70628062 -OEChem-05082414112D 63 63 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 11.1679 2.9571 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 9.3788 -2.1307 0.0000 C 0 0 1 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 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 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 3 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 6.0666 -2.4908 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 11.1679 1.9571 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 9.8018 2.3232 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 10.8018 0.5911 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 4.9076 -1.2036 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 12.0339 3.4571 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 9.4758 -1.5183 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 9.9727 -0.3529 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 10.7906 -2.2365 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 6.1955 -3.0972 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 11.3799 1.3745 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 11.7784 2.0648 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 10.3388 2.6332 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 9.4918 2.8601 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 9.2649 2.0132 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 10.2649 0.2811 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 11.1118 0.0542 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 11.3388 0.9011 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 8.5698 2.0771 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 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 12.2459 2.8745 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 12.6445 3.5648 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 12.6539 4.4571 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 12.0339 5.0771 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 11.4139 4.4571 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 9 1 1 6 0 0 0 1 38 1 0 0 0 0 10 2 1 6 0 0 0 2 39 1 0 0 0 0 3 15 1 0 0 0 0 3 51 1 0 0 0 0 4 18 1 0 0 0 0 4 24 1 0 0 0 0 5 27 1 0 0 0 0 5 63 1 0 0 0 0 6 27 2 0 0 0 0 7 8 1 0 0 0 0 7 9 1 0 0 0 0 7 12 1 6 0 0 0 7 28 1 0 0 0 0 8 10 1 0 0 0 0 8 13 1 1 0 0 0 8 29 1 0 0 0 0 9 11 1 0 0 0 0 9 30 1 0 0 0 0 10 11 1 0 0 0 0 10 31 1 0 0 0 0 11 32 1 0 0 0 0 11 33 1 0 0 0 0 12 17 1 0 0 0 0 12 34 1 0 0 0 0 12 35 1 0 0 0 0 13 14 2 0 0 0 0 13 36 1 0 0 0 0 14 15 1 0 0 0 0 14 37 1 0 0 0 0 15 16 1 0 0 0 0 15 40 1 0 0 0 0 16 18 1 0 0 0 0 16 19 1 0 0 0 0 16 20 1 0 0 0 0 17 21 2 0 0 0 0 17 41 1 0 0 0 0 18 42 1 0 0 0 0 18 43 1 0 0 0 0 19 44 1 0 0 0 0 19 45 1 0 0 0 0 19 46 1 0 0 0 0 20 47 1 0 0 0 0 20 48 1 0 0 0 0 20 49 1 0 0 0 0 21 22 1 0 0 0 0 21 50 1 0 0 0 0 22 23 1 0 0 0 0 22 52 1 0 0 0 0 22 53 1 0 0 0 0 23 25 1 0 0 0 0 23 54 1 0 0 0 0 23 55 1 0 0 0 0 24 26 1 0 0 0 0 24 56 1 0 0 0 0 24 57 1 0 0 0 0 25 27 1 0 0 0 0 25 58 1 0 0 0 0 25 59 1 0 0 0 0 26 60 1 0 0 0 0 26 61 1 0 0 0 0 26 62 1 0 0 0 0 M END > 70628062 > 1 > 499 > 6 > 4 > 12 > AAADcfB4OAAAAAAAAAAAAAAAAAAAAYAAAAAAAAAAAAAAAAAAAAAAGgAACAAADxSggAICCAAABgCIACDSCAAAAAAgAAAICAEAAAgAFBIAAQACUAAFwAAIEAPIwKAPgAAAAAAAAAAAAAAAAAAAAIQADAAAAA== > (Z)-7-[(1R,2R,3R,5S)-2-[(E)-5-ethoxy-3-hydroxy-4,4-dimethyl-pent-1-enyl]-3,5-dihydroxy-cyclopentyl]hept-5-enoic acid > (Z)-7-[(1R,2R,3R,5S)-2-[(E)-5-ethoxy-3-hydroxy-4,4-dimethylpent-1-enyl]-3,5-dihydroxycyclopentyl]-5-heptenoic acid > (Z)-7-[(1R,2R,3R,5S)-2-[(E)-5-ethoxy-3-hydroxy-4,4-dimethylpent-1-enyl]-3,5-dihydroxycyclopentyl]hept-5-enoic acid > (Z)-7-[(1R,2R,3R,5S)-2-[(E)-5-ethoxy-3-hydroxy-4,4-dimethylpent-1-enyl]-3,5-dihydroxycyclopentyl]hept-5-enoic acid > (Z)-7-[(1R,2R,3R,5S)-2-[(E)-5-ethoxy-4,4-dimethyl-3-oxidanyl-pent-1-enyl]-3,5-bis(oxidanyl)cyclopentyl]hept-5-enoic acid > (Z)-7-[(1R,2R,3R,5S)-2-[(E)-5-ethoxy-3-hydroxy-4,4-dimethyl-pent-1-enyl]-3,5-dihydroxy-cyclopentyl]hept-5-enoic acid > InChI=1S/C21H36O6/c1-4-27-14-21(2,3)19(24)12-11-16-15(17(22)13-18(16)23)9-7-5-6-8-10-20(25)26/h5,7,11-12,15-19,22-24H,4,6,8-10,13-14H2,1-3H3,(H,25,26)/b7-5-,12-11+/t15-,16-,17+,18-,19?/m1/s1 > ZZMLVEMNWGEPQG-QXQONEJKSA-N > 1.8 > 384.25118886 > C21H36O6 > 384.5 > CCOCC(C)(C)C(C=CC1C(CC(C1CC=CCCCC(=O)O)O)O)O > CCOCC(C)(C)C(/C=C/[C@H]1[C@@H](C[C@@H]([C@@H]1C/C=C\CCCC(=O)O)O)O)O > 107 > 384.25118886 > 0 > 27 > 4 > 1 > 2 > 0 > 0 > 1 > -1 > 1 5 255 > 9 1 6 10 2 6 15 3 3 7 12 6 8 13 5 $$$$