Cc1c(O)c(C)c2c(c1O)C(=O)C[C@H](c1ccc(O)cc1)O2 ZINC000000001419 25/05/91/280250591 DYHOLQACRGJEHX-CYBMUJFWSA-N -1 300.31 DG 3.127 3 Anodyne high DGAAHM Cc1c([O-])c(C)c2c(c1O)C(=O)C[C@H](c1ccc(O)cc1)O2 in-vitro biogenic Cc1c(O)c(C)c2c(c1O)C(=O)C[C@H](c1ccc(O)cc1)O2 ZINC000000001419 25/05/86/280250586 DYHOLQACRGJEHX-CYBMUJFWSA-N 0 300.31 DG 3.127 0 Anodyne ref DGAARN Cc1c(O)c(C)c2c(c1O)C(=O)C[C@H](c1ccc(O)cc1)O2 in-vitro biogenic COc1c2c(nc3occc13)[C@@](CC=C(C)C)(OC)[C@H](O)CC2 ZINC000000199444 14/56/09/431145609 RNZIQNGNLJSLHV-KDOFPFPSSA-N 0 317.385 DG 3.342 0 Anodyne ref DGAARN COc1c2c(nc3occc13)[C@@](CC=C(C)C)(OC)[C@H](O)CC2 in-vitro biogenic COc1c2c(nc3occc13)[C@](CC=C(C)C)(OC)[C@H](O)CC2 ZINC000000199449 14/53/60/431145360 RNZIQNGNLJSLHV-RDTXWAMCSA-N 0 317.385 DG 3.342 0 Anodyne ref DGAARN COc1c2c(nc3occc13)[C@](CC=C(C)C)(OC)[C@H](O)CC2 in-vitro biogenic COc1c2c(nc3occc13)[C@@](CC=C(C)C)(OC)[C@@H](O)CC2 ZINC000000199453 72/30/70/180723070 RNZIQNGNLJSLHV-KSSFIOAISA-N 0 317.385 DG 3.342 0 Anodyne ref DGAARN COc1c2c(nc3occc13)[C@@](CC=C(C)C)(OC)[C@@H](O)CC2 in-vitro biogenic COc1c2c(nc3occc13)[C@](CC=C(C)C)(OC)[C@@H](O)CC2 ZINC000000199458 18/91/45/286189145 RNZIQNGNLJSLHV-KBXCAEBGSA-N 0 317.385 DG 3.342 0 Anodyne ref DGAARN COc1c2c(nc3occc13)[C@](CC=C(C)C)(OC)[C@@H](O)CC2 in-vitro biogenic C=CC(C)(C)c1cc2cc3c(cc2oc1=O)O[C@H](C(C)(C)O)C3 ZINC000000898293 21/12/46/431211246 JCDLLLXYAICSQV-INIZCTEOSA-N 0 314.381 DG 3.331 0 Mild ref DGEARN C=CC(C)(C)c1cc2cc3c(cc2oc1=O)O[C@H](C(C)(C)O)C3 biogenic in-vivo C=C[C@H]1CN2CC[C@H]1C[C@@H]2[C@H](O)c1ccnc2ccc(OC)cc12 ZINC000001319234 21/89/97/431218997 LOUPRKONTZGTKE-AFHBHXEDSA-N 1 324.424 DG 3.173 1 Mild mid DGEAMO C=C[C@H]1C[N@@H+]2CC[C@H]1C[C@@H]2[C@H](O)c1ccnc2ccc(OC)cc12 world biogenic C=C[C@H]1CN2CC[C@H]1C[C@@H]2[C@H](O)c1ccnc2ccc(OC)cc12 ZINC000001319234 21/89/86/431218986 LOUPRKONTZGTKE-AFHBHXEDSA-N 1 324.424 DG 3.173 0 Mild ref DGEARO C=C[C@H]1C[N@H+]2CC[C@H]1C[C@@H]2[C@H](O)c1ccnc2ccc(OC)cc12 world biogenic O=C(O)c1cc(-c2ccc(O)c(O)c2)c2cc(O)c(O)cc2c1 ZINC000003646169 04/35/29/181043529 ZSKDVJYWOHBGNI-UHFFFAOYSA-N -1 312.277 DG 3.027 0 Clean ref DGCARM O=C([O-])c1cc(-c2ccc(O)c(O)c2)c2cc(O)c(O)cc2c1 in-vitro biogenic C=C[C@H]1CN2CC[C@H]1C[C@@H]2[C@@H](O)c1ccnc2ccc(OC)cc12 ZINC000003831405 29/28/61/431292861 LOUPRKONTZGTKE-LHHVKLHASA-N 1 324.424 DG 3.173 1 Mild mid DGEAMO C=C[C@H]1C[N@@H+]2CC[C@H]1C[C@@H]2[C@@H](O)c1ccnc2ccc(OC)cc12 fda biogenic C=C[C@H]1CN2CC[C@H]1C[C@@H]2[C@@H](O)c1ccnc2ccc(OC)cc12 ZINC000003831405 29/28/47/431292847 LOUPRKONTZGTKE-LHHVKLHASA-N 1 324.424 DG 3.173 0 Mild ref DGEARO C=C[C@H]1C[N@H+]2CC[C@H]1C[C@@H]2[C@@H](O)c1ccnc2ccc(OC)cc12 fda biogenic C[C@H]1CCC[C@H](O)CCC/C=C/c2cc(O)cc(O)c2C(=O)O1 ZINC000004025169 35/31/09/278353109 FPQFYIAXQDXNOR-QDKLYSGJSA-N -1 320.385 DG 3.371 3 Anodyne high DGAAHM