LMST01120020 LIPID_MAPS_STRUCTURE_DATABASE 43 48 0 0 0 0 0 0 0 0999 V2000 9.8413 7.7225 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 9.1268 7.3100 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 9.8413 6.0725 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 11.2702 6.0725 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 11.9846 6.4850 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 11.9846 8.9600 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 11.2702 8.5475 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 13.4838 7.4676 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 9.1268 6.4850 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 12.6992 7.7225 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 12.6992 6.8975 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 10.5557 7.3100 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 10.5557 6.4850 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 10.5557 5.6600 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 11.9846 7.3100 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 11.9846 8.1350 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 12.6992 8.5475 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 12.6992 9.3725 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 13.9687 8.1350 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 14.7937 8.1350 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 10.5557 8.1350 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 9.8412 8.5475 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 13.4838 9.6274 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 14.1513 10.1124 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 12.8164 10.1124 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 13.4838 8.8024 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 14.1983 9.2149 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 11.2702 7.7225 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 11.2702 6.8975 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 13.0713 10.8969 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 13.8963 10.8969 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 14.4797 11.4803 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 8.4123 6.0725 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 7.6978 6.4850 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 7.6978 7.3100 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 6.9834 7.7225 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 6.9834 8.5475 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.9834 6.0725 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 6.9834 5.2475 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 6.2689 6.4850 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 5.5544 6.0725 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 6.2689 7.3100 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 5.5544 7.7225 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 1 2 1 0 0 0 0 1 12 1 0 0 0 0 2 9 1 0 0 0 0 9 3 1 0 0 0 0 3 13 1 0 0 0 0 28 12 1 0 0 0 0 12 13 1 0 0 0 0 13 4 1 0 0 0 0 4 5 1 0 0 0 0 5 15 1 0 0 0 0 15 10 1 0 0 0 0 28 15 1 0 0 0 0 7 28 1 0 0 0 0 6 7 1 0 0 0 0 6 17 1 0 0 0 0 10 8 1 0 0 0 0 17 10 1 0 0 0 0 26 17 1 0 0 0 0 26 19 1 0 0 0 0 8 19 1 0 0 0 0 9 33 1 1 0 0 0 10 11 1 1 0 0 0 12 21 1 1 0 0 0 13 14 1 1 0 0 0 15 16 1 1 0 0 0 17 18 1 1 0 0 0 19 20 1 1 0 0 0 21 22 2 0 0 0 0 26 23 1 0 0 0 0 23 24 2 0 0 0 0 23 25 1 0 0 0 0 24 31 1 0 0 0 0 31 30 1 0 0 0 0 30 25 1 0 0 0 0 26 27 1 6 0 0 0 28 29 1 6 0 0 0 31 32 2 0 0 0 0 34 33 1 1 0 0 0 38 34 1 0 0 0 0 34 35 1 0 0 0 0 36 42 1 0 0 0 0 36 35 1 0 0 0 0 42 40 1 0 0 0 0 40 38 1 0 0 0 0 36 37 1 6 0 0 0 38 39 1 6 0 0 0 40 41 1 6 0 0 0 42 43 1 1 0 0 0 M END > LMST01120020 > adonitoxin > 3beta-(6-deoxy-alpha-L-mannopyranosyloxy)-14,16beta-dihydroxy-19-oxo-5beta-card-20(22)-enolide > C29H42O10 > 550.28 > Sterol Lipids [ST] > Sterols [ST01] > Cardanolides and derivatives [ST0112] > - > Adonitoxigenin 3-O-alpha-L-rhamnoside; Adonitoxin > ARANEVHRNOGYRH-BBNLJEPRSA-N > InChI=1S/C29H42O10/c1-14-23(33)24(34)25(35)26(38-14)39-17-5-8-28(13-30)16(10-17)3-4-19-18(28)6-7-27(2)22(15-9-21(32)37-12-15)20(31)11-29(19,27)36/h9,13-14,16-20,22-26,31,33-36H,3-8,10-12H2,1-2H3/t14-,16+,17-,18-,19+,20-,22-,23-,24+,25+,26-,27+,28+,29-/m0/s1 > C1[C@@]2(C=O)[C@]([H])(CC[C@]3([H])[C@]2([H])CC[C@]2(C)[C@@]([H])(C4COC(=O)C=4)[C@@H](O)C[C@]32O)C[C@@H](O[C@@H]2O[C@@H](C)[C@H](O)[C@@H](O)[C@H]2O)C1 > C08843 > - > 28930 > - > - > - > 441838 > - > - > - > - > - > - > - $$$$