5282411 -OEChem-03041918263D 57 58 0 1 0 0 0 0 0999 V2000 -2.5242 0.2876 1.5118 O 0 0 0 0 0 0 0 0 0 0 0 0 -1.4595 -3.3787 -0.3403 O 0 0 0 0 0 0 0 0 0 0 0 0 3.4236 -2.8886 -2.0310 O 0 0 0 0 0 0 0 0 0 0 0 0 -3.2279 -0.6826 -1.8487 O 0 0 0 0 0 0 0 0 0 0 0 0 -4.9519 0.7341 -1.4178 O 0 0 0 0 0 0 0 0 0 0 0 0 -0.4042 -0.7216 1.9165 C 0 0 1 0 0 0 0 0 0 0 0 0 -1.9031 -0.8254 2.1781 C 0 0 2 0 0 0 0 0 0 0 0 0 -0.2014 -1.5475 0.6374 C 0 0 2 0 0 0 0 0 0 0 0 0 -1.1248 -2.7426 0.8813 C 0 0 1 0 0 0 0 0 0 0 0 0 -2.3677 -2.1363 1.5410 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.1780 0.7643 1.7677 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.5182 1.2169 1.2913 C 0 0 0 0 0 0 0 0 0 0 0 0 1.2261 -1.9326 0.4216 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.7575 2.3679 0.6557 C 0 0 0 0 0 0 0 0 0 0 0 0 1.9219 -1.6303 -0.6843 C 0 0 0 0 0 0 0 0 0 0 0 0 3.3575 -2.0210 -0.8976 C 0 0 2 0 0 0 0 0 0 0 0 0 -3.1156 2.8018 0.1857 C 0 0 0 0 0 0 0 0 0 0 0 0 4.2671 -0.8187 -1.1848 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.1518 2.9561 -1.3380 C 0 0 0 0 0 0 0 0 0 0 0 0 4.2212 0.2492 -0.0879 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.8149 1.6566 -2.0637 C 0 0 0 0 0 0 0 0 0 0 0 0 5.0668 1.4860 -0.4085 C 0 0 0 0 0 0 0 0 0 0 0 0 5.0798 2.5232 0.7150 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.7865 0.5487 -1.7430 C 0 0 0 0 0 0 0 0 0 0 0 0 5.9233 3.7333 0.3424 C 0 0 0 0 0 0 0 0 0 0 0 0 0.1766 -1.1450 2.7456 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.1525 -0.7698 3.2437 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.5635 -0.9959 -0.2424 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.6599 -3.4816 1.5458 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.1797 -1.9806 0.8220 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.7401 -2.8261 2.3068 H 0 0 0 0 0 0 0 0 0 0 0 0 0.0352 1.2175 2.7422 H 0 0 0 0 0 0 0 0 0 0 0 0 0.6330 1.0059 1.0748 H 0 0 0 0 0 0 0 0 0 0 0 0 1.7162 -2.4891 1.2172 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.1060 -4.0762 -0.1377 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.9340 3.0565 0.4816 H 0 0 0 0 0 0 0 0 0 0 0 0 1.4368 -1.0792 -1.4866 H 0 0 0 0 0 0 0 0 0 0 0 0 3.7524 -2.5724 -0.0361 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.9058 2.1259 0.5279 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.3374 3.7748 0.6410 H 0 0 0 0 0 0 0 0 0 0 0 0 3.9854 -0.3687 -2.1464 H 0 0 0 0 0 0 0 0 0 0 0 0 5.2975 -1.1719 -1.3196 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.1494 3.3030 -1.6338 