LMST01120059 LIPID_MAPS_STRUCTURE_DATABASE 42 48 0 0 0 999 V2000 8.4653 8.8616 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.5991 8.3614 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 8.4653 6.8609 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 10.1981 6.8609 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 11.0643 7.3610 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 10.1981 9.8620 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 12.8821 8.5525 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.5991 7.3610 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 9.3317 7.3610 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 9.3317 6.3606 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 9.3317 8.3614 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 9.3317 9.3617 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 10.1981 8.8616 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 10.1981 7.8613 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 11.9307 8.8616 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 12.5057 7.9613 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 11.0643 10.3621 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 11.0643 11.3625 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 11.9307 9.8620 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 11.9307 10.8624 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 14.1003 11.4215 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 12.5745 11.9619 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 13.1412 11.1375 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 14.1265 12.4215 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 13.1836 12.7556 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 12.8489 13.6840 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 12.8821 10.1712 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 13.8484 10.4301 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 11.0643 8.3614 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 13.4701 9.3617 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.7326 6.8609 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 11.8393 7.8117 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 5.4643 5.4799 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 3.4881 6.0179 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 2.7841 7.9412 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 5.3885 8.0954 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 5.7520 7.1382 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.1085 6.4375 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.1201 6.7143 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.7644 7.6716 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.4080 8.3724 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.0524 9.3222 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1 2 1 0 0 0 0 1 11 1 0 0 0 0 2 8 1 0 0 0 0 8 3 1 0 0 0 0 3 9 1 0 0 0 0 13 11 1 0 0 0 0 11 9 1 0 0 0 0 9 4 1 0 0 0 0 4 5 1 0 0 0 0 5 29 1 0 0 0 0 29 15 1 0 0 0 0 13 29 1 0 0 0 0 6 13 1 0 0 0 0 17 6 1 0 0 0 0 17 19 1 0 0 0 0 27 19 1 0 0 0 0 19 15 1 0 0 0 0 15 7 1 0 0 0 0 27 30 1 0 0 0 0 7 30 1 0 0 0 0 8 31 1 1 0 0 0 9 10 1 6 0 0 0 11 12 1 1 0 0 0 13 14 1 6 0 0 0 15 16 1 1 0 0 0 17 18 1 1 0 0 0 19 20 1 1 0 0 0 27 23 1 0 0 0 0 21 24 1 0 0 0 0 21 23 1 0 0 0 0 24 25 1 0 0 0 0 25 22 1 0 0 0 0 22 23 2 0 0 0 0 25 26 2 0 0 0 0 27 28 1 6 0 0 0 29 32 1 1 0 0 0 5 32 1 1 0 0 41 36 1 0 0 0 36 37 1 0 0 0 37 38 1 0 0 0 38 39 1 0 0 0 39 40 1 0 0 0 40 41 1 0 0 0 41 42 1 1 0 0 37 31 1 1 0 0 38 33 1 6 0 0 39 34 1 6 0 0 40 35 1 6 0 0 M END > LMST01120059 > Aspecioside > 3-O-(6-deoxy-beta-D-allopyranosyl)-7-beta,8beta-epoxy-3-beta,12beta,14beta-trihydroxy-5-alpha-card-20(22)-enolide > C29H42O10 > 550.28 > Sterol Lipids [ST] > Sterols [ST01] > Cardanolides and derivatives [ST0112] > - > 12beta-hydroxy-5alpha-tanghinigenin-3-(6-deoxy-beta-D-allopyranoside) > BEDAFJYDKDOALK-FHLCUQDTSA-N > InChI=1S/C29H42O10/c1-13-22(32)23(33)24(34)25(37-13)38-16-4-6-26(2)15(9-16)10-20-29(39-20)18(26)11-19(30)27(3)17(5-7-28(27,29)35)14-8-21(31)36-12-14/h8,13,15-20,22-25,30,32-35H,4-7,9-12H2,1-3H3/t13-,15-,16+,17-,18-,19-,20+,22-,23-,24-,25+,26+,27+,28-,29-/m1/s1 > C1[C@@]2(C)[C@@]([H])(C[C@@H]3O[C@@]43[C@]2([H])C[C@@H](O)[C@@]2(C)[C@]4(O)CC[C@]2([H])C2=CC(=O)OC2)C[C@@H](O[C@H]2[C@H](O)[C@H](O)[C@H](O)[C@@H](C)O2)C1 > C08850 > - > 2878 > - > - > - > 441845 > - > - > - > - > - > 528299 > - $$$$