LMST01010452 LIPID_MAPS_STRUCTURE_DATABASE 43 45 0 0 0 999 V2000 10.1332 9.1611 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 10.9760 8.6689 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 9.2780 8.6814 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 10.1415 10.1415 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 11.8269 9.1528 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 10.9760 7.6884 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 9.2738 7.6966 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 8.4310 9.1652 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 10.9927 10.6296 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 11.8353 10.1291 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 13.5167 9.1320 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 11.8145 8.1766 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 10.1248 7.2003 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 8.4310 7.2003 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.4798 8.9192 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 12.6907 10.6088 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 11.8312 11.1135 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 13.5292 10.1081 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.4766 7.4584 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 8.1677 6.2486 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 9.1148 6.5024 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.7788 9.6079 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 12.6823 11.5933 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 14.3803 10.6088 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 13.5250 12.0815 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 11.8312 12.0815 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 12.6782 12.5780 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 14.3803 11.5974 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 13.5250 13.0660 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 15.2271 12.0856 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 16.0783 11.6016 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 16.0741 10.6171 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 16.9294 12.0981 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 16.9294 11.1093 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 10.9677 9.6659 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 13.5500 11.1177 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 9.2799 10.6455 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 9.2819 9.6796 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 10.1245 8.1629 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 17.9276 11.1086 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 18.4274 11.9727 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 18.4260 10.2437 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.2210 7.9533 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 1 2 1 0 0 0 0 1 3 1 0 0 0 0 1 4 1 0 0 0 0 2 5 1 0 0 0 0 2 6 1 0 0 0 0 3 7 1 0 0 0 0 3 8 1 0 0 0 0 4 9 1 0 0 0 0 5 10 1 0 0 0 0 5 11 1 0 0 0 0 5 12 1 6 0 0 0 6 13 1 0 0 0 0 7 14 1 0 0 0 0 8 15 1 0 0 0 0 10 16 1 0 0 0 0 10 17 1 1 0 0 0 11 18 1 0 0 0 0 14 19 1 0 0 0 0 14 20 1 0 0 0 0 14 21 1 0 0 0 0 15 22 2 0 0 0 0 16 23 1 0 0 0 0 18 24 1 6 0 0 0 23 25 1 0 0 0 0 23 26 1 6 0 0 0 23 27 1 1 0 0 0 25 28 1 0 0 0 0 25 29 2 0 0 0 0 28 30 1 0 0 0 0 30 31 1 0 0 0 0 31 32 1 0 0 0 0 31 33 1 0 0 0 0 31 34 1 0 0 0 0 7 13 2 0 0 0 0 9 10 1 0 0 0 0 16 18 1 0 0 0 0 2 35 1 1 0 0 0 16 36 1 6 0 0 0 4 37 2 0 0 0 3 38 1 6 0 0 1 39 1 1 0 0 34 40 1 0 0 0 40 41 2 0 0 0 40 42 1 0 0 0 15 43 1 0 0 0 M END > LMST01010452 > Colocynthenin E > > C31H48O9 > 564.33 > Sterol Lipids [ST] > Sterols [ST01] > Cholesterol and derivatives [ST0101] > - > > DOKSZSLDXMZOOW-SKCDPEBHSA-N > InChI=1S/C31H48O9/c1-17(32)40-26(2,3)13-12-22(34)31(9,39)25-20(33)15-28(6)21-11-10-18(27(4,5)38)19(14-24(36)37)30(21,8)23(35)16-29(25,28)7/h10,19-21,25,33,38-39H,11-16H2,1-9H3,(H,36,37)/t19-,20-,21+,25+,28+,29-,30+,31+/m1/s1 > [C@@]12(C)C(=O)C[C@]3(C)[C@]([H])([C@H](O)C[C@@]3(C)[C@]1([H])CC=C(C(C)(C)O)[C@@]2([H])CC(O)=O)[C@](O)(C)C(=O)CCC(OC(C)=O)(C)C > - > - > - > ST 31:4;O9 > - > - > 162656498 > - > - > - > - > - > 685054 > 33269591 $$$$