LMST01130007 LIPID_MAPS_STRUCTURE_DATABASE 45 50 0 0 0 999 V2000 12.5818 10.0676 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 11.6645 9.5380 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 11.6645 8.4789 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 12.5818 7.9492 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 13.4990 8.4789 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 15.3336 8.4789 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 15.3336 9.5380 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 14.4162 10.0676 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 13.4990 9.5380 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 14.4162 11.1268 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 15.3336 11.6565 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 16.2506 11.1268 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 16.2506 10.0676 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 18.0853 10.0676 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 18.0853 11.1268 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 17.1680 11.6565 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 16.2506 11.9476 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 13.4990 10.2796 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 17.1680 12.5037 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 17.7620 11.9993 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 11.0083 8.1002 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 15.3336 10.4384 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 14.3961 9.1767 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 16.2506 9.2458 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 17.9585 12.9601 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 17.9585 13.8728 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 17.1680 14.3292 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 16.3777 13.8728 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 16.3777 12.9601 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 17.1680 15.0265 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 14.4162 7.9492 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 15.1183 6.4154 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 14.4162 6.8902 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 13.4990 6.3606 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 10.9942 6.0989 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 9.2536 5.1104 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 7.5325 6.1233 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 9.2747 8.1125 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 6.7792 7.4828 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 10.1407 7.6060 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 10.1336 6.6054 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 9.2605 6.1110 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 8.4001 6.6175 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 8.4072 7.6181 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.5467 8.1246 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 2 0 0 0 0 5 31 1 0 0 0 0 31 6 1 0 0 0 0 6 7 1 0 0 0 0 7 8 1 0 0 0 0 8 10 1 0 0 0 0 10 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 19 1 0 0 0 0 1 9 1 0 0 0 0 5 9 1 0 0 0 0 8 9 1 0 0 0 0 7 13 1 0 0 0 0 12 16 1 0 0 0 0 12 17 1 1 0 0 0 9 18 1 1 0 0 0 16 20 1 6 0 0 0 3 21 1 1 0 0 0 7 22 1 1 0 0 0 8 23 1 6 0 0 0 13 24 1 1 0 0 0 19 25 1 0 0 0 0 25 26 2 0 0 0 0 26 27 1 0 0 0 0 27 28 1 0 0 0 0 28 29 1 0 0 0 0 29 19 2 0 0 0 0 27 30 2 0 0 0 0 31 33 1 1 0 0 0 33 32 2 0 0 0 0 33 34 1 0 0 0 0 39 45 1 0 0 0 44 38 1 0 0 0 38 40 1 0 0 0 40 41 1 0 0 0 41 42 1 0 0 0 42 43 1 0 0 0 43 44 1 0 0 0 44 45 1 1 0 0 40 21 1 1 0 0 41 35 1 6 0 0 42 36 1 1 0 0 43 37 1 6 0 0 M END > LMST01130007 > Scilliroside > 3-O-(beta-D-glucopyranosyl)-6beta-acetoxy-3beta,8beta,14beta-trihydroxybufa-4,20,22-trienolide > C32H44O11 > 604.29 > Sterol Lipids [ST] > Sterols [ST01] > Bufanolides and derivatives [ST0113] > - > Scillirosidin 3-O-glucoside > QDGKTFOPMZQUSE-ZSMGSENVSA-N > InChI=1S/C32H44O11/c1-16(34)19-13-31(39)23(8-10-30(3)20(7-11-32(30,31)40)17-4-5-24(35)41-15-17)29(2)9-6-18(12-21(19)29)42-28-27(38)26(37)25(36)22(14-33)43-28/h4-5,12,15,18-20,22-23,25-28,33,36-40H,6-11,13-14H2,1-3H3/t18-,19-,20+,22+,23+,25+,26-,27+,28+,29-,30+,31-,32+/m0/s1 > C1[C@]2(C)[C@@]3([H])CC[C@]4(C)[C@@]([H])(C5=COC(=O)C=C5)CC[C@]4(O)[C@]3(O)C[C@@H](C(C)=O)C2=C[C@@H](O[C@H]2[C@H](O)[C@@H](O)[C@H](O)[C@@H](CO)O2)C1 > C08880 > - > - > ST 26:6;O6;Hex > - > - > 52931496 > - > - > - > - > - > - > - $$$$