5283203 -OEChem-10261720023D 55 55 0 1 0 0 0 0 0999 V2000 2.1184 2.7688 -0.2090 O 0 0 0 0 0 0 0 0 0 0 0 0 -1.9987 -3.4010 1.3487 O 0 0 0 0 0 0 0 0 0 0 0 0 -0.7885 -3.7323 -0.5445 O 0 0 0 0 0 0 0 0 0 0 0 0 2.9735 1.7321 -0.7076 C 0 0 2 0 0 0 0 0 0 0 0 0 1.4839 1.5584 -0.6414 C 0 0 2 0 0 0 0 0 0 0 0 0 3.8577 1.1212 0.3113 C 0 0 0 0 0 0 0 0 0 0 0 0 0.6355 1.7035 -1.8681 C 0 0 0 0 0 0 0 0 0 0 0 0 4.4047 -0.2376 -0.0525 C 0 0 0 0 0 0 0 0 0 0 0 0 0.3586 0.4130 -2.5853 C 0 0 0 0 0 0 0 0 0 0 0 0 3.8333 -1.3978 0.3026 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.8397 -0.1478 -2.8105 C 0 0 0 0 0 0 0 0 0 0 0 0 2.5722 -1.4937 1.1100 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.1797 0.3867 -2.3966 C 0 0 0 0 0 0 0 0 0 0 0 0 1.4670 -2.3116 0.4296 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.4316 1.8606 1.2274 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.8461 -0.5131 -1.3987 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.9073 1.3856 -0.1495 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.9131 1.7600 1.4057 C 0 0 0 0 0 0 0 0 0 0 0 0 0.1815 -2.4340 1.2476 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.6170 -0.0664 -0.3959 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.4880 2.2148 2.8022 C 0 0 0 0 0 0 0 0 0 0 0 0 0.0147 2.0884 2.9953 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.8913 -3.2580 0.5793 C 0 0 0 0 0 0 0 0 0 0 0 0 3.4526 1.8921 -1.6642 H 0 0 0 0 0 0 0 0 0 0 0 0 1.0294 0.9437 0.1212 H 0 0 0 0 0 0 0 0 0 0 0 0 4.7249 1.7834 0.4383 H 0 0 0 0 0 0 0 0 0 0 0 0 3.3886 1.1158 1.3015 H 0 0 0 0 0 0 0 0 0 0 0 0 1.1296 2.3741 -2.5835 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.2815 2.2187 -1.5736 H 0 0 0 0 0 0 0 0 0 0 0 0 5.3178 -0.2630 -0.6414 H 0 0 0 0 0 0 0 0 0 0 0 0 1.2345 -0.1115 -2.9636 H 0 0 0 0 0 0 0 0 0 0 0 0 4.3070 -2.3278 -0.0004 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.8514 -1.0899 -3.3570 H 0 0 0 0 0 0 0 0 0 0 0 0 2.1587 -0.5255 1.3943 H 0 0 0 0 0 0 0 0 0 0 0 0 2.8311 -1.9887 2.0551 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.0866 1.4166 -2.0611 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.8080 0.4168 -3.2959 H 0 0 0 0 0 0 0 0 0 0 0 0 1.2303 -1.8578 -0.5413 H 0 0 0 0 0 0 0 0 0 0 0 0 1.8465 -3.3179 0.2073 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.9307 1.2724 2.0081 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.7472 2.9017 1.3691 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.7343 -1.5881 -1.5194 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.5290 