70628250 -OEChem-05082421412D 69 69 0 1 0 0 0 0 0999 V2000 7.4820 -4.1407 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 10.3299 -2.0716 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 8.5698 1.2071 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 11.1679 2.7071 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 2.5896 1.1207 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 2.0544 -0.5266 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 7.7608 -2.3807 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 8.5698 -1.7929 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 8.0698 -3.3317 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 9.3788 -2.3807 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 9.0698 -3.3317 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.8097 -2.0716 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 8.5698 -0.7929 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 9.4358 -0.2929 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 9.4358 0.7071 0.0000 C 0 0 3 0 0 0 0 0 0 0 0 0 10.3018 1.2071 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.0666 -2.7408 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 11.1679 1.7071 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 9.8018 2.0732 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 10.8018 0.3411 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.1155 -2.4318 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.9076 -1.4536 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 12.0339 3.2071 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.9565 -1.1446 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 12.0339 4.2071 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.7486 -0.1664 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 12.8999 4.7071 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 11.1679 4.7071 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.7976 0.1426 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.3224 -2.8191 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 9.1222 -1.5114 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 8.3512 -3.8841 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 9.4758 -1.7683 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 9.0050 -3.9483 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 9.6762 -3.4606 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 7.1008 -1.5242 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 6.3211 -1.6899 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 8.0328 -0.4829 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 9.9727 -0.6029 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 7.7342 -4.7071 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 10.7906 -2.4865 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 8.8989 0.3971 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 6.1955 -3.3472 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 11.3799 1.1245 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 11.7784 1.8148 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 10.3388 2.3832 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 9.4918 2.6101 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 9.2649 1.7632 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 10.2649 0.0311 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 11.1118 -0.1958 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 11.3388 0.6511 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 4.6548 -2.8466 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 8.5698 1.8271 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 5.5272 -1.4320 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 4.9939 -0.8396 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 12.2459 2.6245 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 12.6445 3.3148 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 3.3369 -1.1662 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 3.8702 -1.7586 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 11.4969 3.8971 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 4.3682 -0.1448 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 3.8349 0.4475 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 13.2099 4.1702 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 13.4368 5.0171 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 12.5899 5.2441 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 11.4779 5.2441 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 10.6309 5.0171 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 10.8579 4.1702 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 2.0000 1.3123 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 9 1 1 6 0 0 0 1 40 1 0 0 0 0 10 2 1 6 0 0 0 2 41 1 0 0 0 0 3 15 1 0 0 0 0 3 53 1 0 0 0 0 4 18 1 0 0 0 0 4 23 1 0 0 0 0 5 29 1 0 0 0 0 5 69 1 0 0 0 0 6 29 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 30 1 0 0 0 0 8 10 1 0 0 0 0 8 13 1 1 0 0 0 8 31 1 0 0 0 0 9 11 1 0 0 0 0 9 32 1 0 0 0 0 10 11 1 0 0 0 0 10 33 1 0 0 0 0 11 34 1 0 0 0 0 11 35 1 0 0 0 0 12 17 1 0 0 0 0 12 36 1 0 0 0 0 12 37 1 0 0 0 0 13 14 2 0 0 0 0 13 38 1 0 0 0 0 14 15 1 0 0 0 0 14 39 1 0 0 0 0 15 16 1 0 0 0 0 15 42 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 43 1 0 0 0 0 18 44 1 0 0 0 0 18 45 1 0 0 0 0 19 46 1 0 0 0 0 19 47 1 0 0 0 0 19 48 1 0 0 0 0 20 49 1 0 0 0 0 20 50 1 0 0 0 0 20 51 1 0 0 0 0 21 22 1 0 0 0 0 21 52 1 0 0 0 0 22 24 1 0 0 0 0 22 54 1 0 0 0 0 22 55 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 1 0 0 0 0 24 58 1 0 0 0 0 24 59 1 0 0 0 0 25 27 1 0 0 0 0 25 28 1 0 0 0 0 25 60 1 0 0 0 0 26 29 1 0 0 0 0 26 61 1 0 0 0 0 26 62 1 0 0 0 0 27 63 1 0 0 0 0 27 64 1 0 0 0 0 27 65 1 0 0 0 0 28 66 1 0 0 0 0 28 67 1 0 0 0 0 28 68 1 0 0 0 0 M END > 70628250 > 1 > 540 > 6 > 4 > 13 > AAADcfB4OAAAAAAAAAAAAAAAAAAAAYAAAAAAAAAAAAAAAAAAAAAAGgAACAAADxSggAICCAAABgCIACDSCAAAAAAgAAAICAEAAAgAFBIAAQACUAAFwAAIEAPIwKAPgAAAAAAAAAAAAAAAAAAAAIQADAAAAA== > (Z)-7-[(1R,2R,3R,5S)-3,5-dihydroxy-2-[(E)-3-hydroxy-5-isobutoxy-4,4-dimethyl-pent-1-enyl]cyclopentyl]hept-5-enoic acid > (Z)-7-[(1R,2R,3R,5S)-3,5-dihydroxy-2-[(E)-3-hydroxy-4,4-dimethyl-5-(2-methylpropoxy)pent-1-enyl]cyclopentyl]-5-heptenoic acid > (Z)-7-[(1R,2R,3R,5S)-3,5-dihydroxy-2-[(E)-3-hydroxy-4,4-dimethyl-5-(2-methylpropoxy)pent-1-enyl]cyclopentyl]hept-5-enoic acid > (Z)-7-[(1R,2R,3R,5S)-3,5-dihydroxy-2-[(E)-3-hydroxy-4,4-dimethyl-5-(2-methylpropoxy)pent-1-enyl]cyclopentyl]hept-5-enoic acid > (Z)-7-[(1R,2R,3R,5S)-2-[(E)-4,4-dimethyl-5-(2-methylpropoxy)-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-isobutoxy-4,4-dimethyl-pent-1-enyl]cyclopentyl]hept-5-enoic acid > InChI=1S/C23H40O6/c1-16(2)14-29-15-23(3,4)21(26)12-11-18-17(19(24)13-20(18)25)9-7-5-6-8-10-22(27)28/h5,7,11-12,16-21,24-26H,6,8-10,13-15H2,1-4H3,(H,27,28)/b7-5-,12-11+/t17-,18-,19+,20-,21?/m1/s1 > ALBLOBYYXLIVCA-FFQOOYDVSA-N > 2.8 > 412.28248899 > C23H40O6 > 412.6 > CC(C)COCC(C)(C)C(C=CC1C(CC(C1CC=CCCCC(=O)O)O)O)O > CC(C)COCC(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 > 412.28248899 > 0 > 29 > 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 $$$$