C[C@H]1CCC[C@H](O)CCC/C=C/c2cc([O-])cc(O)c2C(=O)O1 in-man endogenous C[C@H]1CCC[C@H](O)CCC/C=C/c2cc(O)cc(O)c2C(=O)O1 ZINC000004025169 35/31/04/278353104 FPQFYIAXQDXNOR-QDKLYSGJSA-N 0 320.385 DG 3.371 0 Anodyne ref DGAARN C[C@H]1CCC[C@H](O)CCC/C=C/c2cc(O)cc(O)c2C(=O)O1 in-man endogenous C[C@H]1CCC[C@@H](O)CCC/C=C/c2cc(O)cc(O)c2C(=O)O1 ZINC000004025170 34/83/12/278348312 FPQFYIAXQDXNOR-PMRAARRBSA-N -1 320.385 DG 3.371 3 Anodyne high DGAAHM C[C@H]1CCC[C@@H](O)CCC/C=C/c2cc([O-])cc(O)c2C(=O)O1 in-vitro biogenic C[C@H]1CCC[C@@H](O)CCC/C=C/c2cc(O)cc(O)c2C(=O)O1 ZINC000004025170 34/83/08/278348308 FPQFYIAXQDXNOR-PMRAARRBSA-N 0 320.385 DG 3.371 0 Anodyne ref DGAARN C[C@H]1CCC[C@@H](O)CCC/C=C/c2cc(O)cc(O)c2C(=O)O1 in-vitro biogenic Cc1c(O)c(C)c2c(c1O)C(=O)C[C@@H](c1ccc(O)cc1)O2 ZINC000004098306 25/05/18/280250518 DYHOLQACRGJEHX-ZDUSSCGKSA-N -1 300.31 DG 3.127 3 Anodyne high DGAAHM Cc1c([O-])c(C)c2c(c1O)C(=O)C[C@@H](c1ccc(O)cc1)O2 in-vitro biogenic Cc1c(O)c(C)c2c(c1O)C(=O)C[C@@H](c1ccc(O)cc1)O2 ZINC000004098306 25/05/15/280250515 DYHOLQACRGJEHX-ZDUSSCGKSA-N 0 300.31 DG 3.127 0 Anodyne ref DGAARN Cc1c(O)c(C)c2c(c1O)C(=O)C[C@@H](c1ccc(O)cc1)O2 in-vitro biogenic CO[C@H]1/C=C/[C@@](C)(O)/C=C/C(=O)O[C@H](C)[C@@H](C)CC/C=C/1C ZINC000004214748 08/54/85/181085485 BYWWNDLILWPPJP-REXWONOSSA-N 0 308.418 DG 3.173 0 Anodyne ref DGAARN CO[C@H]1/C=C/[C@@](C)(O)/C=C/C(=O)O[C@H](C)[C@@H](C)CC/C=C/1C in-vitro biogenic C[C@@H]1CCC[C@H](O)CCC/C=C/c2cc(O)cc(O)c2C(=O)O1 ZINC000004655389 30/15/79/431301579 FPQFYIAXQDXNOR-SXIUOJOQSA-N -1 320.385 DG 3.371 3 Anodyne high DGAAHM C[C@@H]1CCC[C@H](O)CCC/C=C/c2cc([O-])cc(O)c2C(=O)O1 in-man endogenous C[C@@H]1CCC[C@H](O)CCC/C=C/c2cc(O)cc(O)c2C(=O)O1 ZINC000004655389 30/15/68/431301568 FPQFYIAXQDXNOR-SXIUOJOQSA-N 0 320.385 DG 3.371 0 Anodyne ref DGAARN C[C@@H]1CCC[C@H](O)CCC/C=C/c2cc(O)cc(O)c2C(=O)O1 in-man endogenous C[C@@H]1CCC[C@@H](O)CCC/C=C/c2cc(O)cc(O)c2C(=O)O1 ZINC000004655390 71/10/54/277711054 FPQFYIAXQDXNOR-BMCHVXJUSA-N -1 320.385 DG 3.371 3 Anodyne high DGAAHM C[C@@H]1CCC[C@@H](O)CCC/C=C/c2cc([O-])cc(O)c2C(=O)O1 in-vitro biogenic C[C@@H]1CCC[C@@H](O)CCC/C=C/c2cc(O)cc(O)c2C(=O)O1 ZINC000004655390 71/10/50/277711050 FPQFYIAXQDXNOR-BMCHVXJUSA-N 0 320.385 DG 3.371 0 Anodyne ref DGAARN C[C@@H]1CCC[C@@H](O)CCC/C=C/c2cc(O)cc(O)c2C(=O)O1 in-vitro biogenic COc1cc2c(c3oc4cccc(O)c4c(=O)c13)[C@@H]1C=CO[C@@H]1O2 ZINC000005732865 03/23/59/295032359 UTSVPXMQSFGQTM-DCXZOGHSSA-N -1 324.288 DG 3.006 3 Bother high DGBAHM COc1cc2c(c3oc4cccc([O-])c4c(=O)c13)[C@@H]1C=CO[C@@H]1O2 in-man endogenous COc1cc2c(c3oc4cccc(O)c4c(=O)c13)[C@@H]1C=CO[C@@H]1O2 ZINC000005732865 03/23/57/295032357 UTSVPXMQSFGQTM-DCXZOGHSSA-N -1 324.288 DG 3.006 3 Bother high DGBAHM COc1cc2c(c3oc4cccc(=O)c-4c([O-])c13)[C@@H]1C=CO[C@@H]1O2 in-man endogenous COc1cc2c(c3oc4cccc(O)c4c(=O)c13)[C@@H]1C=CO[C@@H]1O2 