6438378 -OEChem-10051722053D 63 63 0 1 0 0 0 0 0999 V2000 5.6678 1.5434 0.7694 O 0 0 0 0 0 0 0 0 0 0 0 0 2.0233 4.3701 -0.1240 O 0 0 0 0 0 0 0 0 0 0 0 0 4.5275 -3.4198 0.3842 O 0 0 0 0 0 0 0 0 0 0 0 0 -7.2439 0.5788 -0.5912 O 0 0 0 0 0 0 0 0 0 0 0 0 -6.6889 1.7144 1.3082 O 0 0 0 0 0 0 0 0 0 0 0 0 2.2000 1.9589 -0.3427 C 0 0 1 0 0 0 0 0 0 0 0 0 3.3464 1.1117 0.2305 C 0 0 2 0 0 0 0 0 0 0 0 0 4.6032 1.9345 -0.0829 C 0 0 1 0 0 0 0 0 0 0 0 0 4.1953 3.3788 0.1984 C 0 0 0 0 0 0 0 0 0 0 0 0 0.8642 1.7004 0.3316 C 0 0 0 0 0 0 0 0 0 0 0 0 2.7163 3.3608 -0.0899 C 0 0 0 0 0 0 0 0 0 0 0 0 3.3912 -0.2647 -0.3518 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.3370 2.1996 -0.4756 C 0 0 0 0 0 0 0 0 0 0 0 0 3.3076 -1.3848 0.3817 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.6782 1.9596 0.2219 C 0 0 0 0 0 0 0 0 0 0 0 0 3.3369 -2.8087 -0.1156 C 0 0 2 0 0 0 0 0 0 0 0 0 2.1291 -3.6932 0.2434 C 0 0 0 0 0 0 0 0 0 0 0 0 0.7653 -3.1856 -0.2885 C 0 0 2 0 0 0 0 0 0 0 0 0 -0.4001 -4.0843 0.1779 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.8418 2.4897 -0.6199 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.7727 -3.4055 0.0939 C 0 0 0 0 0 0 0 0 0 0 0 0 0.8356 -3.0948 -1.8184 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.9263 -4.3271 0.5007 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.1617 2.2219 0.0451 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.2964 -3.6838 0.3533 C 0 0 0 0 0 0 0 0 0 0 0 0 -5.1474 1.5214 -0.5311 C 0 0 0 0 0 0 0 0 0 0 0 0 -6.4155 1.3084 0.1914 C 0 0 0 0 0 0 0 0 0 0 0 0 2.1299 1.8237 -1.4299 H 0 0 0 0 0 0 0 0 0 0 0 0 3.2429 1.0427 1.3240 H 0 0 0 0 0 0 0 0 0 0 0 0 4.9179 1.8127 -1.1269 H 0 0 0 0 0 0 0 0 0 0 0 0 4.3651 3.6613 1.2415 H 0 0 0 0 0 0 0 0 0 0 0 0 4.7125 4.0738 -0.4678 H 0 0 0 0 0 0 0 0 0 0 0 0 0.7331 0.6226 0.4895 H 0 0 0 0 0 0 0 0 0 0 0 0 0.8461 2.1656 1.3256 H 0 0 0 0 0 0 0 0 0 0 0 0 3.4931 -0.3508 -1.4310 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.3443 1.6972 -1.4511 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.2305 3.2717 -0.6754 H 0 0 0 0 0 0 0 0 0 0 0 0 3.2085 -1.2827 1.4615 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.6735 2.4508 1.2031 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.8069 0.8845 0.4013 H 0 0 0 0 0 0 0 0 0 0 0 0 3.4609 -2.7979 -1.2041 H 0 0 0 0 0 0 0 0 0 0 0 0 6.4149 2.1405 0.5937 H 0 0 0 0 0 0 0 0 0 0 0 0 2.0775 -3.7845 1.3369 H 0 0 0 0 0 0 0 0 0 0 0 0 2.3099 -4.7138 -0.1204 H 0 0 0 0 0 0 0 0 0 0 0 0 0.5940 -2.1777 0.1100 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.4066 -5.0127 -0.4067 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.2342 -4.3746 1.2231 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.7350 