5282381 -OEChem-10051719263D 65 65 0 1 0 0 0 0 0999 V2000 5.0749 2.9278 0.6030 O 0 0 0 0 0 0 0 0 0 0 0 0 0.6707 4.2098 -0.4119 O 0 0 0 0 0 0 0 0 0 0 0 0 3.3802 -3.1984 2.2194 O 0 0 0 0 0 0 0 0 0 0 0 0 -8.0176 -0.2665 -0.3460 O 0 0 0 0 0 0 0 0 0 0 0 0 -6.8309 -0.7696 1.5669 O 0 0 0 0 0 0 0 0 0 0 0 0 1.6545 1.9922 -0.3245 C 0 0 1 0 0 0 0 0 0 0 0 0 3.0305 1.6704 0.2783 C 0 0 2 0 0 0 0 0 0 0 0 0 3.9263 2.8117 -0.2217 C 0 0 1 0 0 0 0 0 0 0 0 0 3.0557 4.0608 -0.1056 C 0 0 0 0 0 0 0 0 0 0 0 0 0.4984 1.4023 0.4638 C 0 0 0 0 0 0 0 0 0 0 0 0 1.6666 3.5070 -0.2916 C 0 0 0 0 0 0 0 0 0 0 0 0 3.5316 0.3194 -0.1207 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.8120 1.4778 -0.3201 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.9671 0.8517 0.4632 C 0 0 0 0 0 0 0 0 0 0 0 0 3.8482 -0.6473 0.7531 C 0 0 0 0 0 0 0 0 0 0 0 0 3.4589 -3.1872 0.7908 C 0 0 2 0 0 0 0 0 0 0 0 0 4.3591 -2.0050 0.3503 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.2710 0.8980 -0.3362 C 0 0 0 0 0 0 0 0 0 0 0 0 2.0346 -2.9648 0.2236 C 0 0 0 0 0 0 0 0 0 0 0 0 4.0377 -4.5356 0.3488 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.4192 0.2407 0.4361 C 0 0 0 0 0 0 0 0 0 0 0 0 1.9544 -2.8904 -1.3071 C 0 0 0 0 0 0 0 0 0 0 0 0 0.5281 -2.5849 -1.7698 C 0 0 0 0 0 0 0 0 0 0 0 0 -5.7302 0.2466 -0.3498 C 0 0 0 0 0 0 0 0 0 0 0 0 0.4447 -2.4767 -3.2841 C 0 0 0 0 0 0 0 0 0 0 0 0 -6.8920 -0.3353 0.4249 C 0 0 0 0 0 0 0 0 0 0 0 0 -9.2154 -0.7545 0.2671 C 0 0 0 0 0 0 0 0 0 0 0 0 1.6174 1.6853 -1.3780 H 0 0 0 0 0 0 0 0 0 0 0 0 2.9760 1.7287 1.3760 H 0 0 0 0 0 0 0 0 0 0 0 0 4.2458 2.6522 -1.2591 H 0 0 0 0 0 0 0 0 0 0 0 0 3.1370 4.5321 0.8782 H 0 0 0 0 0 0 0 0 0 0 0 0 3.2936 4.7842 -0.8893 H 0 0 0 0 0 0 0 0 0 0 0 0 0.3814 1.9241 1.4219 H 0 0 0 0 0 0 0 0 0 0 0 0 0.7049 0.3507 0.6955 H 0 0 0 0 0 0 0 0 0 0 0 0 3.6431 0.1276 -1.1854 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.0695 2.5148 -0.5560 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.6958 0.9516 -1.2757 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.7230 -0.1900 0.7051 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.0987 1.3828 1.4136 H 0 0 0 0 0 0 0 0 0 0 0 0 3.7464 -0.4583 1.8189 H 0 0 0 0 0 0 0 0 0 0 0 0 5.3393 -2.1184 0.8338 H 0 0 0 0 0 0 0 0 0 0 0 0 4.5584 -2.0466 -0.7268 H 0 0 0 0 0 0 0 0 0 0 0 0 5.5709 3.7083 0.3022 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.1340 0.3817 -1.2941 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.5292 1.9394 -0.5629 H 0 0 0 0 0 0 0 0 0 0 0 0 1.5863 -2.0680 0.6698 H 0 0 0 0 0 0 0 0 0 0 0 0 1.3921 -3.7855 0.5725 H 0 0 0 0 0 0 0 0 0 0 0 0 4.1953 -4.5849 -0.7324 H 0 0 0 0 0 0 0 0 0 0 0 0 5.0011 -4.7206 0.8379 H 0 0 0 0 0 0 0 0 0 0 0 0 3.3768 -5.3578 0.6453 