LMST01100029 LIPID_MAPS_STRUCTURE_DATABASE 62 69 0 0 0 999 V2000 12.9598 11.2875 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 12.1031 10.7799 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 12.1031 9.8280 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 12.9598 9.3202 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 13.8482 9.8280 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 14.7049 9.3202 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 15.5617 9.8280 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 15.5617 10.7799 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 14.7049 11.2875 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 13.8482 10.7799 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 14.7049 12.2394 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 15.5617 12.7154 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 16.4183 12.2394 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 16.4183 11.2875 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 18.1635 11.2875 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 18.1635 12.2394 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 17.3069 12.7154 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 16.4183 13.2230 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 13.8482 11.7635 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 17.3069 13.6672 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 16.4183 14.1749 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 18.1635 14.1749 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 19.0202 13.6672 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 19.9086 14.1749 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 19.9014 15.1647 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 19.0280 15.6526 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 20.5374 15.7011 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 13.5072 8.3276 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 12.2617 8.6540 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 16.4183 10.3039 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 13.8482 8.8443 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 15.5617 11.7635 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 17.3069 11.7317 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 10.2240 8.8803 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 10.2240 7.8725 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 9.3511 9.3842 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 9.3511 7.3685 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 8.4783 8.8803 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 8.4783 7.8725 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 11.0968 9.3842 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 11.0968 7.3685 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 9.3510 6.3606 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 7.6054 7.3685 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 7.6054 9.3842 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.7326 8.8803 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 14.5300 8.1029 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 13.3590 7.5076 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 19.0320 16.5402 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 18.1584 15.2540 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 18.2448 13.3917 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 11.1266 6.3967 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 11.9994 5.8927 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 10.2538 5.8927 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 11.9995 4.8848 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 10.2537 4.8849 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 11.1266 4.3809 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 12.8723 6.3966 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 12.8723 4.3808 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 11.1266 3.3730 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 9.3809 4.3809 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 9.3809 3.3730 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 7.6054 10.3842 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 15 14 1 0 0 0 14 30 1 6 0 0 13 14 1 0 0 0 8 14 1 0 0 0 17 13 1 0 0 0 12 13 1 0 0 0 13 18 1 1 0 0 1 10 1 0 0 0 10 19 1 1 0 0 5 10 1 0 0 0 9 10 1 0 0 0 9 8 1 0 0 0 7 8 1 0 0 0 8 32 1 1 0 0 11 9 1 0 0 0 6 5 1 0 0 0 4 5 1 0 0 0 5 31 1 6 0 0 20 17 1 0 0 0 16 17 1 0 0 0 17 33 1 6 0 0 16 15 1 0 0 0 11 12 1 0 0 0 6 7 1 0 0 0 3 4 1 0 0 0 4 28 1 6 0 0 4 29 1 1 0 0 22 20 1 0 0 0 20 21 1 6 0 0 2 1 1 0 0 0 2 3 1 0 0 0 22 23 1 0 0 0 24 23 1 0 0 0 25 24 2 0 0 0 26 25 1 0 0 0 27 25 1 0 0 0 9 19 1 1 0 0 34 35 1 0 0 0 34 36 1 0 0 0 35 37 1 0 0 0 36 38 1 0 0 0 37 39 1 0 0 0 38 39 1 0 0 0 34 40 1 1 0 0 35 41 1 6 0 0 37 42 1 1 0 0 39 43 1 6 0 0 38 44 1 1 0 0 45 44 1 0 0 0 3 40 1 1 0 0 46 28 1 0 0 0 47 28 2 0 0 0 48 26 2 0 0 0 49 26 1 0 0 0 22 50 1 6 0 0 22 49 1 0 0 0 51 52 1 0 0 0 51 53 1 0 0 0 52 54 1 0 0 0 53 55 1 0 0 0 54 56 1 0 0 0 55 56 1 0 0 0 52 57 1 6 0 0 54 58 1 1 0 0 56 59 1 6 0 0 55 60 1 1 0 0 61 60 1 0 0 0 51 41 1 1 0 0 44 62 2 0 0 0 M END > LMST01100029 > Abrusoside E > (22S,24Z)-3beta-(beta-D-glucopyranosyl-(1-2)-beta-D-glucuronopyranosyloxy)-26-oxo-22,26-epoxy-9beta,19-cyclolanost- 24-en-28-oic acid > C42H62O16 > 822.40 > Sterol Lipids [ST] > Sterols [ST01] > Cycloartanols and derivatives [ST0110] > - > Abrusogenin-3-beta-D-glucuronopyranosyl)-(1-2)-beta-D-glucopyranoside > HMQKXUDOQSFWTG-YAQHSBSXSA-N > InChI=1S/C42H62O16/c1-18-6-7-21(54-34(18)51)19(2)20-10-12-39(4)23-8-9-24-40(5,37(52)53)25(11-13-41(24)17-42(23,41)15-14-38(20,39)3)56-36-32(29(47)28(46)31(57-36)33(49)50)58-35-30(48)27(45)26(44)22(16-43)55-35/h6,19-32,35-36,43-48H,7-17H2,1-5H3,(H,49,50)(H,52,53)/t19-,20+,21-,22+,23-,24-,25-,26+,27-,28-,29-,30+,31-,32+,35-,36+,38+,39-,40-,41+,42-/m0/s1 > C1C[C@H](O[C@@H]2O[C@H](C(=O)O)[C@@H](O)[C@H](O)[C@H]2O[C@@H]2O[C@H](CO)[C@@H](O)[C@H](O)[C@H]2O)[C@@](C)(C(=O)O)[C@]2([H])CC[C@]3([H])[C@@]4(C[C@]124)CC[C@]1(C)[C@]([H])(CC[C@]13C)[C@H](C)[C@]1(OC(=O)C(C)=CC1)[H] > - > - > - > - > - > - > 101616458 > - > - > - > - > - > 3816 > - $$$$