3.5725 -0.7565 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.8115 2.0371 -1.6186 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.9507 -3.0568 -0.9295 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.7775 -2.5158 0.7356 H 0 0 0 0 0 0 0 0 0 0 0 0 1.1380 -4.0503 -2.2603 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.1365 -2.8259 -2.2429 H 0 0 0 0 0 0 0 0 0 0 0 0 1.5377 -2.3240 -2.1484 H 0 0 0 0 0 0 0 0 0 0 0 0 4.5855 -4.3110 -0.0007 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.8981 -5.2363 -0.1117 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.7897 -4.6409 1.5424 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.2953 2.6446 1.0381 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.4828 -3.3961 -0.6862 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.0804 -4.3832 0.6597 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.3752 -2.7875 0.9768 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.0366 1.0981 -1.5235 H 0 0 0 0 0 0 0 0 0 0 0 0 -8.1058 0.4079 -0.1549 H 0 0 0 0 0 0 0 0 0 0 0 0 1 8 1 0 0 0 0 1 42 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 27 1 0 0 0 0 4 63 1 0 0 0 0 5 27 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 14 2 0 0 0 0 12 35 1 0 0 0 0 13 15 1 0 0 0 0 13 36 1 0 0 0 0 13 37 1 0 0 0 0 14 16 1 0 0 0 0 14 38 1 0 0 0 0 15 20 1 0 0 0 0 15 39 1 0 0 0 0 15 40 1 0 0 0 0 16 17 1 0 0 0 0 16 41 1 0 0 0 0 17 18 1 0 0 0 0 17 43 1 0 0 0 0 17 44 1 0 0 0 0 18 19 1 0 0 0 0 18 22 1 0 0 0 0 18 45 1 0 0 0 0 19 21 1 0 0 0 0 19 46 1 0 0 0 0 19 47 1 0 0 0 0 20 24 1 0 0 0 0 20 48 1 0 0 0 0 20 49 1 0 0 0 0 21 23 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 23 25 1 0 0 0 0 23 56 1 0 0 0 0 23 57 1 0 0 0 0 24 26 2 0 0 0 0 24 58 1 0 0 0 0 25 59 1 0 0 0 0 25 60 1 0 0 0 0 25 61 1 0 0 0 0 26 27 1 0 0 0 0 26 62 1 0 0 0 0 M END > DB09211 > drugbank > PUBCHEM > https://pubchem.ncbi.nlm.nih.gov/rest/pug/compound/inchikey/OJZYRQPMEIEQFC-UAWLTFRCSA-N/SDF?record_type=3d > CCCC[C@H](C)C[C@H](O)\C=C\[C@H]1[C@H](O)CC(=O)[C@@H]1CCCC\C=C\C(O)=O > InChI=1S/C22H36O5/c1-3-4-9-16(2)14-17(23)12-13-19-18(20(24)15-21(19)25)10-7-5-6-8-11-22(26)27/h8,11-13,16-19,21,23,25H,3-7,9-10,14-15H2,1-2H3,(H,26,27)/b11-8+,13-12+/t16-,17+,18+,19+,21+/m0/s1 > OJZYRQPMEIEQFC-UAWLTFRCSA-N > C22H36O5 > 380.525 > 380.256274259 > 5 > 63 > 45.223300099906005 > 1 > 3 > 0 > 1 > (2E)-7-[(1R,2R,3R)-3-hydroxy-2-[(1E,3S,5S)-3-hydroxy-5-methylnon-1-en-1-yl]-5-oxocyclopentyl]hept-2-enoic acid > 4.03 > 4.316603044666667 > -4.19 > 0 > 1 > -1 > 14.680474089166317 > 4.443187933160858 > -1.4858760815986902 > 94.83 > 108.56139999999998 > 13 > 1 > 2.48e-02 g/l > limaprost > 0 $$$$