70631415 -OEChem-05102420482D 62 62 0 1 0 0 0 0 0999 V2000 10.3299 -2.5016 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 8.5698 0.7772 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 12.0339 0.7772 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 2.5896 0.6908 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 2.0544 -0.9565 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 7.7608 -2.8106 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 8.5698 -2.2228 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 9.3788 -2.8106 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 8.0698 -3.7617 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 9.0698 -3.7617 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.8097 -2.5016 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 8.5698 -1.2228 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 9.4358 -0.7228 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.0666 -3.1707 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 9.4358 0.2772 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 10.3018 0.7772 0.0000 C 0 0 3 0 0 0 0 0 0 0 0 0 10.3018 1.7772 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.1155 -2.8617 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 11.1679 0.2772 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 11.1679 2.2772 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.9076 -1.8836 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 11.1679 3.2772 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.9565 -1.5745 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 12.0339 3.7772 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.7486 -0.5964 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.7976 -0.2874 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.3224 -3.2490 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 9.1222 -1.9414 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 9.4758 -2.1982 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 7.4633 -3.8906 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 8.1346 -4.3783 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 9.0050 -4.3783 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 9.6762 -3.8906 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 7.1008 -1.9542 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 6.3211 -2.1199 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 8.0328 -0.9128 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 9.9727 -1.0328 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 10.7906 -2.9165 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 6.1955 -3.7772 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 8.8989 -0.0328 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 9.7649 1.0872 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 10.0898 2.3598 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 9.6912 1.6695 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 4.6548 -3.2766 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 10.7693 -0.1978 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 11.5664 -0.1978 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 11.3799 1.6946 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 11.7784 2.3848 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 5.5272 -1.8619 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 4.9939 -1.2696 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 8.5698 1.3972 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 10.9558 3.8598 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 10.5573 3.1695 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 3.3369 -1.5962 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 3.8702 -2.1885 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 12.5708 0.4672 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 12.3439 3.2402 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 12.5708 4.0872 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 11.7239 4.3141 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 4.3682 -0.5748 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 3.8349 0.0176 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 2.0000 0.8824 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 15 2 1 1 0 0 0 2 51 1 0 0 0 0 3 19 1 0 0 0 0 3 56 1 0 0 0 0 4 26 1 0 0 0 0 4 62 1 0 0 0 0 5 26 2 0 0 0 0 6 7 1 0 0 0 0 6 9 1 0 0 0 0 6 11 1 6 0 0 0 6 27 1 0 0 0 0 7 8 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 9 31 1 0 0 0 0 10 32 1 0 0 0 0 10 33 1 0 0 0 0 11 14 1 0 0 0 0 11 34 1 0 0 0 0 11 35 1 0 0 0 0 12 13 2 0 0 0 0 12 36 1 0 0 0 0 13 15 1 0 0 0 0 13 37 1 0 0 0 0 14 18 2 0 0 0 0 14 39 1 0 0 0 0 15 16 1 0 0 0 0 15 40 1 0 0 0 0 16 17 1 0 0 0 0 16 19 1 0 0 0 0 16 41 1 0 0 0 0 17 20 1 0 0 0 0 17 42 1 0 0 0 0 17 43 1 0 0 0 0 18 21 1 0 0 0 0 18 44 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 23 1 0 0 0 0 21 49 1 0 0 0 0 21 50 1 0 0 0 0 22 24 1 0 0 0 0 22 52 1 0 0 0 0 22 53 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 24 57 1 0 0 0 0 24 58 1 0 0 0 0 24 59 1 0 0 0 0 25 26 1 0 0 0 0 25 60 1 0 0 0 0 25 61 1 0 0 0 0 M END > 70631415 > 1 > 446 > 5 > 4 > 13 > AAADcfB4OAAAAAAAAAAAAAAAAAAAAYAAAAAAAAAAAAAAAAAAAAAAGgAACAAADRSggAICCAAAAgCIACDSCAAAAAAgAAAICAEAAAgAFBIAAQAAUAAFwAAIEAOIwIAOgAAAAAAAAAAAAAAAAAAAAIAADAAAAA== > (Z)-7-[(1R,2S,3R)-3-hydroxy-2-[(E,3R)-3-hydroxy-4-(hydroxymethyl)oct-1-enyl]cyclopentyl]hept-5-enoic acid > (Z)-7-[(1R,2S,3R)-3-hydroxy-2-[(E,3R)-3-hydroxy-4-(hydroxymethyl)oct-1-enyl]cyclopentyl]-5-heptenoic acid > (Z)-7-[(1R,2S,3R)-3-hydroxy-2-[(E,3R)-3-hydroxy-4-(hydroxymethyl)oct-1-enyl]cyclopentyl]hept-5-enoic acid > (Z)-7-[(1R,2S,3R)-3-hydroxy-2-[(E,3R)-3-hydroxy-4-(hydroxymethyl)oct-1-enyl]cyclopentyl]hept-5-enoic acid > (Z)-7-[(1R,2S,3R)-2-[(E,3R)-4-(hydroxymethyl)-3-oxidanyl-oct-1-enyl]-3-oxidanyl-cyclopentyl]hept-5-enoic acid > (Z)-7-[(1R,2S,3R)-3-hydroxy-2-[(E,3R)-3-hydroxy-4-methylol-oct-1-enyl]cyclopentyl]hept-5-enoic acid > InChI=1S/C21H36O5/c1-2-3-8-17(15-22)19(23)14-12-18-16(11-13-20(18)24)9-6-4-5-7-10-21(25)26/h4,6,12,14,16-20,22-24H,2-3,5,7-11,13,15H2,1H3,(H,25,26)/b6-4-,14-12+/t16-,17?,18+,19+,20+/m0/s1 > MWJUWIHETIGAEM-VMFMBGJWSA-N > 2.9 > 368.25627424 > C21H36O5 > 368.5 > CCCCC(CO)C(C=CC1C(CCC1O)CC=CCCCC(=O)O)O > CCCCC(CO)[C@@H](/C=C/[C@@H]1[C@H](CC[C@H]1O)C/C=C\CCCC(=O)O)O > 98 > 368.25627424 > 0 > 26 > 4 > 1 > 2 > 0 > 0 > 1 > -1 > 1 5 255 > 8 1 6 16 17 3 15 2 5 6 11 6 7 12 5 $$$$