LMST01010457 LIPID_MAPS_STRUCTURE_DATABASE 45 47 0 0 0 999 V2000 10.1298 9.1581 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 10.9724 8.6660 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 9.2749 8.6785 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 10.1381 10.1381 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 11.8230 9.1498 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 10.9724 7.6859 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 9.2707 7.6941 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 8.4282 9.1622 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 10.9891 10.6261 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 11.8314 10.1257 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 13.5122 9.1290 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 11.8106 8.1739 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 10.1214 7.1979 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 8.4282 7.1979 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.4625 9.3411 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 12.6865 10.6053 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 11.8273 11.1098 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 13.5247 10.1048 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.4438 7.2863 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 8.3342 6.2153 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 9.2225 6.6295 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.2433 9.9363 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 12.6781 11.5895 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 14.3755 10.6053 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 13.5205 12.0775 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 11.8273 12.0775 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 12.6740 12.5738 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 14.3755 11.5936 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 13.5205 13.0617 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 15.2221 12.0816 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 16.0730 11.5978 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 16.0688 10.6136 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 16.9238 12.0941 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 16.9238 11.1056 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 10.9641 9.6627 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 13.5455 11.1140 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 9.2768 10.6420 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 9.2788 9.6764 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 10.1211 8.1602 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 17.9217 11.1049 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 18.4213 11.9687 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 18.4199 10.2403 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.9449 8.7254 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 7.0740 8.0502 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 7.0060 6.6959 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 19 44 1 0 0 0 19 45 2 0 0 0 M END > LMST01010457 > Colocynthenin F > > C32H48O10 > 592.32 > Sterol Lipids [ST] > Sterols [ST01] > Cholesterol and derivatives [ST0101] > - > > JRWYAESVJOLYCQ-FBZMDERGSA-N > InChI=1S/C32H48O10/c1-17(33)42-27(2,3)13-12-22(35)32(9,41)25-20(34)15-29(6)21-11-10-18(28(4,5)26(39)40)19(14-24(37)38)31(21,8)23(36)16-30(25,29)7/h10,19-21,25,34,41H,11-16H2,1-9H3,(H,37,38)(H,39,40)/t19-,20-,21+,25+,29+,30-,31+,32+/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)C(=O)O)[C@@]2([H])CC(O)=O)[C@](O)(C)C(=O)CCC(OC(C)=O)(C)C > - > - > - > ST 32:5;O10 > - > - > 162673285 > - > - > - > - > - > 685054 > 33269591 $$$$