5280360 -OEChem-10051719253D 57 57 0 1 0 0 0 0 0999 V2000 4.0191 -2.6709 -0.5130 O 0 0 0 0 0 0 0 0 0 0 0 0 4.1470 1.8261 0.8402 O 0 0 0 0 0 0 0 0 0 0 0 0 -0.7521 -4.5658 -0.7371 O 0 0 0 0 0 0 0 0 0 0 0 0 -3.0274 1.3856 -2.4518 O 0 0 0 0 0 0 0 0 0 0 0 0 -0.7944 1.0297 -2.2638 O 0 0 0 0 0 0 0 0 0 0 0 0 2.2990 -1.1145 0.1831 C 0 0 2 0 0 0 0 0 0 0 0 0 2.2351 0.4108 0.3557 C 0 0 2 0 0 0 0 0 0 0 0 0 3.5621 -1.3359 -0.6598 C 0 0 1 0 0 0 0 0 0 0 0 0 4.5821 -0.3549 -0.0861 C 0 0 0 0 0 0 0 0 0 0 0 0 3.7077 0.7602 0.4264 C 0 0 0 0 0 0 0 0 0 0 0 0 1.4737 0.8455 1.5957 C 0 0 0 0 0 0 0 0 0 0 0 0 1.0678 -1.6733 -0.4551 C 0 0 0 0 0 0 0 0 0 0 0 0 0.2893 -2.6053 0.1139 C 0 0 0 0 0 0 0 0 0 0 0 0 1.4303 2.3219 1.8873 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.9469 -3.1652 -0.5321 C 0 0 2 0 0 0 0 0 0 0 0 0 -2.2022 -2.9973 0.3349 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.7616 -1.5717 0.3180 C 0 0 0 0 0 0 0 0 0 0 0 0 0.5427 3.2126 1.4193 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.9674 -1.3814 1.2439 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.5862 2.8553 0.4969 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.5721 0.0215 1.1766 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.5354 3.5864 -0.8518 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.6960 3.2416 -1.7901 C 0 0 0 0 0 0 0 0 0 0 0 0 -5.7570 0.1601 2.1208 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.7572 1.7787 -2.1722 C 0 0 0 0 0 0 0 0 0 0 0 0 2.4501 -1.5941 1.1620 H 0 0 0 0 0 0 0 0 0 0 0 0 1.8299 0.8924 -0.5439 H 0 0 0 0 0 0 0 0 0 0 0 0 3.3807 -1.1349 -1.7230 H 0 0 0 0 0 0 0 0 0 0 0 0 5.1525 -0.7873 0.7412 H 0 0 0 0 0 0 0 0 0 0 0 0 5.2615 0.0090 -0.8608 H 0 0 0 0 0 0 0 0 0 0 0 0 0.4546 0.4422 1.5680 H 0 0 0 0 0 0 0 0 0 0 0 0 1.9270 0.3732 2.4791 H 0 0 0 0 0 0 0 0 0 0 0 0 0.8013 -1.2912 -1.4378 H 0 0 0 0 0 0 0 0 0 0 0 0 0.5542 -2.9962 1.0935 H 0 0 0 0 0 0 0 0 0 0 0 0 4.8600 -2.7449 -0.9959 H 0 0 0 0 0 0 0 0 0 0 0 0 2.2072 2.6969 2.5511 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.1221 -2.7201 -1.5186 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.9894 -3.3058 1.3671 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.9797 -3.6862 -0.0212 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.0503 -1.3134 -0.7082 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.9785 -0.8629 0.6134 H 0 0 0 0 0 0 0 0 0 0 0 0 0.6332 4.2526 1.7215 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.6622 -1.5968 2.2755 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.7380 -2.1172 0.9821 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.6407 1.7783 0.3196 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.5230 3.1206 1.0038 H 0 0 0 0 0 0 0 0 0 0 0 0 0.0166 -4.6742 -1.3233 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.8112 0.7660 1.4381 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.8977 0.2364 0.1523 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.5368 4.6699 -0.6788 H 0 0 0 0 0 0 0 0 0 0 0 0 0.4129 3.3489 -1.3512 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.6374 3.5141 -1.2986 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.6143 3.8236 -2.7143 H 0 0 0 0 0 0 0 0 0 0 0 0 -6.5480 -0.5519 1.8649 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.4552 -0.0186 3.1578 H 0 0 0 0 0 0 0 0 0 0 0 0 -6.1750 1.1696 2.0577 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.0679 0.4414 -2.7148 H 0 0 0 0 0 0 0 0 0 0 0 0 1 8 1 0 0 0 0 1 35 1 0 0 0 0 2 10 2 0 0 0 0 3 15 1 0 0 0 0 3 47 1 0 0 0 0 4 25 1 0 0 0 0 4 57 1 0 0 0 0 5 25 2 0 0 0 0 6 7 1 0 0 0 0 6 8 1 0 0 0 0 6 12 1 0 0 0 0 6 26 1 0 0 0 0 7 10 1 0 0 0 0 7 11 1 0 0 0 0 7 27 1 0 0 0 0 8 9 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 9 30 1 0 0 0 0 11 14 1 0 0 0 0 11 31 1 0 0 0 0 11 32 1 0 0 0 0 12 13 2 0 0 0 0 12 33 1 0 0 0 0 13 15 1 0 0 0 0 13 34 1 0 0 0 0 14 18 2 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 17 1 0 0 0 0 16 38 1 0 0 0 0 16 39 1 0 0 0 0 17 19 1 0 0 0 0 17 40 1 0 0 0 0 17 41 1 0 0 0 0 18 20 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 48 1 0 0 0 0 21 49 1 0 0 0 0 22 23 1 0 0 0 0 22 50 1 0 0 0 0 22 51 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 24 54 1 0 0 0 0 24 55 1 0 0 0 0 24 56 1 0 0 0 0 M END > DB00917 > drugbank > PUBCHEM > https://pubchem.ncbi.nlm.nih.gov/rest/pug/compound/inchikey/XEYBRNLFEZDVAW-ARSRFYASSA-N/SDF?record_type=3d > CCCCC[C@H](O)\C=C\[C@H]1[C@H](O)CC(=O)[C@@H]1C\C=C/CCCC(O)=O > InChI=1S/C20H32O5/c1-2-3-6-9-15(21)12-13-17-16(18(22)14-19(17)23)10-7-4-5-8-11-20(24)25/h4,7,12-13,15-17,19,21,23H,2-3,5-6,8-11,14H2,1H3,(H,24,25)/b7-4-,13-12+/t15-,16+,17+,19+/m0/s1 > XEYBRNLFEZDVAW-ARSRFYASSA-N > C20H32O5 > 352.4651 > 352.224974134 > 5 > 57 > -0.9979932987263622 > 40.99510239897604 > 1 > 3 > 0 > 1 > (5Z)-7-[(1R,2R,3R)-3-hydroxy-2-[(1E,3S)-3-hydroxyoct-1-en-1-yl]-5-oxocyclopentyl]hept-5-enoic acid > 3.31 > 3.2252701369999994 > -3.90 > 0 > -1 > 1 > -1 > 14.688647998816306 > 4.303359525645325 > -1.6263175986188916 > 94.83000000000001 > 99.43509999999999 > 12 > 1 > 4.40e-02 g/l > tetrahydrofolic acid > 0 $$$$