LMST01100027 LIPID_MAPS_STRUCTURE_DATABASE 61 68 0 0 0 999 V2000 12.9485 11.2777 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 12.0926 10.7705 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 12.0926 9.8195 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 12.9485 9.3121 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 13.8362 9.8195 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 14.6921 9.3121 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 15.5482 9.8195 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 15.5482 10.7705 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 14.6921 11.2777 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 13.8362 10.7705 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 14.6921 12.2288 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 15.5482 12.7043 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 16.4040 12.2288 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 16.4040 11.2777 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 18.1477 11.2777 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 18.1477 12.2288 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 17.2918 12.7043 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 16.4040 13.2115 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 13.8362 11.7533 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 17.2918 13.6553 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 16.4040 14.1626 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 18.1477 14.1626 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 19.0037 13.6553 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 19.8913 14.1626 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 19.8841 15.1515 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 19.0115 15.6390 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 20.5195 15.6874 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 13.4955 8.3204 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 12.2510 8.6465 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 16.4040 10.2949 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 13.8362 8.8366 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 15.5482 11.7533 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 17.2918 11.7215 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 10.2151 8.8726 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 10.2151 7.8657 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 9.3430 9.3760 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 9.3430 7.3621 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 8.4709 8.8726 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 8.4709 7.8657 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 11.0871 9.3760 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 11.0871 7.3621 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 9.3429 6.3551 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 7.5988 7.3621 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 7.5988 9.3760 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.7267 8.8726 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 14.5174 8.0959 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 13.3474 7.5011 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 19.0154 16.5258 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 18.1426 15.2407 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 18.2289 13.3801 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 11.1169 6.3911 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 11.9890 5.8876 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 10.2449 5.8876 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 11.9891 4.8806 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 10.2448 4.8807 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 11.1169 4.3771 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 12.8611 6.3910 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 12.8611 4.3770 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 11.1169 3.3701 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 9.3727 4.3771 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 9.3727 3.3701 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 M END > LMST01100027 > Abrusoside C > (22S,24Z)-3beta-(beta-D-glucopyranosyl-(1-2)-beta-D-glucopyranosyloxy)-26-oxo-22,26-epoxy-9beta,19-cyclolanost- 24-en-28-oic acid > C42H64O15 > 808.42 > Sterol Lipids [ST] > Sterols [ST01] > Cycloartanols and derivatives [ST0110] > - > Abrusogenin-3-beta-D-glucopyranosyl)-(1-2)-beta-D-glucopyranoside > NISBQKZXGCOUOU-UNEPLQKGSA-N > InChI=1S/C42H64O15/c1-19-6-7-22(53-34(19)50)20(2)21-10-12-39(4)25-8-9-26-40(5,37(51)52)27(11-13-41(26)18-42(25,41)15-14-38(21,39)3)56-36-33(31(48)29(46)24(17-44)55-36)57-35-32(49)30(47)28(45)23(16-43)54-35/h6,20-33,35-36,43-49H,7-18H2,1-5H3,(H,51,52)/t20-,21+,22-,23+,24+,25-,26-,27-,28+,29+,30-,31-,32+,33+,35-,36-,38+,39-,40-,41+,42-/m0/s1 > C1C[C@H](O[C@@H]2O[C@H](CO)[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] > - > - > - > - > - > - > 14488060 > - > - > - > - > - > 3816 > 2691636 $$$$