ZINC000005732865 03/23/55/295032355 UTSVPXMQSFGQTM-DCXZOGHSSA-N 0 324.288 DG 3.006 0 Bother ref DGBARN COc1cc2c(c3oc4cccc(O)c4c(=O)c13)[C@@H]1C=CO[C@@H]1O2 in-man endogenous COc1cc2c(c3oc4cccc(O)c4c(=O)c13)[C@@H]1C=CO[C@H]1O2 ZINC000005732866 03/22/69/295032269 UTSVPXMQSFGQTM-ASCAZGACSA-N -1 324.288 DG 3.006 3 Bother high DGBAHM COc1cc2c(c3oc4cccc([O-])c4c(=O)c13)[C@@H]1C=CO[C@H]1O2 in-man endogenous COc1cc2c(c3oc4cccc(O)c4c(=O)c13)[C@@H]1C=CO[C@H]1O2 ZINC000005732866 03/22/67/295032267 UTSVPXMQSFGQTM-ASCAZGACSA-N -1 324.288 DG 3.006 3 Bother high DGBAHM COc1cc2c(c3oc4cccc(=O)c-4c([O-])c13)[C@@H]1C=CO[C@H]1O2 in-man endogenous COc1cc2c(c3oc4cccc(O)c4c(=O)c13)[C@@H]1C=CO[C@H]1O2 ZINC000005732866 03/22/65/295032265 UTSVPXMQSFGQTM-ASCAZGACSA-N 0 324.288 DG 3.006 0 Bother ref DGBARN COc1cc2c(c3oc4cccc(O)c4c(=O)c13)[C@@H]1C=CO[C@H]1O2 in-man endogenous COc1cc2c(c3oc4cccc(O)c4c(=O)c13)[C@H]1C=CO[C@@H]1O2 ZINC000005732867 03/20/65/295032065 UTSVPXMQSFGQTM-NTCNTBNZSA-N -1 324.288 DG 3.006 3 Bother high DGBAHM COc1cc2c(c3oc4cccc([O-])c4c(=O)c13)[C@H]1C=CO[C@@H]1O2 in-man endogenous COc1cc2c(c3oc4cccc(O)c4c(=O)c13)[C@H]1C=CO[C@@H]1O2 ZINC000005732867 03/20/62/295032062 UTSVPXMQSFGQTM-NTCNTBNZSA-N -1 324.288 DG 3.006 3 Bother high DGBAHM COc1cc2c(c3oc4cccc(=O)c-4c([O-])c13)[C@H]1C=CO[C@@H]1O2 in-man endogenous COc1cc2c(c3oc4cccc(O)c4c(=O)c13)[C@H]1C=CO[C@@H]1O2 ZINC000005732867 03/20/56/295032056 UTSVPXMQSFGQTM-NTCNTBNZSA-N 0 324.288 DG 3.006 0 Bother ref DGBARN COc1cc2c(c3oc4cccc(O)c4c(=O)c13)[C@H]1C=CO[C@@H]1O2 in-man endogenous COc1cc2c(c3oc4cccc(O)c4c(=O)c13)[C@H]1C=CO[C@H]1O2 ZINC000005732869 03/22/97/295032297 UTSVPXMQSFGQTM-CVJBHZAOSA-N -1 324.288 DG 3.006 3 Bother high DGBAHM COc1cc2c(c3oc4cccc([O-])c4c(=O)c13)[C@H]1C=CO[C@H]1O2 in-man endogenous COc1cc2c(c3oc4cccc(O)c4c(=O)c13)[C@H]1C=CO[C@H]1O2 ZINC000005732869 03/22/95/295032295 UTSVPXMQSFGQTM-CVJBHZAOSA-N -1 324.288 DG 3.006 3 Bother high DGBAHM COc1cc2c(c3oc4cccc(=O)c-4c([O-])c13)[C@H]1C=CO[C@H]1O2 in-man endogenous COc1cc2c(c3oc4cccc(O)c4c(=O)c13)[C@H]1C=CO[C@H]1O2 ZINC000005732869 03/22/93/295032293 UTSVPXMQSFGQTM-CVJBHZAOSA-N 0 324.288 DG 3.006 0 Bother ref DGBARN COc1cc2c(c3oc4cccc(O)c4c(=O)c13)[C@H]1C=CO[C@H]1O2 in-man endogenous CC(C)[C@H]1CC[C@@]2(C)C[C@H]3[C@@H](CO)C[C@@H](O)[C@H]3[C@](C)(O)CC=C12 ZINC000005761463 28/16/26/181281626 MSKFOQCDNOFJAT-WJMILYJBSA-N 0 322.489 DG 3.135 0 Anodyne ref DGABRN CC(C)[C@H]1CC[C@@]2(C)C[C@H]3[C@@H](CO)C[C@@H](O)[C@H]3[C@](C)(O)CC=C12 in-vitro biogenic CC(C)[C@H]1CC[C@]2(C)C[C@H]3[C@@H](CO)C[C@@H](O)[C@H]3[C@](C)(O)CC=C12 ZINC000005855843 28/97/67/181289767 MSKFOQCDNOFJAT-GSFMDEFVSA-N 0 322.489 DG 3.135 0 Anodyne ref DGABRN CC(C)[C@H]1CC[C@]2(C)C[C@H]3[C@@H](CO)C[C@@H](O)[C@H]3[C@](C)(O)CC=C12 in-vitro biogenic O=C(/C=C/CCc1ccc(O)cc1)CCc1ccc(O)c(O)c1 ZINC000013341088 