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.4427 3.7328 -1.6504 H 0 0 0 0 0 0 0 0 0 0 0 0 4.5679 -0.1925 0.8545 H 0 0 0 0 0 0 0 0 0 0 0 0 3.1902 0.5820 0.0779 H 0 0 0 0 0 0 0 0 0 0 0 0 2.8866 -3.6749 -1.8320 H 0 0 0 0 0 0 0 0 0 0 0 0 4.6868 1.9496 -1.3274 H 0 0 0 0 0 0 0 0 0 0 0 0 6.0966 1.1697 -0.6167 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.8545 1.8212 -3.1463 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.7986 1.3284 -1.8211 H 0 0 0 0 0 0 0 0 0 0 0 0 4.0557 2.8489 0.9308 H 0 0 0 0 0 0 0 0 0 0 0 0 5.4778 2.0727 1.6316 H 0 0 0 0 0 0 0 0 0 0 0 0 6.9612 3.4438 0.1496 H 0 0 0 0 0 0 0 0 0 0 0 0 5.5308 4.2242 -0.5539 H 0 0 0 0 0 0 0 0 0 0 0 0 5.9199 4.4628 1.1583 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.8670 -1.3948 -1.6332 H 0 0 0 0 0 0 0 0 0 0 0 0 1 7 1 0 0 0 0 1 12 1 0 0 0 0 2 9 1 0 0 0 0 2 35 1 0 0 0 0 3 16 1 0 0 0 0 3 47 1 0 0 0 0 4 24 1 0 0 0 0 4 57 1 0 0 0 0 5 24 2 0 0 0 0 6 7 1 0 0 0 0 6 8 1 0 0 0 0 6 11 1 0 0 0 0 6 26 1 0 0 0 0 7 10 1 0 0 0 0 7 27 1 0 0 0 0 8 9 1 0 0 0 0 8 13 1 0 0 0 0 8 28 1 0 0 0 0 9 10 1 0 0 0 0 9 29 1 0 0 0 0 10 30 1 0 0 0 0 10 31 1 0 0 0 0 11 12 1 0 0 0 0 11 32 1 0 0 0 0 11 33 1 0 0 0 0 12 14 2 0 0 0 0 13 15 2 0 0 0 0 13 34 1 0 0 0 0 14 17 1 0 0 0 0 14 36 1 0 0 0 0 15 16 1 0 0 0 0 15 37 1 0 0 0 0 16 18 1 0 0 0 0 16 38 1 0 0 0 0 17 19 1 0 0 0 0 17 39 1 0 0 0 0 17 40 1 0 0 0 0 18 20 1 0 0 0 0 18 41 1 0 0 0 0 18 42 1 0 0 0 0 19 21 1 0 0 0 0 19 43 1 0 0 0 0 19 44 1 0 0 0 0 20 22 1 0 0 0 0 20 45 1 0 0 0 0 20 46 1 0 0 0 0 21 24 1 0 0 0 0 21 50 1 0 0 0 0 21 51 1 0 0 0 0 22 23 1 0 0 0 0 22 48 1 0 0 0 0 22 49 1 0 0 0 0 23 25 1 0 0 0 0 23 52 1 0 0 0 0 23 53 1 0 0 0 0 25 54 1 0 0 0 0 25 55 1 0 0 0 0 25 56 1 0 0 0 0 M END > DB01240 > drugbank > PUBCHEM > https://pubchem.ncbi.nlm.nih.gov/rest/pug/compound/inchikey/KAQKFAOMNZTLHT-OZUDYXHBSA-N/SDF?record_type=3d > [H][C@]12C[C@@H](O)[C@H](\C=C\[C@@H](O)CCCCC)[C@@]1([H])C\C(O2)=C\CCCC(O)=O > InChI=1S/C20H32O5/c1-2-3-4-7-14(21)10-11-16-17-12-15(8-5-6-9-20(23)24)25-19(17)13-18(16)22/h8,10-11,14,16-19,21-22H,2-7,9,12-13H2,1H3,(H,23,24)/b11-10+,15-8-/t14-,16+,17+,18+,19-/m0/s1 > KAQKFAOMNZTLHT-OZUDYXHBSA-N > C20H32O5 > 352.4651 > 352.224974134 > 5 > 57 > 41.08718798205852 > 1 > 3 > 0 > 1 > 5-[(2Z,3aR,4R,5R,6aS)-5-hydroxy-4-[(1E,3S)-3-hydroxyoct-1-en-1-yl]-hexahydro-2H-cyclopenta[b]furan-2-ylidene]pentanoic acid > 3.83 > 2.415704516333332 > -3.41 > 0 > 2 > -1 > 14.796424142187194 > 4.429290512385786 > -1.6260066430857807 > 86.99000000000001 > 99.00689999999999 > 10 > 1 > 1.36e-01 g/l > epoprostenol > 0 $$$$