LMST01040311 LIPID_MAPS_STRUCTURE_DATABASE 51 56 0 0 0 999 V2000 12.3875 -10.2200 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 11.5139 -10.7243 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 11.5139 -11.7330 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 12.3875 -12.2374 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 13.2609 -11.7330 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 14.1344 -12.2374 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 15.0081 -11.7330 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 15.0081 -10.7243 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 14.1344 -10.2200 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 13.2609 -10.7243 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 14.1344 -9.2113 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 15.0081 -8.7070 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 15.8815 -9.2113 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 15.8815 -10.2200 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 17.6287 -10.2200 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 17.6287 -9.2113 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 16.7551 -8.7070 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 15.8815 -8.4296 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 13.2609 -10.0180 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 17.3208 -8.3803 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 10.7229 -12.2045 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 15.0081 -9.8669 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 14.1154 -11.0684 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 15.8815 -11.0027 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 13.2886 -12.4533 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 15.9677 -12.2870 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 15.8184 -7.1474 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 16.7781 -7.7015 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 17.7378 -7.1474 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 18.6974 -7.7015 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 19.6570 -7.1474 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 20.6166 -7.7015 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 21.5764 -7.1474 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 20.6166 -8.8096 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 19.6570 -6.0393 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 20.6166 -5.4852 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 18.7251 -8.5048 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 18.5605 -9.1837 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 9.7099 -13.9306 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 7.7083 -13.9164 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 6.7242 -12.1787 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 9.2276 -11.3270 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 6.7516 -10.6246 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 9.7244 -12.1987 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 9.2179 -13.0617 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 8.2146 -13.0533 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.7227 -12.1844 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 8.2292 -11.3214 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.7372 -10.4525 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 18.6974 -6.5934 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 14.1344 -13.2374 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 6 51 1 6 0 0 M END > LMST01040311 > Vernoglabroside C > 24S,28-epoxy-3beta,6alpha,16beta,23R-tetrahydroxystigmastan-7-one 3-O-β-d-glucopyranoside > C35H58O11 > 654.40 > Sterol Lipids [ST] > Sterols [ST01] > Stigmasterols and C24-ethyl derivatives [ST0104] > - > > PMPZWMLJIOVXJA-BPQFHIFRSA-N > InChI=1S/C35H58O11/c1-15(2)35(17(4)46-35)24(38)11-16(3)26-22(37)13-20-25-19(8-10-34(20,26)6)33(5)9-7-18(12-21(33)27(39)29(25)41)44-32-31(43)30(42)28(40)23(14-36)45-32/h15-28,30-32,36-40,42-43H,7-14H2,1-6H3/t16-,17?,18+,19+,20+,21-,22+,23-,24-,25-,26+,27-,28-,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@H](O)[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;O6;Hex > - > - > - > - > - > - > - > - > 82756 > 40630019 $$$$