59/72/52/527597252 IWGKJEFGMDTVIL-DUXPYHPUSA-N 0 312.365 DG 3.494 0 Mild ref DGEARN O=C(/C=C/CCc1ccc(O)cc1)CCc1ccc(O)c(O)c1 in-vitro biogenic CCCCCCC[C@@H]1CC2=CC(=O)C(C(=O)O)=C(O)C2=CO1 ZINC000014276778 21/52/13/257215213 PHKVCHUVTDZCMQ-GFCCVEGCSA-N -1 306.358 DG 3.426 0 Mild ref DGEARM CCCCCCC[C@@H]1CC2=CC(=O)C(C(=O)[O-])C(=O)C2=CO1 in-vitro biogenic CCCCCCC[C@H]1CC2=CC(=O)C(C(=O)O)=C(O)C2=CO1 ZINC000014276781 21/54/90/257215490 PHKVCHUVTDZCMQ-LBPRGKRZSA-N -1 306.358 DG 3.426 0 Mild ref DGEARM CCCCCCC[C@H]1CC2=CC(=O)C(C(=O)[O-])C(=O)C2=CO1 in-vitro biogenic COc1cc2c(c(OC)c1)-c1cc(OC)c(OC)cc1CC2 ZINC000014650938 84/33/45/277843345 IQOUQPBWTJSPDL-UHFFFAOYSA-N 0 300.354 DG 3.487 0 Anodyne ref DGAARN COc1cc2c(c(OC)c1)-c1cc(OC)c(OC)cc1CC2 in-vitro biogenic CC(C)=CCc1c2c(cc3ccc(=O)oc13)C[C@H](C(C)(C)O)O2 ZINC000014679162 32/67/05/277326705 AOUZZRQCLQLQIF-OAHLLOKOSA-N 0 314.381 DG 3.376 0 Anodyne ref DGAARN CC(C)=CCc1c2c(cc3ccc(=O)oc13)C[C@H](C(C)(C)O)O2 in-vitro biogenic CC(C)=CCc1c2c(cc3ccc(=O)oc13)C[C@@H](C(C)(C)O)O2 ZINC000014679164 32/67/00/277326700 AOUZZRQCLQLQIF-HNNXBMFYSA-N 0 314.381 DG 3.376 0 Anodyne ref DGAARN CC(C)=CCc1c2c(cc3ccc(=O)oc13)C[C@@H](C(C)(C)O)O2 in-vitro biogenic C[C@@H]1Cc2cc(O)c(O)cc2[C@@H](c2ccc(O)c(O)c2)[C@@H]1C ZINC000014726789 59/42/81/431594281 MUBLYIKZGKHTMF-CLFVBBPSSA-N 0 300.354 DG 3.469 0 Clean ref DGCARN C[C@@H]1Cc2cc(O)c(O)cc2[C@@H](c2ccc(O)c(O)c2)[C@@H]1C in-vitro biogenic C[C@H]1Cc2cc(O)c(O)cc2[C@@H](c2ccc(O)c(O)c2)[C@@H]1C ZINC000014726791 12/01/79/280120179 MUBLYIKZGKHTMF-XVYUCKLSSA-N 0 300.354 DG 3.469 0 Clean ref DGCBRN C[C@H]1Cc2cc(O)c(O)cc2[C@@H](c2ccc(O)c(O)c2)[C@@H]1C in-vitro biogenic C[C@@H]1Cc2cc(O)c(O)cc2[C@H](c2ccc(O)c(O)c2)[C@@H]1C ZINC000014726793 59/64/38/431596438 MUBLYIKZGKHTMF-MHNGPXOMSA-N 0 300.354 DG 3.469 0 Clean ref DGCARN C[C@@H]1Cc2cc(O)c(O)cc2[C@H](c2ccc(O)c(O)c2)[C@@H]1C in-vitro biogenic C[C@H]1Cc2cc(O)c(O)cc2[C@H](c2ccc(O)c(O)c2)[C@@H]1C ZINC000014726795 59/46/03/431594603 MUBLYIKZGKHTMF-VOQFUICPSA-N 0 300.354 DG 3.469 0 Clean ref DGCBRN C[C@H]1Cc2cc(O)c(O)cc2[C@H](c2ccc(O)c(O)c2)[C@@H]1C in-vitro biogenic COc1cc(O)c2c(c1OC)O[C@H](c1ccccc1)CC2=O ZINC000014807136 83/36/13/277833613 VPGMCCIECGDASG-ZDUSSCGKSA-N 0 300.31 DG 3.116 0 Anodyne ref DGAARN COc1cc(O)c2c(c1OC)O[C@H](c1ccccc1)CC2=O in-vitro biogenic COc1cc(O)c2c(c1OC)O[C@@H](c1ccccc1)CC2=O ZINC000014807139 83/38/70/277833870 VPGMCCIECGDASG-CYBMUJFWSA-N 0 300.31 DG 3.116 0 Anodyne ref DGAARN COc1cc(O)c2c(c1OC)O[C@@H](c1ccccc1)CC2=O in-vitro biogenic COc1ccccc1-c1cc(=O)c2c(OC)c(OC)ccc2o1 ZINC000014807241 59/55/24/431595524 IQWXFMQSQNSHKI-UHFFFAOYSA-N 0 312.321 DG 3.486 0 Anodyne ref DGAARN COc1ccccc1-c1cc(=O)c2c(OC)c(OC)ccc2o1 in-man endogenous OC[C@@H](O)C(c1c[nH]c2ccccc12)c1c[nH]c2ccccc12 ZINC000015119174 60/34/02/431603402 OGXNFSOEIVPPSG-GOSISDBHSA-N 