2.0660 -0.9137 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.9985 1.5034 -0.1846 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.5790 0.7281 1.2510 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.4163 2.3797 0.6504 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.2293 -1.4352 1.4315 H 0 0 0 0 0 0 0 0 0 0 0 0 0.4106 -2.9013 2.2119 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.0797 -0.7903 0.2698 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.9978 1.6100 3.5612 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.7869 3.2571 2.9625 H 0 0 0 0 0 0 0 0 0 0 0 0 0.5549 2.7193 2.2829 H 0 0 0 0 0 0 0 0 0 0 0 0 0.2947 2.4026 4.0055 H 0 0 0 0 0 0 0 0 0 0 0 0 0.3439 1.0535 2.8577 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.6928 -3.9267 0.8970 H 0 0 0 0 0 0 0 0 0 0 0 0 1 4 1 0 0 0 0 1 5 1 0 0 0 0 2 23 1 0 0 0 0 2 55 1 0 0 0 0 3 23 2 0 0 0 0 4 5 1 0 0 0 0 4 6 1 0 0 0 0 4 24 1 0 0 0 0 5 7 1 0 0 0 0 5 25 1 0 0 0 0 6 8 1 0 0 0 0 6 26 1 0 0 0 0 6 27 1 0 0 0 0 7 9 1 0 0 0 0 7 28 1 0 0 0 0 7 29 1 0 0 0 0 8 10 2 0 0 0 0 8 30 1 0 0 0 0 9 11 2 0 0 0 0 9 31 1 0 0 0 0 10 12 1 0 0 0 0 10 32 1 0 0 0 0 11 13 1 0 0 0 0 11 33 1 0 0 0 0 12 14 1 0 0 0 0 12 34 1 0 0 0 0 12 35 1 0 0 0 0 13 16 1 0 0 0 0 13 36 1 0 0 0 0 13 37 1 0 0 0 0 14 19 1 0 0 0 0 14 38 1 0 0 0 0 14 39 1 0 0 0 0 15 17 1 0 0 0 0 15 18 1 0 0 0 0 15 40 1 0 0 0 0 15 41 1 0 0 0 0 16 20 2 0 0 0 0 16 42 1 0 0 0 0 17 20 1 0 0 0 0 17 43 1 0 0 0 0 17 44 1 0 0 0 0 18 21 1 0 0 0 0 18 45 1 0 0 0 0 18 46 1 0 0 0 0 19 23 1 0 0 0 0 19 47 1 0 0 0 0 19 48 1 0 0 0 0 20 49 1 0 0 0 0 21 22 1 0 0 0 0 21 50 1 0 0 0 0 21 51 1 0 0 0 0 22 52 1 0 0 0 0 22 53 1 0 0 0 0 22 54 1 0 0 0 0 M END > DBMET01604 > drugbank > PUBCHEM > https://pubchem.ncbi.nlm.nih.gov/rest/pug/compound/inchikey/DBWQSCSXHFNTMO-TYAUOURKSA-N/SDF?record_type=3d > [H]OC(=O)C([H])([H])C([H])([H])C([H])([H])C(\[H])=C(\[H])C([H])([H])C1([H])OC1([H])C([H])([H])C(\[H])=C(\[H])C([H])([H])C(\[H])=C(\[H])C([H])([H])C([H])([H])C([H])([H])C([H])([H])C([H])([H])[H] > InChI=1S/C20H32O3/c1-2-3-4-5-6-7-8-9-12-15-18-19(23-18)16-13-10-11-14-17-20(21)22/h6-7,9-10,12-13,18-19H,2-5,8,11,14-17H2,1H3,(H,21,22)/b7-6-,12-9-,13-10- > DBWQSCSXHFNTMO-TYAUOURKSA-N > C20H32O3 > 320.4663 > 320.23514489 > 3 > 55 > 38.54958923105651 > 0 > 1 > 0 > 0 > (5Z)-7-{3-[(2Z,5Z)-undeca-2,5-dien-1-yl]oxiran-2-yl}hept-5-enoic acid > 6.25 > 5.649173906 > -6.00 > 0 > 1 > -1 > 4.460725440501144 > -4.207091544372091 > 49.83 > 98.35829999999999 > 14 > 0 > 3.20e-04 g/l > 8,9-epoxyeicosatrienoic acid > 0 $$$$