53846675 -OEChem-03282410552D 59 59 0 1 0 0 0 0 0999 V2000 11.9356 -2.1048 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 9.0877 -4.1739 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 10.1755 1.1739 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 2.5896 -3.8543 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 3.1249 -2.2070 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 9.3665 -2.4139 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 10.1755 -1.8261 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 10.9845 -2.4139 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 10.6755 -3.3649 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 8.4154 -2.1048 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 9.6755 -3.3649 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.6723 -2.7740 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 10.1755 -0.8261 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.7212 -2.4650 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 11.0415 -0.3261 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.9781 -3.1341 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 11.0415 0.6739 0.0000 C 0 0 3 0 0 0 0 0 0 0 0 0 11.9075 1.1739 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.0270 -2.8251 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 11.9075 2.1739 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.2839 -3.4942 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 12.7736 2.6739 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 12.7736 3.6739 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.3328 -3.1852 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 13.6396 4.1739 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 9.2695 -1.8015 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 9.6230 -1.5446 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 11.0815 -1.8015 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 10.6107 -3.9815 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 11.2819 -3.4938 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 8.7065 -1.5574 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 7.9268 -1.7231 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 7.3812 -3.3214 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 8.1608 -3.1557 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 9.6385 -0.5161 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 7.0123 -1.9175 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 6.2326 -2.0832 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 12.3963 -2.5197 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 11.5784 -0.6361 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 5.6870 -3.6815 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 6.4666 -3.5158 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 11.0415 1.2939 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 12.1196 0.5913 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 12.5181 1.2816 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 5.3181 -2.2776 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 4.5384 -2.4434 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 11.6955 2.7565 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 11.2969 2.0663 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 12.9856 2.0913 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 13.3841 2.7816 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 3.9928 -4.0416 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 4.7724 -3.8759 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 10.1755 1.7939 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 12.5615 4.2565 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 12.1630 3.5663 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 13.9496 3.6370 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 14.1765 4.4839 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 13.3296 4.7109 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 2.0000 -3.6627 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 8 1 1 6 0 0 0 1 38 1 0 0 0 0 2 11 2 0 0 0 0 3 17 1 0 0 0 0 3 53 1 0 0 0 0 4 24 1 0 0 0 0 4 59 1 0 0 0 0 5 24 2 0 0 0 0 6 7 1 0 0 0 0 6 10 1 6 0 0 0 6 11 1 0 0 0 0 6 26 1 0 0 0 0 7 8 1 0 0 0 0 7 13 1 1 0 0 0 7 27 1 0 0 0 0 8 9 1 0 0 0 0 8 28 1 0 0 0 0 9 11 1 0 0 0 0 9 29 1 0 0 0 0 9 30 1 0 0 0 0 10 12 1 0 0 0 0 10 31 1 0 0 0 0 10 32 1 0 0 0 0 12 14 1 0 0 0 0 12 33 1 0 0 0 0 12 34 1 0 0 0 0 13 15 2 3 0 0 0 13 35 1 0 0 0 0 14 16 1 0 0 0 0 14 36 1 0 0 0 0 14 37 1 0 0 0 0 15 17 1 0 0 0 0 15 39 1 0 0 0 0 16 19 1 0 0 0 0 16 40 1 0 0 0 0 16 41 1 0 0 0 0 17 18 1 0 0 0 0 17 42 1 0 0 0 0 18 20 1 0 0 0 0 18 43 1 0 0 0 0 18 44 1 0 0 0 0 19 21 1 0 0 0 0 19 45 1 0 0 0 0 19 46 1 0 0 0 0 20 22 1 0 0 0 0 20 47 1 0 0 0 0 20 48 1 0 0 0 0 21 24 1 0 0 0 0 21 51 1 0 0 0 0 21 52 1 0 0 0 0 22 23 1 0 0 0 0 22 49 1 0 0 0 0 22 50 1 0 0 0 0 23 25 1 0 0 0 0 23 54 1 0 0 0 0 23 55 1 0 0 0 0 25 56 1 0 0 0 0 25 57 1 0 0 0 0 25 58 1 0 0 0 0 M END > 53846675 > 1 > 432 > 5 > 3 > 13 > AAADcfB4OAAAAAAAAAAAAAAAAAAAAYAAAAAAAAAAAAAAAAAAAAAAGgAACAAADRSggAICCAAAAgCIAKDSCAAAAAAgAAAICAEAAAgAFBYAAQAAUAAE4AAIEAOKyOCOgAAAAAAAAAAAAAAAAAAAAIAADAAAAA== > 7-[(1R,2R,3R)-3-hydroxy-2-(3-hydroxyoct-1-enyl)-5-oxo-cyclopentyl]heptanoic acid > 7-[(1R,2R,3R)-3-hydroxy-2-(3-hydroxyoct-1-enyl)-5-oxocyclopentyl]heptanoic acid > 7-[(1R,2R,3R)-3-hydroxy-2-(3-hydroxyoct-1-enyl)-5-oxocyclopentyl]heptanoic acid > 7-[(1R,2R,3R)-3-hydroxy-2-(3-hydroxyoct-1-enyl)-5-oxocyclopentyl]heptanoic acid > 7-[(1R,2R,3R)-3-oxidanyl-5-oxidanylidene-2-(3-oxidanyloct-1-enyl)cyclopentyl]heptanoic acid > 7-[(1R,2R,3R)-3-hydroxy-2-(3-hydroxyoct-1-enyl)-5-keto-cyclopentyl]enanthic acid > InChI=1S/C20H34O5/c1-2-3-6-9-15(21)12-13-17-16(18(22)14-19(17)23)10-7-4-5-8-11-20(24)25/h12-13,15-17,19,21,23H,2-11,14H2,1H3,(H,24,25)/t15?,16-,17-,19-/m1/s1 > GMVPRGQOIOIIMI-LACZJNPZSA-N > 3.2 > 354.24062418 > C20H34O5 > 354.5 > CCCCCC(C=CC1C(CC(=O)C1CCCCCCC(=O)O)O)O > CCCCCC(C=C[C@H]1[C@@H](CC(=O)[C@@H]1CCCCCCC(=O)O)O)O > 94.8 > 354.24062418 > 0 > 25 > 3 > 1 > 0 > 1 > 0 > 1 > -1 > 1 5 255 > 8 1 6 13 15 1 17 3 3 6 10 6 7 13 5 $$$$