0 306.365 DG 3.134 0 Anodyne ref DGABRN OC[C@@H](O)C(c1c[nH]c2ccccc12)c1c[nH]c2ccccc12 in-vitro biogenic OC[C@H](O)C(c1c[nH]c2ccccc12)c1c[nH]c2ccccc12 ZINC000015119175 60/41/68/431604168 OGXNFSOEIVPPSG-SFHVURJKSA-N 0 306.365 DG 3.134 0 Anodyne ref DGABRN OC[C@H](O)C(c1c[nH]c2ccccc12)c1c[nH]c2ccccc12 in-vitro biogenic COc1cc(OC)cc([C@@H](C)C(=O)c2ccc(O)cc2O)c1 ZINC000031160411 75/30/91/431753091 TURHNAJJDDIVGC-SNVBAGLBSA-N -1 302.326 DG 3.101 1 Anodyne mid DGAAMM COc1cc(OC)cc([C@@H](C)C(=O)c2ccc([O-])cc2O)c1 in-vitro biogenic COc1cc(OC)cc([C@@H](C)C(=O)c2ccc(O)cc2O)c1 ZINC000031160411 75/30/85/431753085 TURHNAJJDDIVGC-SNVBAGLBSA-N 0 302.326 DG 3.101 0 Anodyne ref DGAARN COc1cc(OC)cc([C@@H](C)C(=O)c2ccc(O)cc2O)c1 in-vitro biogenic COc1cc(OC)cc([C@H](C)C(=O)c2ccc(O)cc2O)c1 ZINC000031160416 75/21/16/431752116 TURHNAJJDDIVGC-JTQLQIEISA-N -1 302.326 DG 3.101 1 Anodyne mid DGAAMM COc1cc(OC)cc([C@H](C)C(=O)c2ccc([O-])cc2O)c1 in-vitro biogenic COc1cc(OC)cc([C@H](C)C(=O)c2ccc(O)cc2O)c1 ZINC000031160416 75/21/08/431752108 TURHNAJJDDIVGC-JTQLQIEISA-N 0 302.326 DG 3.101 0 Anodyne ref DGAARN COc1cc(OC)cc([C@H](C)C(=O)c2ccc(O)cc2O)c1 in-vitro biogenic COc1cc(O)c(O)c(OC)c1C(=O)/C=C/c1ccccc1 ZINC000031165514 78/26/68/522782668 VMTHPSSNJFUGBF-CMDGGOBGSA-N -1 300.31 DG 3.011 3 Mild high DGEAHM COc1cc([O-])c(O)c(OC)c1C(=O)/C=C/c1ccccc1 in-vitro biogenic COc1cc(O)c(O)c(OC)c1C(=O)/C=C/c1ccccc1 ZINC000031165514 78/26/35/522782635 VMTHPSSNJFUGBF-CMDGGOBGSA-N 0 300.31 DG 3.011 0 Mild ref DGEARN COc1cc(O)c(O)c(OC)c1C(=O)/C=C/c1ccccc1 in-vitro biogenic CC1(C)CCC[C@@]2(C)[C@H](CC/C(=C/CO)CO)C(CO)=CC[C@H]12 ZINC000031165817 75/31/49/431753149 QKFYQBBBSKOMPQ-ZMYBETPQSA-N 0 322.489 DG 3.449 0 Anodyne ref DGAARN CC1(C)CCC[C@@]2(C)[C@H](CC/C(=C/CO)CO)C(CO)=CC[C@H]12 in-vitro biogenic CC1(C)CCC[C@@]2(C)[C@H](CC/C(=C/CO)CO)C(CO)=CC[C@@H]12 ZINC000031165820 60/77/46/182607746 QKFYQBBBSKOMPQ-MWDXROBDSA-N 0 322.489 DG 3.449 0 Anodyne ref DGAARN CC1(C)CCC[C@@]2(C)[C@H](CC/C(=C/CO)CO)C(CO)=CC[C@@H]12 in-vitro biogenic COc1cc2c(cc1O)[C@]1(C)CC[C@H](O)C(C)(C)[C@H]1CC2=O ZINC000031168443 75/35/96/431753596 JKTSDLANZJEZMK-RYRKJORJSA-N -1 304.386 DG 3.042 3 Anodyne high DGAAHM COc1cc2c(cc1[O-])[C@]1(C)CC[C@H](O)C(C)(C)[C@H]1CC2=O in-vitro biogenic COc1cc2c(cc1O)[C@]1(C)CC[C@H](O)C(C)(C)[C@H]1CC2=O ZINC000031168443 75/35/91/431753591 JKTSDLANZJEZMK-RYRKJORJSA-N 0 304.386 DG 3.042 0 Anodyne ref DGAARN COc1cc2c(cc1O)[C@]1(C)CC[C@H](O)C(C)(C)[C@H]1CC2=O in-vitro biogenic COc1cc2c(cc1O)[C@]1(C)CC[C@H](O)C(C)(C)[C@@H]1CC2=O ZINC000031168446 75/31/07/431753107 JKTSDLANZJEZMK-BQFCYCMXSA-N -1 304.386 DG 3.042 3 Anodyne high DGAAHM COc1cc2c(cc1[O-])[C@]1(C)CC[C@H](O)C(C)(C)[C@@H]1CC2=O in-vitro biogenic COc1cc2c(cc1O)[C@]1(C)CC[C@H](O)C(C)(C)[C@@H]1CC2=O ZINC000031168446 75/30/99/431753099 JKTSDLANZJEZMK-BQFCYCMXSA-N 