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.5620 0.7643 1.3899 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.1519 -0.7937 0.6862 H 0 0 0 0 0 0 0 0 0 0 0 0 2.6146 -2.1134 -1.7012 H 0 0 0 0 0 0 0 0 0 0 0 0 2.2750 -3.8417 -1.7458 H 0 0 0 0 0 0 0 0 0 0 0 0 4.2817 -3.3018 2.5691 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.1517 -3.3728 -1.4255 H 0 0 0 0 0 0 0 0 0 0 0 0 0.1859 -1.6432 -1.3251 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.6074 -0.3372 -1.2690 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.9884 1.2776 -0.6176 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.5831 -2.2604 -3.5921 H 0 0 0 0 0 0 0 0 0 0 0 0 0.7534 -3.4119 -3.7619 H 0 0 0 0 0 0 0 0 0 0 0 0 1.0868 -1.6717 -3.6558 H 0 0 0 0 0 0 0 0 0 0 0 0 -9.1083 -1.8144 0.5164 H 0 0 0 0 0 0 0 0 0 0 0 0 -9.4492 -0.1683 1.1609 H 0 0 0 0 0 0 0 0 0 0 0 0 -10.0336 -0.6434 -0.4495 H 0 0 0 0 0 0 0 0 0 0 0 0 1 8 1 0 0 0 0 1 43 1 0 0 0 0 2 11 2 0 0 0 0 3 16 1 0 0 0 0 3 55 1 0 0 0 0 4 26 1 0 0 0 0 4 27 1 0 0 0 0 5 26 2 0 0 0 0 6 7 1 0 0 0 0 6 10 1 0 0 0 0 6 11 1 0 0 0 0 6 28 1 0 0 0 0 7 8 1 0 0 0 0 7 12 1 0 0 0 0 7 29 1 0 0 0 0 8 9 1 0 0 0 0 8 30 1 0 0 0 0 9 11 1 0 0 0 0 9 31 1 0 0 0 0 9 32 1 0 0 0 0 10 13 1 0 0 0 0 10 33 1 0 0 0 0 10 34 1 0 0 0 0 12 15 2 0 0 0 0 12 35 1 0 0 0 0 13 14 1 0 0 0 0 13 36 1 0 0 0 0 13 37 1 0 0 0 0 14 18 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 40 1 0 0 0 0 16 17 1 0 0 0 0 16 19 1 0 0 0 0 16 20 1 0 0 0 0 17 41 1 0 0 0 0 17 42 1 0 0 0 0 18 21 1 0 0 0 0 18 44 1 0 0 0 0 18 45 1 0 0 0 0 19 22 1 0 0 0 0 19 46 1 0 0 0 0 19 47 1 0 0 0 0 20 48 1 0 0 0 0 20 49 1 0 0 0 0 20 50 1 0 0 0 0 21 24 1 0 0 0 0 21 51 1 0 0 0 0 21 52 1 0 0 0 0 22 23 1 0 0 0 0 22 53 1 0 0 0 0 22 54 1 0 0 0 0 23 25 1 0 0 0 0 23 56 1 0 0 0 0 23 57 1 0 0 0 0 24 26 1 0 0 0 0 24 58 1 0 0 0 0 24 59 1 0 0 0 0 25 60 1 0 0 0 0 25 61 1 0 0 0 0 25 62 1 0 0 0 0 27 63 1 0 0 0 0 27 64 1 0 0 0 0 27 65 1 0 0 0 0 M END > DB00929 > drugbank > PUBCHEM > https://pubchem.ncbi.nlm.nih.gov/rest/pug/compound/inchikey/OJLOPKGSLYJEMD-URPKTTJQSA-N/SDF?record_type=3d > CCCCC(C)(O)C\C=C\[C@H]1[C@H](O)CC(=O)[C@@H]1CCCCCCC(=O)OC > InChI=1S/C22H38O5/c1-4-5-14-22(2,26)15-10-12-18-17(19(23)16-20(18)24)11-8-6-7-9-13-21(25)27-3/h10,12,17-18,20,24,26H,4-9,11,13-16H2,1-3H3/b12-10+/t17-,18-,20-,22?/m1/s1 > OJLOPKGSLYJEMD-URPKTTJQSA-N > C22H38O5 > 382.5341 > 382.271924326 > 4 > 65 > -9.12323045761716e-09 > 45.4404919628993 > 1 > 2 > 0 > 1 > methyl 7-[(1R,2R,3R)-3-hydroxy-2-[(1E)-4-hydroxy-4-methyloct-1-en-1-yl]-5-oxocyclopentyl]heptanoate > 3.88 > 3.8577550579999986 > -4.37 > 0 > 0 > 1 > 0 > 19.226029644028184 > 14.689339625157727 > -0.950334136392576 > 83.83000000000001 > 107.87979999999999 > 14 > 1 > 1.64e-02 g/l > tetrahydrofolic acid > 0 $$$$