70628939 -OEChem-05012417402D 65 65 0 1 0 0 0 0 0999 V2000 7.4820 -4.3907 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 10.3299 -2.3216 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 8.5698 0.9571 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 2.5896 0.8707 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 2.0544 -0.7766 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 7.7608 -2.6307 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 8.5698 -2.0429 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 8.0698 -3.5817 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 9.3788 -2.6307 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 9.0698 -3.5817 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.8097 -2.3216 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 8.5698 -1.0429 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.0666 -2.9908 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 9.4358 -0.5429 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 9.4358 0.4571 0.0000 C 0 0 3 0 0 0 0 0 0 0 0 0 10.3018 0.9571 0.0000 C 0 0 0 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 11.1679 2.4571 0.0000 C 0 0 3 0 0 0 0 0 0 0 0 0 5.1155 -2.6818 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 11.1679 3.4571 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.9076 -1.7036 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 12.0339 1.9571 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 3.9565 -1.3946 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 12.0339 4.9571 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.7486 -0.4164 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.7976 -0.1074 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.3224 -3.0691 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 9.1222 -1.7614 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 8.3512 -4.1341 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 9.4758 -2.0183 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 9.0050 -4.1983 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 9.6762 -3.7106 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 7.1008 -1.7742 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 6.3211 -1.9399 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 8.0328 -0.7329 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 7.7342 -4.9571 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 10.7906 -2.7365 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 6.1955 -3.5972 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 9.9727 -0.8529 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 8.8989 0.1471 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 10.5139 0.3745 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 10.9124 1.0648 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 10.0898 2.5397 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 9.6912 1.8495 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 11.7048 2.7671 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 4.6548 -3.0966 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 10.9558 4.0397 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 10.5573 3.3495 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 5.5272 -1.6820 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 4.9939 -1.0896 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 11.7239 1.4202 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 12.5708 1.6471 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 12.3439 2.4941 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 8.5698 1.5771 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 12.2459 3.3745 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 12.6445 4.0648 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 3.3369 -1.4162 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 3.8702 -2.0086 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 12.6539 4.9571 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 12.0339 5.5771 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 11.4139 4.9571 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 4.3682 -0.3948 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 3.8349 0.1975 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 2.0000 1.0623 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 8 1 1 6 0 0 0 1 37 1 0 0 0 0 9 2 1 6 0 0 0 2 38 1 0 0 0 0 3 15 1 0 0 0 0 3 55 1 0 0 0 0 4 27 1 0 0 0 0 4 65 1 0 0 0 0 5 27 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 28 1 0 0 0 0 7 9 1 0 0 0 0 7 12 1 1 0 0 0 7 29 1 0 0 0 0 8 10 1 0 0 0 0 8 30 1 0 0 0 0 9 10 1 0 0 0 0 9 31 1 0 0 0 0 10 32 1 0 0 0 0 10 33 1 0 0 0 0 11 13 1 0 0 0 0 11 34 1 0 0 0 0 11 35 1 0 0 0 0 12 14 2 0 0 0 0 12 36 1 0 0 0 0 13 19 2 0 0 0 0 13 39 1 0 0 0 0 14 15 1 0 0 0 0 14 40 1 0 0 0 0 15 16 1 0 0 0 0 15 41 1 0 0 0 0 16 17 1 0 0 0 0 16 42 1 0 0 0 0 16 43 1 0 0 0 0 17 18 1 0 0 0 0 17 44 1 0 0 0 0 17 45 1 0 0 0 0 18 20 1 0 0 0 0 18 22 1 0 0 0 0 18 46 1 0 0 0 0 19 21 1 0 0 0 0 19 47 1 0 0 0 0 20 23 1 0 0 0 0 20 48 1 0 0 0 0 20 49 1 0 0 0 0 21 24 1 0 0 0 0 21 50 1 0 0 0 0 21 51 1 0 0 0 0 22 52 1 0 0 0 0 22 53 1 0 0 0 0 22 54 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 60 1 0 0 0 0 25 61 1 0 0 0 0 25 62 1 0 0 0 0 26 27 1 0 0 0 0 26 63 1 0 0 0 0 26 64 1 0 0 0 0 M END > 70628939 > 1 > 473 > 5 > 4 > 13 > AAADcfB4OAAAAAAAAAAAAAAAAAAAAYAAAAAAAAAAAAAAAAAAAAAAGgAACAAADRSggAICCAAAAgCIACDSCAAAAAAgAAAICAEAAAgAFBIAAQAAUAAFwAAIEAPIwKAOgAAAAAAAAAAAAAAAAAAAAIQADAAAAA== > (Z)-7-[(1R,2R,3R,5S)-3,5-dihydroxy-2-[(E)-3-hydroxy-6-methyl-non-1-enyl]cyclopentyl]hept-5-enoic acid > (Z)-7-[(1R,2R,3R,5S)-3,5-dihydroxy-2-[(E)-3-hydroxy-6-methylnon-1-enyl]cyclopentyl]-5-heptenoic acid > (Z)-7-[(1R,2R,3R,5S)-3,5-dihydroxy-2-[(E)-3-hydroxy-6-methylnon-1-enyl]cyclopentyl]hept-5-enoic acid > (Z)-7-[(1R,2R,3R,5S)-3,5-dihydroxy-2-[(E)-3-hydroxy-6-methylnon-1-enyl]cyclopentyl]hept-5-enoic acid > (Z)-7-[(1R,2R,3R,5S)-2-[(E)-6-methyl-3-oxidanyl-non-1-enyl]-3,5-bis(oxidanyl)cyclopentyl]hept-5-enoic acid > (Z)-7-[(1R,2R,3R,5S)-3,5-dihydroxy-2-[(E)-3-hydroxy-6-methyl-non-1-enyl]cyclopentyl]hept-5-enoic acid > InChI=1S/C22H38O5/c1-3-8-16(2)11-12-17(23)13-14-19-18(20(24)15-21(19)25)9-6-4-5-7-10-22(26)27/h4,6,13-14,16-21,23-25H,3,5,7-12,15H2,1-2H3,(H,26,27)/b6-4-,14-13+/t16?,17?,18-,19-,20+,21-/m1/s1 > QHAGQDQUERQGDJ-QEVUVUPQSA-N > 3.5 > 382.27192431 > C22H38O5 > 382.5 > CCCC(C)CCC(C=CC1C(CC(C1CC=CCCCC(=O)O)O)O)O > CCCC(C)CCC(/C=C/[C@H]1[C@@H](C[C@@H]([C@@H]1C/C=C\CCCC(=O)O)O)O)O > 98 > 382.27192431 > 0 > 27 > 4 > 2 > 2 > 0 > 0 > 1 > -1 > 1 5 255 > 8 1 6 18 22 3 9 2 6 15 3 3 6 11 6 7 12 5 $$$$