LMST01040312 LIPID_MAPS_STRUCTURE_DATABASE 50 55 0 0 0 999 V2000 12.3384 -10.1795 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 11.4682 -10.6818 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 11.4682 -11.6864 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 12.3384 -12.1888 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 13.2083 -11.6864 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 14.0783 -12.1888 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 14.9486 -11.6864 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 14.9486 -10.6818 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 14.0783 -10.1795 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 13.2083 -10.6818 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 14.0783 -9.1748 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 14.9486 -8.6725 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 15.8185 -9.1748 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 15.8185 -10.1795 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 17.5588 -10.1795 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 17.5588 -9.1748 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 16.6886 -8.6725 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 15.8185 -8.3962 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 13.2083 -9.9783 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 17.2521 -8.3471 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 10.6804 -12.1561 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 14.9486 -9.8278 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 14.0594 -11.0245 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 15.8185 -10.9590 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 13.2359 -12.4039 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 15.9043 -12.2383 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 15.7556 -7.1190 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 16.7115 -7.6709 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 17.6674 -7.1190 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 18.6232 -7.6709 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 19.5790 -7.1190 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 20.5348 -7.6709 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 21.4908 -7.1190 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 20.5348 -8.7746 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 19.5790 -6.0153 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 20.5348 -5.4634 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 18.6508 -8.4711 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 18.4869 -9.1473 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 9.6714 -13.8753 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 7.6777 -13.8612 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 6.6975 -12.1304 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 9.1910 -11.2821 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 6.7248 -10.5824 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 9.6858 -12.1503 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 9.1813 -13.0099 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 8.1820 -13.0015 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.6921 -12.1361 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 8.1965 -11.2765 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.7065 -10.4110 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 18.6232 -6.5672 0.0000 O 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 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 17 20 1 6 0 0 0 3 21 1 1 0 0 0 8 22 1 1 0 0 0 9 23 1 6 0 0 0 14 24 1 6 0 0 0 5 25 1 6 0 0 7 26 2 0 0 0 28 29 1 0 0 0 29 30 1 0 0 0 30 31 1 0 0 0 31 32 1 1 0 0 32 33 1 0 0 0 32 34 1 0 0 0 31 35 1 0 0 0 35 36 1 0 0 0 30 37 1 6 0 0 28 17 1 0 0 0 28 27 1 6 0 0 16 38 1 1 0 0 43 49 1 0 0 0 48 42 1 0 0 0 42 44 1 0 0 0 44 45 1 0 0 0 45 46 1 0 0 0 46 47 1 0 0 0 47 48 1 0 0 0 48 49 1 1 0 0 44 21 1 1 0 0 45 39 1 6 0 0 46 40 1 1 0 0 47 41 1 6 0 0 35 50 1 0 0 0 31 50 1 0 0 0 M END > LMST01040312 > Vernoglabroside D > 24S,28-epoxy-3beta,16beta,23R-trihydroxystigmastan-7-one 3-O-β-d-glucopyranoside > C35H58O10 > 638.40 > Sterol Lipids [ST] > Sterols [ST01] > Stigmasterols and C24-ethyl derivatives [ST0104] > - > > IYVPINFYGMNYDB-SUWYAUTPSA-N > InChI=1S/C35H58O10/c1-16(2)35(18(4)45-35)26(39)11-17(3)28-24(38)14-22-27-21(8-10-34(22,28)6)33(5)9-7-20(12-19(33)13-23(27)37)43-32-31(42)30(41)29(40)25(15-36)44-32/h16-22,24-32,36,38-42H,7-15H2,1-6H3/t17-,18?,19-,20+,21+,22+,24+,25-,26-,27-,28+,29-,30+,31-,32-,33+,34+,35-/m1/s1 > C1[C@]2(C)[C@@]3([H])CC[C@]4(C)[C@]([C@H](C)C[C@@H](O)[C@@]5(OC5C)C(C)C)([H])[C@@H](O)C[C@@]4([H])[C@]3([H])C(=O)C[C@@]2([H])C[C@@H](O[C@H]2[C@H](O)[C@@H](O)[C@H](O)[C@@H](CO)O2)C1 > - > - > - > ST 29:2;O5;Hex > - > - > 178334320 > - > - > - > - > - > 82756 > 40630019 $$$$