0 304.386 DG 3.042 0 Anodyne ref DGAARN COc1cc2c(cc1O)[C@]1(C)CC[C@H](O)C(C)(C)[C@@H]1CC2=O in-vitro biogenic COc1cc2c(cc1O)[C@]1(C)CC[C@@H](O)C(C)(C)[C@H]1CC2=O ZINC000031168450 75/25/29/431752529 JKTSDLANZJEZMK-NUJGCVRESA-N -1 304.386 DG 3.042 3 Anodyne high DGAAHM COc1cc2c(cc1[O-])[C@]1(C)CC[C@@H](O)C(C)(C)[C@H]1CC2=O in-vitro biogenic COc1cc2c(cc1O)[C@]1(C)CC[C@@H](O)C(C)(C)[C@H]1CC2=O ZINC000031168450 75/25/24/431752524 JKTSDLANZJEZMK-NUJGCVRESA-N 0 304.386 DG 3.042 0 Anodyne ref DGAARN COc1cc2c(cc1O)[C@]1(C)CC[C@@H](O)C(C)(C)[C@H]1CC2=O in-vitro biogenic COc1cc2c(cc1O)[C@]1(C)CC[C@@H](O)C(C)(C)[C@@H]1CC2=O ZINC000031168454 75/18/22/431751822 JKTSDLANZJEZMK-JZXOWHBKSA-N -1 304.386 DG 3.042 3 Anodyne high DGAAHM COc1cc2c(cc1[O-])[C@]1(C)CC[C@@H](O)C(C)(C)[C@@H]1CC2=O in-vitro biogenic COc1cc2c(cc1O)[C@]1(C)CC[C@@H](O)C(C)(C)[C@@H]1CC2=O ZINC000031168454 75/18/09/431751809 JKTSDLANZJEZMK-JZXOWHBKSA-N 0 304.386 DG 3.042 0 Anodyne ref DGAARN COc1cc2c(cc1O)[C@]1(C)CC[C@@H](O)C(C)(C)[C@@H]1CC2=O in-vitro biogenic C=C1C[C@]23CC(=O)[C@H]4C(CO)(CO)CCC[C@@]4(C)[C@H]2CC[C@H]1C3 ZINC000035454612 83/06/31/431830631 PKKZJBBNWQFEBZ-ANSOJVFESA-N 0 318.457 DG 3.099 0 Mild ref DGEBRN C=C1C[C@]23CC(=O)[C@H]4C(CO)(CO)CCC[C@@]4(C)[C@H]2CC[C@H]1C3 in-vitro biogenic C=C1C[C@]23CC(=O)[C@H]4C(CO)(CO)CCC[C@]4(C)[C@H]2CC[C@H]1C3 ZINC000035454616 77/70/57/182777057 PKKZJBBNWQFEBZ-FXTJJVCJSA-N 0 318.457 DG 3.099 0 Mild ref DGEBRN C=C1C[C@]23CC(=O)[C@H]4C(CO)(CO)CCC[C@]4(C)[C@H]2CC[C@H]1C3 in-vitro biogenic C=C1C[C@]23CC(=O)[C@@H]4C(CO)(CO)CCC[C@@]4(C)[C@H]2CC[C@H]1C3 ZINC000035454620 81/48/42/277814842 PKKZJBBNWQFEBZ-IZOMPHCZSA-N 0 318.457 DG 3.099 0 Mild ref DGEBRN C=C1C[C@]23CC(=O)[C@@H]4C(CO)(CO)CCC[C@@]4(C)[C@H]2CC[C@H]1C3 in-vitro biogenic C=C1C[C@]23CC(=O)[C@@H]4C(CO)(CO)CCC[C@]4(C)[C@H]2CC[C@H]1C3 ZINC000035454623 83/00/86/431830086 PKKZJBBNWQFEBZ-SEEKVXKWSA-N 0 318.457 DG 3.099 0 Mild ref DGEBRN C=C1C[C@]23CC(=O)[C@@H]4C(CO)(CO)CCC[C@]4(C)[C@H]2CC[C@H]1C3 in-vitro biogenic CC(C)CCCCCCCCCCC(=O)OC[C@H](O)CO ZINC000035455971 83/10/22/431831022 ZGNRVILZVRTZON-MRXNPFEDSA-N 0 302.455 DG 3.44 0 Anodyne ref DGAARN CC(C)CCCCCCCCCCC(=O)OC[C@H](O)CO in-vitro biogenic CC(C)CCCCCCCCCCC(=O)OC[C@@H](O)CO ZINC000035455975 83/14/21/431831421 ZGNRVILZVRTZON-INIZCTEOSA-N 0 302.455 DG 3.44 0 Anodyne ref DGAARN CC(C)CCCCCCCCCCC(=O)OC[C@@H](O)CO in-vitro biogenic COc1cc2c(cc1O)[C@@]1(C)CC[C@@H](O)C(C)(C)[C@H]1CC2=O ZINC000035465000 83/14/37/431831437 JKTSDLANZJEZMK-JFIYKMOQSA-N -1 304.386 DG 3.042 3 Anodyne high DGABHM COc1cc2c(cc1[O-])[C@@]1(C)CC[C@@H](O)C(C)(C)[C@H]1CC2=O in-vitro biogenic COc1cc2c(cc1O)[C@@]1(C)CC[C@@H](O)C(C)(C)[C@H]1CC2=O ZINC000035465000 83/14/33/431831433 JKTSDLANZJEZMK-JFIYKMOQSA-N 0 304.386 DG 3.042 0 Anodyne ref DGABRN COc1cc2c(cc1O)[C@@]1(C)CC[C@@H](O)C(C)(C)[C@H]1CC2=O