448457 -OEChem-03292403392D 57 57 0 1 0 0 0 0 0999 V2000 7.4820 -3.8907 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 10.3299 -1.8216 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 8.5698 1.4571 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 2.5896 1.3707 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 2.0544 -0.2766 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 7.7608 -2.1307 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 8.5698 -1.5429 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 8.0698 -3.0817 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 9.0698 -3.0817 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 9.3788 -2.1307 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.8097 -1.8216 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 8.5698 -0.5429 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.0666 -2.4908 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 9.4358 -0.0429 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 9.4358 0.9571 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 10.3018 1.4571 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.1155 -2.1818 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 10.3018 2.4571 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.9076 -1.2036 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 11.1679 2.9571 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.9565 -0.8946 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 11.1679 3.9571 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.7486 0.0836 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 12.0339 4.4571 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.7976 0.3926 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.3224 -2.5691 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 9.1222 -1.2614 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 8.3512 -3.6341 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 9.0050 -3.6983 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 9.6762 -3.2106 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 7.1008 -1.2742 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 6.3211 -1.4399 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 8.0328 -0.2329 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 6.1955 -3.0972 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 7.7342 -4.4571 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 9.9727 -0.3529 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 8.8989 0.6471 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 10.5139 0.8745 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 10.9124 1.5648 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 4.6548 -2.5966 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 10.0898 3.0397 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 9.6912 2.3495 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 5.5272 -1.1820 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 4.9939 -0.5896 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 11.3799 2.3745 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 11.7784 3.0648 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 3.3369 -0.9162 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 3.8702 -1.5086 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 8.5698 2.0771 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 10.9558 4.5397 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 10.5573 3.8495 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 4.3682 0.1052 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 3.8349 0.6975 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 12.3439 3.9202 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 12.5708 4.7671 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 11.7239 4.9941 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 2.0000 1.5623 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 8 1 1 6 0 0 0 1 35 1 0 0 0 0 2 10 2 0 0 0 0 15 3 1 1 0 0 0 3 49 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 11 1 6 0 0 0 6 26 1 0 0 0 0 7 10 1 0 0 0 0 7 12 1 1 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 13 1 0 0 0 0 11 31 1 0 0 0 0 11 32 1 0 0 0 0 12 14 2 0 0 0 0 12 33 1 0 0 0 0 13 17 2 0 0 0 0 13 34 1 0 0 0 0 14 15 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 16 39 1 0 0 0 0 17 19 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 23 1 0 0 0 0 21 47 1 0 0 0 0 21 48 1 0 0 0 0 22 24 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 > 448457 > 1 > 469 > 5 > 3 > 12 > AAADcfB4OAAAAAAAAAAAAAAAAAAAAYAAAAAAAAAAAAAAAAAAAAAAGgAACAAADRSggAICCAAAAgCIAKDSCAAAAAAgAAAICAEAAAgAFBYAAQAAUAAEoAAIEAOKyKAOgAAAAAAAAAAAAAAAAAAAAIAADAAAAA== > (Z)-7-[(1R,2R,5S)-5-hydroxy-2-[(E,3S)-3-hydroxyoct-1-enyl]-3-oxo-cyclopentyl]hept-5-enoic acid > (Z)-7-[(1R,2R,5S)-5-hydroxy-2-[(E,3S)-3-hydroxyoct-1-enyl]-3-oxocyclopentyl]-5-heptenoic acid > (Z)-7-[(1R,2R,5S)-5-hydroxy-2-[(E,3S)-3-hydroxyoct-1-enyl]-3-oxocyclopentyl]hept-5-enoic acid > (Z)-7-[(1R,2R,5S)-5-hydroxy-2-[(E,3S)-3-hydroxyoct-1-enyl]-3-oxocyclopentyl]hept-5-enoic acid > (Z)-7-[(1R,2R,5S)-5-oxidanyl-3-oxidanylidene-2-[(E,3S)-3-oxidanyloct-1-enyl]cyclopentyl]hept-5-enoic acid > (Z)-7-[(1R,2R,5S)-5-hydroxy-2-[(E,3S)-3-hydroxyoct-1-enyl]-3-keto-cyclopentyl]hept-5-enoic acid > 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/h4,7,12-13,15-18,21-22H,2-3,5-6,8-11,14H2,1H3,(H,24,25)/b7-4-,13-12+/t15-,16+,17+,18-/m0/s1 > BHMBVRSPMRCCGG-OUTUXVNYSA-N > 2.6 > 352.22497412 > C20H32O5 > 352.5 > CCCCCC(C=CC1C(C(CC1=O)O)CC=CCCCC(=O)O)O > CCCCC[C@@H](/C=C/[C@@H]1[C@H]([C@H](CC1=O)O)C/C=C\CCCC(=O)O)O > 94.8 > 352.22497412 > 0 > 25 > 4 > 0 > 2 > 0 > 0 > 1 > -1 > 1 5 255 > 8 1 6 15 3 5 6 11 6 7 12 5 $$$$