70630807 -OEChem-04262404232D 65 65 0 1 0 0 0 0 0999 V2000 9.4491 -3.3907 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 12.2970 -1.3216 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 11.7689 2.8232 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 2.9511 -3.0711 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 3.4863 -1.4238 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 9.7279 -1.6307 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 10.5369 -1.0429 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 10.0369 -2.5817 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 11.3459 -1.6307 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 11.0369 -2.5817 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 8.7768 -1.3216 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 10.5369 -0.0429 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 8.0337 -1.9908 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.0826 -1.6818 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 11.4029 0.4571 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.3395 -2.3509 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 11.4029 1.4571 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 12.2689 1.9571 0.0000 C 0 0 3 0 0 0 0 0 0 0 0 0 5.3884 -2.0419 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 13.1350 2.4571 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 12.7689 1.0911 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.6453 -2.7110 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 13.1350 3.4571 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 14.0010 3.9571 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.6942 -2.4020 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 13.7689 1.0911 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.0000 -2.7621 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 9.6309 -1.0183 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 9.9844 -0.7614 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 9.4245 -2.4847 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 11.7843 -2.0691 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 10.9721 -3.1983 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 11.6433 -2.7106 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 9.0679 -0.7742 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 8.2882 -0.9399 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 9.9999 0.2671 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 7.7426 -2.5382 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 8.5222 -2.3725 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 9.7013 -3.9571 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 7.3737 -1.1343 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 6.5940 -1.3000 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 12.7577 -1.7365 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 11.9398 0.1471 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 6.0484 -2.8983 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 6.8280 -2.7326 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 11.1909 2.0397 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 10.7923 1.3495 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 5.6795 -1.4944 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 4.8998 -1.6602 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 13.3470 1.8745 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 13.7455 2.5648 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 12.4589 0.5542 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 4.3542 -3.2584 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 5.1338 -3.0927 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 12.9229 4.0397 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 12.5244 3.3495 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 11.1489 2.8232 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 14.3110 3.4202 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 14.5379 4.2671 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 13.6910 4.4941 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 14.0789 0.5542 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 14.0789 1.6280 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 2.1916 -2.1724 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 1.4103 -2.5705 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 1.8084 -3.3518 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 8 1 1 1 0 0 0 1 39 1 0 0 0 0 9 2 1 6 0 0 0 2 42 1 0 0 0 0 3 18 1 0 0 0 0 3 57 1 0 0 0 0 4 25 1 0 0 0 0 4 27 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 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 15 2 3 0 0 0 12 36 1 0 0 0 0 13 14 1 0 0 0 0 13 37 1 0 0 0 0 13 38 1 0 0 0 0 14 16 1 0 0 0 0 14 40 1 0 0 0 0 14 41 1 0 0 0 0 15 17 1 0 0 0 0 15 43 1 0 0 0 0 16 19 1 0 0 0 0 16 44 1 0 0 0 0 16 45 1 0 0 0 0 17 18 1 0 0 0 0 17 46 1 0 0 0 0 17 47 1 0 0 0 0 18 20 1 0 0 0 0 18 21 1 0 0 0 0 19 22 1 0 0 0 0 19 48 1 0 0 0 0 19 49 1 0 0 0 0 20 23 1 0 0 0 0 20 50 1 0 0 0 0 20 51 1 0 0 0 0 21 26 2 0 0 0 0 21 52 1 0 0 0 0 22 25 1 0 0 0 0 22 53 1 0 0 0 0 22 54 1 0 0 0 0 23 24 1 0 0 0 0 23 55 1 0 0 0 0 23 56 1 0 0 0 0 24 58 1 0 0 0 0 24 59 1 0 0 0 0 24 60 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 M END > 70630807 > 1 > 475 > 5 > 3 > 14 > AAADcfB4OAAAAAAAAAAAAAAAAAAAAYAAAAAAAAAAAAAAAAAAAAAAGgAACAAADVSggAICCAAABgCIACDSCAAAAAAgAAAICAEAAAgAFBIAAQAAQAAFwAAIEAPIyOCOgAAAAAAAAAAAAAAAAAAAAIQADAAAAA== > methyl 7-[(1R,2R,3R,5R)-3,5-dihydroxy-2-(4-hydroxy-4-vinyl-hept-1-enyl)cyclopentyl]heptanoate > 7-[(1R,2R,3R,5R)-2-(4-ethenyl-4-hydroxyhept-1-enyl)-3,5-dihydroxycyclopentyl]heptanoic acid methyl ester > methyl 7-[(1R,2R,3R,5R)-2-(4-ethenyl-4-hydroxyhept-1-enyl)-3,5-dihydroxycyclopentyl]heptanoate > methyl 7-[(1R,2R,3R,5R)-2-(4-ethenyl-4-hydroxyhept-1-enyl)-3,5-dihydroxycyclopentyl]heptanoate > methyl 7-[(1R,2R,3R,5R)-2-(4-ethenyl-4-oxidanyl-hept-1-enyl)-3,5-bis(oxidanyl)cyclopentyl]heptanoate > 7-[(1R,2R,3R,5R)-3,5-dihydroxy-2-(4-hydroxy-4-propyl-hexa-1,5-dienyl)cyclopentyl]enanthic acid methyl ester > InChI=1S/C22H38O5/c1-4-14-22(26,5-2)15-10-12-18-17(19(23)16-20(18)24)11-8-6-7-9-13-21(25)27-3/h5,10,12,17-20,23-24,26H,2,4,6-9,11,13-16H2,1,3H3/t17-,18-,19-,20-,22?/m1/s1 > VCZNTEUFECGYAN-JKXXWOPSSA-N > 3.6 > 382.27192431 > C22H38O5 > 382.5 > CCCC(CC=CC1C(CC(C1CCCCCCC(=O)OC)O)O)(C=C)O > CCCC(CC=C[C@H]1[C@@H](C[C@H]([C@@H]1CCCCCCC(=O)OC)O)O)(C=C)O > 87 > 382.27192431 > 0 > 27 > 4 > 1 > 0 > 1 > 0 > 1 > -1 > 1 5 255 > 8 1 5 12 15 1 9 2 6 18 3 3 6 11 6 7 12 5 $$$$