70629104 -OEChem-04252410302D 60 60 0 1 0 0 0 0 0999 V2000 7.4820 -3.3907 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 10.3299 -1.3216 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 8.5698 1.9571 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 11.1679 3.4571 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 2.5896 1.8707 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 2.0544 0.2234 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 7.7608 -1.6307 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 8.5698 -1.0429 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 8.0698 -2.5817 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 9.3788 -1.6307 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 9.0698 -2.5817 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.8097 -1.3216 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 8.5698 -0.0429 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 9.4358 0.4571 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 9.4358 1.4571 0.0000 C 0 0 3 0 0 0 0 0 0 0 0 0 10.3018 1.9571 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.0666 -1.9908 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 11.1679 2.4571 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 9.8018 2.8232 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 10.8018 1.0911 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.1155 -1.6818 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.9076 -0.7036 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.9565 -0.3946 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.7486 0.5836 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 12.0339 3.9571 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.7976 0.8926 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.3224 -2.0691 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 9.1222 -0.7614 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 8.3512 -3.1341 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 9.8172 -2.0691 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 9.0050 -3.1983 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 9.6762 -2.7106 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 7.1008 -0.7742 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 6.3211 -0.9399 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 8.0328 0.2671 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 9.9727 0.1471 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 7.7342 -3.9571 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 10.7906 -1.7365 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 8.8989 1.1471 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 6.1955 -2.5972 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 11.3799 1.8745 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 11.7784 2.5648 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 10.3388 3.1332 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 9.4918 3.3601 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 9.2649 2.5132 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 10.2649 0.7811 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 11.1118 0.5542 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 11.3388 1.4011 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 4.6548 -2.0966 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 8.5698 2.5771 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 5.5272 -0.6820 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 4.9939 -0.0896 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 3.3369 -0.4162 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 3.8702 -1.0086 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 4.3682 0.6052 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 3.8349 1.1975 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 12.3439 3.4202 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 12.5708 4.2671 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 11.7239 4.4941 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 2.0000 2.0623 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 9 1 1 6 0 0 0 1 37 1 0 0 0 0 10 2 1 6 0 0 0 2 38 1 0 0 0 0 3 15 1 0 0 0 0 3 50 1 0 0 0 0 4 18 1 0 0 0 0 4 25 1 0 0 0 0 5 26 1 0 0 0 0 5 60 1 0 0 0 0 6 26 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 27 1 0 0 0 0 8 10 1 0 0 0 0 8 13 1 1 0 0 0 8 28 1 0 0 0 0 9 11 1 0 0 0 0 9 29 1 0 0 0 0 10 11 1 0 0 0 0 10 30 1 0 0 0 0 11 31 1 0 0 0 0 11 32 1 0 0 0 0 12 17 1 0 0 0 0 12 33 1 0 0 0 0 12 34 1 0 0 0 0 13 14 2 0 0 0 0 13 35 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 39 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 40 1 0 0 0 0 18 41 1 0 0 0 0 18 42 1 0 0 0 0 19 43 1 0 0 0 0 19 44 1 0 0 0 0 19 45 1 0 0 0 0 20 46 1 0 0 0 0 20 47 1 0 0 0 0 20 48 1 0 0 0 0 21 22 1 0 0 0 0 21 49 1 0 0 0 0 22 23 1 0 0 0 0 22 51 1 0 0 0 0 22 52 1 0 0 0 0 23 24 1 0 0 0 0 23 53 1 0 0 0 0 23 54 1 0 0 0 0 24 26 1 0 0 0 0 24 55 1 0 0 0 0 24 56 1 0 0 0 0 25 57 1 0 0 0 0 25 58 1 0 0 0 0 25 59 1 0 0 0 0 M END > 70629104 > 1 > 485 > 6 > 4 > 11 > AAADcfB4OAAAAAAAAAAAAAAAAAAAAYAAAAAAAAAAAAAAAAAAAAAAGgAACAAADxSggAICCAAABgCIACDSCAAAAAAgAAAICAEAAAgAFBIAAQAAUAAFwAAIEAPIwKAPgAAAAAAAAAAAAAAAAAAAAIQADAAAAA== > (Z)-7-[(1R,2R,3R,5S)-3,5-dihydroxy-2-[(E)-3-hydroxy-5-methoxy-4,4-dimethyl-pent-1-enyl]cyclopentyl]hept-5-enoic acid > (Z)-7-[(1R,2R,3R,5S)-3,5-dihydroxy-2-[(E)-3-hydroxy-5-methoxy-4,4-dimethylpent-1-enyl]cyclopentyl]-5-heptenoic acid > (Z)-7-[(1R,2R,3R,5S)-3,5-dihydroxy-2-[(E)-3-hydroxy-5-methoxy-4,4-dimethylpent-1-enyl]cyclopentyl]hept-5-enoic acid > (Z)-7-[(1R,2R,3R,5S)-3,5-dihydroxy-2-[(E)-3-hydroxy-5-methoxy-4,4-dimethylpent-1-enyl]cyclopentyl]hept-5-enoic acid > (Z)-7-[(1R,2R,3R,5S)-2-[(E)-5-methoxy-4,4-dimethyl-3-oxidanyl-pent-1-enyl]-3,5-bis(oxidanyl)cyclopentyl]hept-5-enoic acid > (Z)-7-[(1R,2R,3R,5S)-3,5-dihydroxy-2-[(E)-3-hydroxy-5-methoxy-4,4-dimethyl-pent-1-enyl]cyclopentyl]hept-5-enoic acid > InChI=1S/C20H34O6/c1-20(2,13-26-3)18(23)11-10-15-14(16(21)12-17(15)22)8-6-4-5-7-9-19(24)25/h4,6,10-11,14-18,21-23H,5,7-9,12-13H2,1-3H3,(H,24,25)/b6-4-,11-10+/t14-,15-,16+,17-,18?/m1/s1 > AGSNARNCEHTUMP-HHTYNMSRSA-N > 1.4 > 370.23553880 > C20H34O6 > 370.5 > CC(C)(COC)C(C=CC1C(CC(C1CC=CCCCC(=O)O)O)O)O > CC(C)(COC)C(/C=C/[C@H]1[C@@H](C[C@@H]([C@@H]1C/C=C\CCCC(=O)O)O)O)O > 107 > 370.23553880 > 0 > 26 > 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 $$$$