in-vitro biogenic COc1cc2c(cc1O)[C@@]1(C)CC[C@H](O)C(C)(C)[C@H]1CC2=O ZINC000035465002 83/06/75/431830675 JKTSDLANZJEZMK-SOLBZPMBSA-N -1 304.386 DG 3.042 3 Anodyne high DGABHM COc1cc2c(cc1[O-])[C@@]1(C)CC[C@H](O)C(C)(C)[C@H]1CC2=O in-vitro biogenic COc1cc2c(cc1O)[C@@]1(C)CC[C@H](O)C(C)(C)[C@H]1CC2=O ZINC000035465002 83/06/70/431830670 JKTSDLANZJEZMK-SOLBZPMBSA-N 0 304.386 DG 3.042 0 Anodyne ref DGABRN COc1cc2c(cc1O)[C@@]1(C)CC[C@H](O)C(C)(C)[C@H]1CC2=O in-vitro biogenic CCCCCc1cc(OC)c2c(c1C(=O)O)OC(C)(C)[C@H](O)C2 ZINC000036375307 83/88/54/431838854 PHGWUQBLUYCCIS-CQSZACIVSA-N -1 322.401 DG 3.201 0 Anodyne ref DGAARM CCCCCc1cc(OC)c2c(c1C(=O)[O-])OC(C)(C)[C@H](O)C2 in-vitro biogenic CCCCCc1cc(OC)c2c(c1C(=O)O)OC(C)(C)[C@@H](O)C2 ZINC000036375308 83/83/39/431838339 PHGWUQBLUYCCIS-AWEZNQCLSA-N -1 322.401 DG 3.201 0 Anodyne ref DGAARM CCCCCc1cc(OC)c2c(c1C(=O)[O-])OC(C)(C)[C@@H](O)C2 in-vitro biogenic C=C1C[C@]23C[C@H]1CC[C@H]2[C@@]1(C)CCC[C@@]2(C)C(=O)O[C@H]([C@H]21)[C@@H]3O ZINC000049601408 74/73/93/183747393 AHKUFTRUMQKIPH-VQFHSHCMSA-N 0 316.441 DG 3.462 0 Mild ref DGEARN C=C1C[C@]23C[C@H]1CC[C@H]2[C@@]1(C)CCC[C@@]2(C)C(=O)O[C@H]([C@H]21)[C@@H]3O in-vitro biogenic C=C(COC(=O)CC(C)C)[C@@H]1Cc2cc(C(C)=O)ccc2O1 ZINC000067911608 04/66/76/432046676 QKDHVEHKHGYWMD-KRWDZBQOSA-N 0 302.37 DG 3.338 0 Mild ref DGEARN C=C(COC(=O)CC(C)C)[C@@H]1Cc2cc(C(C)=O)ccc2O1 in-vitro biogenic C=C(COC(=O)CC(C)C)[C@H]1Cc2cc(C(C)=O)ccc2O1 ZINC000067911610 04/70/96/432047096 QKDHVEHKHGYWMD-QGZVFWFLSA-N 0 302.37 DG 3.338 0 Mild ref DGEARN C=C(COC(=O)CC(C)C)[C@H]1Cc2cc(C(C)=O)ccc2O1 in-vitro biogenic CC1=CC(=O)C[C@H]2[C@@H]1CC[C@@H](C)[C@]21CO[C@H](c2ccoc2)C1=O ZINC000067912613 04/69/38/432046938 BGKIISXUCXQGJO-PITHAFQJSA-N 0 314.381 DG 3.488 0 Mild ref DGEBRN CC1=CC(=O)C[C@H]2[C@@H]1CC[C@@H](C)[C@]21CO[C@H](c2ccoc2)C1=O in-vitro biogenic COC(=O)/C=C/C(C)=C/C[C@@H](O)/C(C)=C/CC[C@H](C)[C@@H](C)O ZINC000067913476 04/69/28/432046928 NLZZWSRYPUGPEO-HVFVREGKSA-N 0 310.434 DG 3.156 0 Anodyne ref DGABRN COC(=O)/C=C/C(C)=C/C[C@@H](O)/C(C)=C/CC[C@H](C)[C@@H](C)O in-vitro biogenic COC(=O)/C=C/C(C)=C/C[C@@H](O)/C(C)=C/CC[C@@H](C)[C@@H](C)O ZINC000067913477 04/62/66/432046266 NLZZWSRYPUGPEO-OMFAJKETSA-N 0 310.434 DG 3.156 0 Anodyne ref DGABRN COC(=O)/C=C/C(C)=C/C[C@@H](O)/C(C)=C/CC[C@@H](C)[C@@H](C)O in-vitro biogenic COC(=O)/C=C/C(C)=C/C[C@H](O)/C(C)=C/CC[C@H](C)[C@@H](C)O ZINC000067913479 04/60/60/432046060 NLZZWSRYPUGPEO-UGXXVVHASA-N 0 310.434 DG 3.156 0 Anodyne ref DGAARN COC(=O)/C=C/C(C)=C/C[C@H](O)/C(C)=C/CC[C@H](C)[C@@H](C)O in-vitro biogenic COC(=O)/C=C/C(C)=C/C[C@H](O)/C(C)=C/CC[C@@H](C)[C@@H](C)O ZINC000067913481 04/67/44/432046744 NLZZWSRYPUGPEO-LWGGCWCKSA-N 0 310.434 DG 3.156 0 Anodyne ref DGAARN COC(=O)/C=C/C(C)=C/C[C@H](O)/C(C)=C/CC[C@@H](C)[C@@H](C)O in-vitro biogenic