LMST01031250 LIPID_MAPS_STRUCTURE_DATABASE 41 44 0 0 0 999 V2000 8.2780 8.3416 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.3279 7.7932 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.3279 6.6961 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 8.2780 6.1474 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 9.2278 6.6961 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 10.1779 6.1474 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 11.1280 6.6961 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 11.1280 7.7932 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 10.1779 8.3416 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 9.2278 7.7932 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 10.1779 9.4386 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 11.1280 9.9870 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 12.0780 9.4386 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 12.0780 8.3416 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 13.9785 8.3416 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 13.9785 9.4386 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 13.0284 9.9870 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 12.0780 10.2888 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 9.2278 8.5612 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 13.0284 10.8649 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 12.1348 11.1040 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 13.7884 11.3034 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 14.5485 10.8649 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 15.3085 11.3034 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 16.0684 10.8649 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 16.8285 11.3034 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 13.6436 10.3424 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 13.0284 11.8006 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 6.6481 6.3037 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 15.3069 12.1812 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 11.1028 8.5490 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 10.1572 7.4188 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 12.0780 7.6924 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 9.2278 5.6864 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 8.2781 5.1378 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 14.5486 9.9649 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 9.3119 9.9386 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 14.9062 9.1904 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 14.5517 8.2554 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 16.0684 9.8649 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 15.8932 9.3510 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1 2 1 0 0 0 0 2 3 1 0 0 0 0 3 4 1 0 0 0 0 4 5 1 0 0 0 0 5 6 1 0 0 0 0 6 7 1 0 0 0 0 7 8 1 0 0 0 0 8 9 1 0 0 0 0 9 11 1 0 0 0 0 11 12 1 0 0 0 0 12 13 1 0 0 0 0 13 14 1 0 0 0 0 14 15 1 0 0 0 0 15 16 1 0 0 0 0 16 17 1 0 0 0 0 17 20 1 0 0 0 0 20 22 1 0 0 0 0 22 23 1 0 0 0 0 23 24 1 0 0 0 0 24 25 1 0 0 0 0 25 26 1 0 0 0 0 1 10 1 0 0 0 0 5 10 1 0 0 0 0 9 10 1 0 0 0 0 8 14 1 0 0 0 0 13 17 1 0 0 0 0 13 18 1 1 0 0 0 10 19 1 1 0 0 0 20 21 1 6 0 0 0 17 27 1 6 0 0 0 20 28 1 1 0 0 0 3 29 1 1 0 0 0 24 30 2 0 0 0 0 8 31 1 1 0 0 0 9 32 1 6 0 0 0 14 33 1 6 0 0 0 5 34 1 6 0 0 4 35 1 6 0 0 23 36 1 4 0 0 11 37 1 1 0 0 36 38 1 0 0 0 38 39 2 0 0 0 25 40 1 0 0 0 38 41 1 0 0 0 M END > LMST01031250 > > 23-acetoxy-4alpha,24-dimethyl-5alpha-cholest-24(28)-en-3beta,8beta,11beta-triol > C31H52O5 > 504.38 > Sterol Lipids [ST] > Sterols [ST01] > Ergosterols and C24-methyl derivatives [ST0103] > - > > MMCKCEWSRQWJRC-MQZDQBNBSA-N > InChI=1S/C31H52O5/c1-17(2)19(4)26(36-21(6)32)15-18(3)22-9-10-27-30(22,8)16-25(34)28-29(7)13-12-24(33)20(5)23(29)11-14-31(27,28)35/h17-18,20,22-28,33-35H,4,9-16H2,1-3,5-8H3/t18-,20+,22-,23+,24+,25+,26?,27-,28-,29+,30-,31-/m1/s1 > C1[C@]2(C)[C@@]3([H])[C@@H](O)C[C@]4(C)[C@@]([H])([C@]([H])(C)CC(OC(C)=O)C(=C)C(C)C)CC[C@@]4([H])[C@]3(O)CC[C@@]2([H])[C@H](C)[C@@H](O)C1 > - > - > - > ST 31:2;O5 > - > - > 132529877 > - > - > - > - > - > 2641924 > 35031429 $$$$