5312153 -OEChem-10051722513D 63 64 0 1 0 0 0 0 0999 V2000 -2.5606 -1.4845 2.6320 S 0 0 0 0 0 0 0 0 0 0 0 0 5.0708 2.7260 1.2378 O 0 0 0 0 0 0 0 0 0 0 0 0 6.0140 -1.5372 -0.4961 O 0 0 0 0 0 0 0 0 0 0 0 0 0.1312 4.0109 0.8137 O 0 0 0 0 0 0 0 0 0 0 0 0 -2.1927 2.7107 -0.1508 O 0 0 0 0 0 0 0 0 0 0 0 0 -2.2685 -3.5574 0.3164 O 0 0 0 0 0 0 0 0 0 0 0 0 -1.7309 -2.5149 3.2259 O 0 0 0 0 0 0 0 0 0 0 0 0 -2.6892 -0.1806 3.2521 O 0 0 0 0 0 0 0 0 0 0 0 0 -2.1279 -1.3133 0.9891 N 0 0 0 0 0 0 0 0 0 0 0 0 3.7071 1.0707 0.1125 C 0 0 2 0 0 0 0 0 0 0 0 0 3.8768 -0.4211 -0.2132 C 0 0 2 0 0 0 0 0 0 0 0 0 4.7801 1.3387 1.1763 C 0 0 1 0 0 0 0 0 0 0 0 0 6.0003 0.5571 0.6946 C 0 0 0 0 0 0 0 0 0 0 0 0 5.3757 -0.5854 -0.0639 C 0 0 0 0 0 0 0 0 0 0 0 0 3.3859 -0.7946 -1.6008 C 0 0 0 0 0 0 0 0 0 0 0 0 2.3268 1.4038 0.5810 C 0 0 0 0 0 0 0 0 0 0 0 0 3.2505 -2.2806 -1.7439 C 0 0 0 0 0 0 0 0 0 0 0 0 1.5293 2.2982 -0.0211 C 0 0 0 0 0 0 0 0 0 0 0 0 0.1425 2.6322 0.4528 C 0 0 2 0 0 0 0 0 0 0 0 0 2.1340 -2.9624 -1.4488 C 0 0 0 0 0 0 0 0 0 0 0 0 0.8780 -2.3191 -0.9370 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.8973 2.3945 -0.6392 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.3510 -2.6275 -1.8014 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.6417 -1.9444 -1.3491 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.0510 -2.3823 0.0396 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.2454 2.0213 -0.6955 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.1753 1.5670 -2.0125 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.3868 1.7746 0.0675 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.1919 -2.1604 2.4393 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.2466 0.8663 -2.5667 C 0 0 0 0 0 0 0 0 0 0 0 0 -5.4580 1.0739 -0.4867 C 0 0 0 0 0 0 0 0 0 0 0 0 -5.3879 0.6197 -1.8039 C 0 0 0 0 0 0 0 0 0 0 0 0 3.9446 1.6726 -0.7778 H 0 0 0 0 0 0 0 0 0 0 0 0 3.4038 -1.0330 0.5670 H 0 0 0 0 0 0 0 0 0 0 0 0 4.4622 0.9958 2.1687 H 0 0 0 0 0 0 0 0 0 0 0 0 6.6305 1.1465 0.0222 H 0 0 0 0 0 0 0 0 0 0 0 0 6.5919 0.1874 1.5359 H 0 0 0 0 0 0 0 0 0 0 0 0 4.0998 -0.4521 -2.3620 H 0 0 0 0 0 0 0 0 0 0 0 0 2.4503 -0.2838 -1.8500 H 0 0 0 0 0 0 0 0 0 0 0 0 1.9611 0.8797 1.4612 H 0 0 0 0 0 0 0 0 0 0 0 0 5.8073 2.8410 1.8622 H 0 0 0 0 0 0 0 0 0 0 0 0 4.1175 -2.8324 -2.0973 H 0 0 0 0 0 0 0 0 0 0 0 0 1.8910 2.8284 -0.8992 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.1339 2.0637 1.3486 H 0 0 0 0 0 0 0 0 0 0 0 0 2.1324 -4.0423 -1.5699 H 0 0 0 0 0 0 0 0 0 0 0 0 0.7077 -2.7150 0.0725 H 0 0 0 0 0 0 0 0 0 0 0 0 0.9581 -1.2368 -0.8137 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.6933 3.0426 -1.5008 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.8243 1.3442 -0.9475 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.1477 -2.3191 -2.8350 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.5072 -3.7140 -1.8271 H 0 0 0 0 0 0 0 0 0 0 0 0 0.7595 4.1307 1.5465 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.5138 -0.8599 -1.3888 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.4602 -2.2000 -2.0313 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.0162 -0.3507 0.6461 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.3171 1.7606 -2.6490 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.4459 2.1240 1.0946 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.6366 -2.2412 3.4342 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.7891 -1.4795 1.8297 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.1389 -3.1512 1.9888 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.1945 0.5169 -3.5937 H 0 0 0 0 0 0 0 0 0 0 0 0 -6.3461 0.8805 0.1078 H 0 0 0 0 0 0 0 0 0 0 0 0 -6.2222 0.0744 -2.2353 H 0 0 0 0 0 0 0 0 0 0 0 0 1 7 2 0 0 0 0 1 8 2 0 0 0 0 1 9 1 0 0 0 0 1 29 1 0 0 0 0 2 12 1 0 0 0 0 2 41 1 0 0 0 0 3 14 2 0 0 0 0 4 19 1 0 0 0 0 4 52 1 0 0 0 0 5 22 1 0 0 0 0 5 26 1 0 0 0 0 6 25 2 0 0 0 0 9 25 1 0 0 0 0 9 55 1 0 0 0 0 10 11 1 0 0 0 0 10 12 1 0 0 0 0 10 16 1 0 0 0 0 10 33 1 0 0 0 0 11 14 1 0 0 0 0 11 15 1 0 0 0 0 11 34 1 0 0 0 0 12 13 1 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 15 17 1 0 0 0 0 15 38 1 0 0 0 0 15 39 1 0 0 0 0 16 18 2 0 0 0 0 16 40 1 0 0 0 0 17 20 2 0 0 0 0 17 42 1 0 0 0 0 18 19 1 0 0 0 0 18 43 1 0 0 0 0 19 22 1 0 0 0 0 19 44 1 0 0 0 0 20 21 1 0 0 0 0 20 45 1 0 0 0 0 21 23 1 0 0 0 0 21 46 1 0 0 0 0 21 47 1 0 0 0 0 22 48 1 0 0 0 0 22 49 1 0 0 0 0 23 24 1 0 0 0 0 23 50 1 0 0 0 0 23 51 1 0 0 0 0 24 25 1 0 0 0 0 24 53 1 0 0 0 0 24 54 1 0 0 0 0 26 27 2 0 0 0 0 26 28 1 0 0 0 0 27 30 1 0 0 0 0 27 56 1 0 0 0 0 28 31 2 0 0 0 0 28 57 1 0 0 0 0 29 58 1 0 0 0 0 29 59 1 0 0 0 0 29 60 1 0 0 0 0 30 32 2 0 0 0 0 30 61 1 0 0 0 0 31 32 1 0 0 0 0 31 62 1 0 0 0 0 32 63 1 0 0 0 0 M END > DB12708 > drugbank > PUBCHEM > https://pubchem.ncbi.nlm.nih.gov/rest/pug/compound/inchikey/UQZVCDCIMBLVNR-TWYODKAFSA-N/SDF?record_type=3d > CS(=O)(=O)NC(=O)CCC\C=C/C[C@@H]1[C@@H](\C=C\[C@@H](O)COC2=CC=CC=C2)[C@H](O)CC1=O > InChI=1S/C23H31NO7S/c1-32(29,30)24-23(28)12-8-3-2-7-11-19-20(22(27)15-21(19)26)14-13-17(25)16-31-18-9-5-4-6-10-18/h2,4-7,9-10,13-14,17,19-20,22,25,27H,3,8,11-12,15-16H2,1H3,(H,24,28)/b7-2-,14-13+/t17-,19-,20-,22-/m1/s1 > UQZVCDCIMBLVNR-TWYODKAFSA-N > C23H31NO7S > 465.56 > 465.182123516 > 7 > 63 > 48.36157849315562 > 1 > 3 > 0 > 1 > (5Z)-7-[(1R,2R,3R)-3-hydroxy-2-[(1E,3R)-3-hydroxy-4-phenoxybut-1-en-1-yl]-5-oxocyclopentyl]-N-methanesulfonylhept-5-enamide > 1.97 > 1.3329879033333332 > -4.20 > 0 > 2 > -1 > 13.986937551537313 > 4.081759103411116 > -2.9349817046315865 > 130.0 > 121.9008 > 11 > 1 > 2.96e-02 g/l > sulprostone > 0 $$$$