643684 -OEChem-04202112423D 55 54 0 1 0 0 0 0 0999 V2000 2.7128 -1.5702 2.0076 O 0 0 0 0 0 0 0 0 0 0 0 0 -4.6758 -0.1147 1.4864 O 0 0 0 0 0 0 0 0 0 0 0 0 -3.9639 2.0073 1.8894 O 0 0 0 0 0 0 0 0 0 0 0 0 2.8764 -2.2930 -0.3002 C 0 0 0 0 0 0 0 0 0 0 0 0 1.5950 -3.1369 -0.2439 C 0 0 0 0 0 0 0 0 0 0 0 0 2.8953 -1.1049 0.6725 C 0 0 2 0 0 0 0 0 0 0 0 0 0.2791 -2.4171 -0.5538 C 0 0 0 0 0 0 0 0 0 0 0 0 0.9347 1.8537 -0.7472 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.4609 2.3954 -1.0711 C 0 0 0 0 0 0 0 0 0 0 0 0 2.0683 2.6881 -1.3561 C 0 0 0 0 0 0 0 0 0 0 0 0 4.1960 -0.2848 0.5999 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.9379 -3.3449 -0.5624 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.6346 1.5712 -0.5299 C 0 0 0 0 0 0 0 0 0 0 0 0 3.4597 2.1412 -1.0160 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.0362 2.0749 -0.8994 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.2209 -2.5742 -0.8747 C 0 0 0 0 0 0 0 0 0 0 0 0 4.0637 1.0959 1.1811 C 0 0 0 0 0 0 0 0 0 0 0 0 3.7353 2.1770 0.4593 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.1875 1.2015 -0.4012 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.4381 -3.4850 -0.8441 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.2606 1.1197 1.1039 C 0 0 0 0 0 0 0 0 0 0 0 0 3.7213 -2.9550 -0.0721 H 0 0 0 0 0 0 0 0 0 0 0 0 3.0178 -1.9274 -1.3244 H 0 0 0 0 0 0 0 0 0 0 0 0 1.7128 -3.9646 -0.9553 H 0 0 0 0 0 0 0 0 0 0 0 0 1.5174 -3.6015 0.7472 H 0 0 0 0 0 0 0 0 0 0 0 0 2.0447 -0.4594 0.4429 H 0 0 0 0 0 0 0 0 0 0 0 0 0.1119 -1.6281 0.1886 H 0 0 0 0 0 0 0 0 0 0 0 0 0.3653 -1.9226 -1.5292 H 0 0 0 0 0 0 0 0 0 0 0 0 1.0384 1.8055 0.3424 H 0 0 0 0 0 0 0 0 0 0 0 0 1.0060 0.8285 -1.1287 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.5634 2.4697 -2.1612 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.5432 3.4182 -0.6827 H 0 0 0 0 0 0 0 0 0 0 0 0 1.9840 3.7257 -1.0090 H 0 0 0 0 0 0 0 0 0 0 0 0 1.9553 2.7112 -2.4469 H 0 0 0 0 0 0 0 0 0 0 0 0 4.9775 -0.8003 1.1745 H 0 0 0 0 0 0 0 0 0 0 0 0 4.5775 -0.2498 -0.4251 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.7918 -4.1356 -1.3080 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.0292 -3.8345 0.4148 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.5291 0.5430 -0.8975 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.5424 1.5185 0.5615 H 0 0 0 0 0 0 0 0 0 0 0 0 4.2102 2.7684 -1.5129 H 0 0 0 0 0 0 0 0 0 0 0 0 3.5483 1.1487 -1.4628 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.1569 3.0935 -0.5100 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.1068 2.1476 -1.9916 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.3591 -1.7720 -0.1407 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.1443 -2.1034 -1.8615 H 0 0 0 0 0 0 0 0 0 0 0 0 4.2352 1.2090 2.2481 H 0 0 0 0 0 0 0 0 0 0 0 0 3.6664 3.1389 0.9606 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.1433 1.5999 -0.7580 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.0693 0.1926 -0.8135 H 0 0 0 0 0 0 0 0 0 0 0 0 2.6465 -0.7924 2.5869 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.5605 -3.9435 0.1423 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.3486 -4.2842 -1.5867 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.3441 -2.9129 -1.0673 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.7155 -0.2011 2.4627 H 0 0 0 0 0 0 0 0 0 0 0 0 1 6 1 0 0 0 0 1 51 1 0 0 0 0 2 21 1 0 0 0 0 2 55 1 0 0 0 0 3 21 2 0 0 0 0 4 5 1 0 0 0 0 4 6 1 0 0 0 0 4 22 1 0 0 0 0 4 23 1 0 0 0 0 5 7 1 0 0 0 0 5 24 1 0 0 0 0 5 25 1 0 0 0 0 6 11 1 0 0 0 0 6 26 1 0 0 0 0 7 12 1 0 0 0 0 7 27 1 0 0 0 0 7 28 1 0 0 0 0 8 9 1 0 0 0 0 8 10 1 0 0 0 0 8 29 1 0 0 0 0 8 30 1 0 0 0 0 9 13 1 0 0 0 0 9 31 1 0 0 0 0 9 32 1 0 0 0 0 10 14 1 0 0 0 0 10 33 1 0 0 0 0 10 34 1 0 0 0 0 11 17 1 0 0 0 0 11 35 1 0 0 0 0 11 36 1 0 0 0 0 12 16 1 0 0 0 0 12 37 1 0 0 0 0 12 38 1 0 0 0 0 13 15 1 0 0 0 0 13 39 1 0 0 0 0 13 40 1 0 0 0 0 14 18 1 0 0 0 0 14 41 1 0 0 0 0 14 42 1 0 0 0 0 15 19 1 0 0 0 0 15 43 1 0 0 0 0 15 44 1 0 0 0 0 16 20 1 0 0 0 0 16 45 1 0 0 0 0 16 46 1 0 0 0 0 17 18 2 0 0 0 0 17 47 1 0 0 0 0 18 48 1 0 0 0 0 19 21 1 0 0 0 0 19 49 1 0 0 0 0 19 50 1 0 0 0 0 20 52 1 0 0 0 0 20 53 1 0 0 0 0 20 54 1 0 0 0 0 M END > DB02955 > drugbank > PUBCHEM > https://pubchem.ncbi.nlm.nih.gov/rest/pug/compound/inchikey/WBHHMMIMDMUBKC-QJWNTBNXSA-N/SDF?record_type=3d > CCCCCC[C@@H](O)C\C=C/CCCCCCCC(O)=O > InChI=1S/C18H34O3/c1-2-3-4-11-14-17(19)15-12-9-7-5-6-8-10-13-16-18(20)21/h9,12,17,19H,2-8,10-11,13-16H2,1H3,(H,20,21)/b12-9-/t17-/m1/s1 > WBHHMMIMDMUBKC-QJWNTBNXSA-N > C18H34O3 > 298.467 > 298.250794955 > 3 > 55 > 0.046569141097782006 > 37.83495169461362 > 0 > 2 > 0 > 1 > (9Z,12R)-12-hydroxyoctadec-9-enoic acid > 6.14 > 5.397079924 > -5.07 > 0 > -1 > 0 > -1 > 18.401256348683585 > 4.988167501938923 > -1.311090691120916 > 57.53 > 89.0717 > 15 > 0 > 2.54e-03 g/l > ricinoleic acid > 0 $$$$