CC1(C)CCC[C@]2(C)[C@@H]1CC(=O)[C@]13C[C@H](CC[C@@H]12)[C@](O)(CO)C3 ZINC000072320296 12/06/57/191120657 CNEAFYADRZPYEP-WDHWYFMBSA-N 0 320.473 DG 3.322 0 Anodyne ref DGABRN CC1(C)CCC[C@]2(C)[C@@H]1CC(=O)[C@]13C[C@H](CC[C@@H]12)[C@](O)(CO)C3 in-vitro biogenic CC1(C)CCC[C@@]2(C)[C@@H]1CC(=O)[C@]13C[C@H](CC[C@@H]12)[C@](O)(CO)C3 ZINC000072320297 12/07/92/191120792 CNEAFYADRZPYEP-CMJCVQFHSA-N 0 320.473 DG 3.322 0 Anodyne ref DGABRN CC1(C)CCC[C@@]2(C)[C@@H]1CC(=O)[C@]13C[C@H](CC[C@@H]12)[C@](O)(CO)C3 in-vitro biogenic CC1(C)CCC[C@]2(C)[C@H]1CC(=O)[C@]13C[C@H](CC[C@@H]12)[C@](O)(CO)C3 ZINC000072320298 12/04/37/191120437 CNEAFYADRZPYEP-WXGLRWSMSA-N 0 320.473 DG 3.322 0 Anodyne ref DGABRN CC1(C)CCC[C@]2(C)[C@H]1CC(=O)[C@]13C[C@H](CC[C@@H]12)[C@](O)(CO)C3 in-vitro biogenic CC1(C)CCC[C@@]2(C)[C@H]1CC(=O)[C@]13C[C@H](CC[C@@H]12)[C@](O)(CO)C3 ZINC000072320299 12/11/29/191121129 CNEAFYADRZPYEP-NJQZYEBPSA-N 0 320.473 DG 3.322 0 Anodyne ref DGABRN CC1(C)CCC[C@@]2(C)[C@H]1CC(=O)[C@]13C[C@H](CC[C@@H]12)[C@](O)(CO)C3 in-vitro biogenic C=C[C@]1(C)C=C2C(=O)OC(=O)C3=C(CCCC3(C)C)[C@]2(O)CC1 ZINC000097971760 91/41/30/290914130 SPAOQMDWHWSIOV-RBUKOAKNSA-N 0 316.397 DG 3.22 0 Reactive ref DGGERN C=C[C@]1(C)C=C2C(=O)OC(=O)C3=C(CCCC3(C)C)[C@]2(O)CC1 C=C[C@@]1(C)C=C2C(=O)OC(=O)C3=C(CCCC3(C)C)[C@]2(O)CC1 ZINC000097971761 91/37/79/290913779 SPAOQMDWHWSIOV-RTBURBONSA-N 0 316.397 DG 3.22 0 Reactive ref DGGERN C=C[C@@]1(C)C=C2C(=O)OC(=O)C3=C(CCCC3(C)C)[C@]2(O)CC1 C=C[C@]1(C)C=C2C(=O)OC(=O)C3=C(CCCC3(C)C)[C@@]2(O)CC1 ZINC000097971762 05/33/56/560053356 SPAOQMDWHWSIOV-OALUTQOASA-N 0 316.397 DG 3.22 0 Reactive ref DGGERN C=C[C@]1(C)C=C2C(=O)OC(=O)C3=C(CCCC3(C)C)[C@@]2(O)CC1 C=C[C@@]1(C)C=C2C(=O)OC(=O)C3=C(CCCC3(C)C)[C@@]2(O)CC1 ZINC000097971763 91/38/09/290913809 SPAOQMDWHWSIOV-MOPGFXCFSA-N 0 316.397 DG 3.22 0 Reactive ref DGGERN C=C[C@@]1(C)C=C2C(=O)OC(=O)C3=C(CCCC3(C)C)[C@@]2(O)CC1 C[C@@H]1[C@@H](c2ccc(O)c(O)c2)c2cc(O)c(O)cc2C[C@H]1C ZINC000104648782 80/53/94/288805394 MUBLYIKZGKHTMF-JJQCHNSYSA-N 0 300.354 DG 3.469 0 Clean ref DGCARN C[C@@H]1[C@@H](c2ccc(O)c(O)c2)c2cc(O)c(O)cc2C[C@H]1C in-vitro biogenic COC(=O)/C=C/C(C)=C/C[C@H](O)/C(C)=C/CC[C@H](C)[C@H](C)O ZINC000107434046 03/27/51/432032751 NLZZWSRYPUGPEO-UHWLFEKZSA-N 0 310.434 DG 3.156 0 Anodyne ref DGAARN COC(=O)/C=C/C(C)=C/C[C@H](O)/C(C)=C/CC[C@H](C)[C@H](C)O in-vitro biogenic COC(=O)/C=C/C(C)=C/C[C@H](O)/C(C)=C/CC[C@@H](C)[C@H](C)O ZINC000107434050 48/04/97/185480497 NLZZWSRYPUGPEO-BSIYYOSESA-N 0 310.434 DG 3.156 0 Anodyne ref DGAARN COC(=O)/C=C/C(C)=C/C[C@H](O)/C(C)=C/CC[C@@H](C)[C@H](C)O in-vitro biogenic C=C1C[C@@]23CC[C@@H]4C(C)(C)C(=O)CC[C@@]4(C)[C@@H]2C[C@@H]1[C@@H](O)C3=O ZINC000169525207 07/14/27/432071427 UQKJSKXVMBIKGF-IAPRJYDESA-N 0 316.441 DG 3.304 0 Mild ref DGEARN C=C1C[C@@]23CC[C@@H]4C(C)(C)C(=O)CC[C@@]4(C)[C@@H]2C[C@@H]1[C@@H](O)C3=O in-vitro biogenic