C@H]1O