70624895 -OEChem-04252411572D 60 60 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 11.1679 0.9571 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 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 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 1.4571 0.0000 C 0 0 3 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 10.3018 2.4571 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 9.4358 2.9571 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 11.1679 3.9571 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 12.0339 4.4571 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 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 6.1955 -3.0972 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 9.2238 1.5397 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 8.8252 0.8495 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 10.3018 0.8371 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 11.7048 1.2671 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 9.7458 3.4941 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 8.8989 3.2671 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 9.1258 2.4202 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 11.7048 2.6471 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 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 36 1 0 0 0 0 9 2 1 6 0 0 0 2 37 1 0 0 0 0 3 17 1 0 0 0 0 3 48 1 0 0 0 0 4 25 1 0 0 0 0 4 60 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 27 1 0 0 0 0 7 9 1 0 0 0 0 7 12 1 1 0 0 0 7 28 1 0 0 0 0 8 10 1 0 0 0 0 8 29 1 0 0 0 0 9 10 1 0 0 0 0 9 30 1 0 0 0 0 10 31 1 0 0 0 0 10 32 1 0 0 0 0 11 13 1 0 0 0 0 11 33 1 0 0 0 0 11 34 1 0 0 0 0 12 14 2 0 0 0 0 12 35 1 0 0 0 0 13 16 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 17 1 0 0 0 0 15 40 1 0 0 0 0 15 41 1 0 0 0 0 16 18 1 0 0 0 0 16 42 1 0 0 0 0 17 20 1 0 0 0 0 17 43 1 0 0 0 0 18 19 1 0 0 0 0 18 44 1 0 0 0 0 18 45 1 0 0 0 0 19 21 1 0 0 0 0 19 46 1 0 0 0 0 19 47 1 0 0 0 0 20 22 1 0 0 0 0 20 23 2 0 0 0 0 21 25 1 0 0 0 0 21 49 1 0 0 0 0 21 50 1 0 0 0 0 22 51 1 0 0 0 0 22 52 1 0 0 0 0 22 53 1 0 0 0 0 23 24 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 26 57 1 0 0 0 0 26 58 1 0 0 0 0 26 59 1 0 0 0 0 M END > 70624895 > 1 > 509 > 5 > 4 > 11 > AAADcfB4OAAAAAAAAAAAAAAAAAAAAYAAAAAAAAAAAAAAAAAAAAAAGgAACAAADRSggAICCAAAAgCIAiDSCAAAAAAgAAAICAEAAAgAFBIAAQAAUAAFwAAIEAPIwKAOgAAAAAAAAAAAAAAAAAAAAIQADAAAAA== > (Z)-7-[(1R,2R,3R,5S)-3,5-dihydroxy-2-[(1E,5E)-4-hydroxy-5-methyl-octa-1,5-dienyl]cyclopentyl]hept-5-enoic acid > (Z)-7-[(1R,2R,3R,5S)-3,5-dihydroxy-2-[(1E,5E)-4-hydroxy-5-methylocta-1,5-dienyl]cyclopentyl]-5-heptenoic acid > (Z)-7-[(1R,2R,3R,5S)-3,5-dihydroxy-2-[(1E,5E)-4-hydroxy-5-methylocta-1,5-dienyl]cyclopentyl]hept-5-enoic acid > (Z)-7-[(1R,2R,3R,5S)-3,5-dihydroxy-2-[(1E,5E)-4-hydroxy-5-methylocta-1,5-dienyl]cyclopentyl]hept-5-enoic acid > (Z)-7-[(1R,2R,3R,5S)-2-[(1E,5E)-5-methyl-4-oxidanyl-octa-1,5-dienyl]-3,5-bis(oxidanyl)cyclopentyl]hept-5-enoic acid > (Z)-7-[(1R,2R,3R,5S)-3,5-dihydroxy-2-[(1E,5E)-4-hydroxy-5-methyl-octa-1,5-dienyl]cyclopentyl]hept-5-enoic acid > InChI=1S/C21H34O5/c1-3-9-15(2)18(22)12-8-11-17-16(19(23)14-20(17)24)10-6-4-5-7-13-21(25)26/h4,6,8-9,11,16-20,22-24H,3,5,7,10,12-14H2,1-2H3,(H,25,26)/b6-4-,11-8+,15-9+/t16-,17-,18?,19+,20-/m1/s1 > VJBUJYHDHTZYHO-SAXGNKDZSA-N > 2.8 > 366.24062418 > C21H34O5 > 366.5 > CCC=C(C)C(CC=CC1C(CC(C1CC=CCCCC(=O)O)O)O)O > CC/C=C(\C)/C(C/C=C/[C@H]1[C@@H](C[C@@H]([C@@H]1C/C=C\CCCC(=O)O)O)O)O > 98 > 366.24062418 > 0 > 26 > 4 > 1 > 3 > 0 > 0 > 1 > -1 > 1 5 255 > 8 1 6 9 2 6 17 3 3 6 11 6 7 12 5 $$$$