LMST01080107 LIPID_MAPS_STRUCTURE_DATABASE 64 73 0 0 0 999 V2000 2.6493 6.9901 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 1.7767 5.0208 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -0.3901 5.2472 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 0.9185 7.4700 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -1.5377 6.6380 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 1.6723 6.7822 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.2720 5.8842 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.2668 5.9911 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.0511 6.9693 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.8606 7.3681 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.6068 6.9007 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 9.6282 7.5973 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 3.9363 2.0479 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.7285 2.5928 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.5989 2.1794 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.3912 2.7241 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.3149 3.6872 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.4447 4.1007 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.6502 3.5510 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 5.6772 1.2211 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 7.2615 2.3109 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 7.1071 4.2322 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 3.7658 8.5610 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.1649 7.6861 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.0056 6.0261 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.9673 5.9338 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.5256 6.7191 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.1224 7.5970 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 5.3664 5.0590 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 11.1016 6.5088 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 9.6457 5.6228 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 8.0107 8.4343 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 8.8187 7.0343 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 17.2741 11.5072 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 16.3727 11.7489 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 15.2985 11.4421 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 15.8141 10.7813 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 14.7333 11.0647 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 13.6593 10.7577 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 14.2178 11.7251 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 11.5121 11.3066 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 12.0515 10.7673 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 13.6680 9.8339 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 11.2432 7.7099 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 6.4830 6.6297 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 8.8187 8.6211 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 11.2432 10.0907 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 12.0515 9.8339 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 12.8597 9.3673 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 12.8597 8.4343 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 11.2432 8.4343 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 11.2432 9.3673 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 10.4352 9.8339 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 9.6268 9.3673 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 8.8187 7.9674 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 9.6268 8.4343 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 10.4352 7.9674 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 10.4352 7.0343 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 9.6268 6.5674 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 8.0107 6.5674 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.2025 7.0343 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.2025 7.9674 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.8061 8.4786 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 3.4474 5.2406 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 9 4 1 0 0 0 9 8 1 0 0 0 4 6 1 0 0 0 8 7 1 0 0 0 6 7 1 0 0 0 9 10 1 6 0 0 10 5 1 0 0 0 6 1 1 1 0 0 7 2 1 6 0 0 8 3 1 1 0 0 11 1 1 6 0 0 63 23 1 0 0 0 25 64 1 1 0 0 56 12 1 6 0 0 15 20 1 1 0 0 16 21 1 6 0 0 17 22 1 6 0 0 18 29 1 1 0 0 14 13 1 6 0 0 15 14 1 0 0 0 16 15 1 0 0 0 17 16 1 0 0 0 18 17 1 0 0 0 19 18 1 0 0 0 14 19 1 0 0 0 26 29 1 6 0 0 27 45 1 1 0 0 24 23 1 1 0 0 11 24 1 0 0 0 25 11 1 0 0 0 26 25 1 0 0 0 27 26 1 0 0 0 28 27 1 0 0 0 24 28 1 0 0 0 31 30 1 0 0 0 57 30 1 6 0 0 33 31 1 6 0 0 35 34 1 0 0 0 0 35 37 1 1 0 0 0 39 43 1 0 0 0 0 42 39 1 0 0 0 0 36 40 1 0 0 0 0 35 36 1 0 0 0 0 38 37 1 0 0 0 0 39 38 1 1 0 0 0 39 40 1 6 0 0 0 42 41 1 6 0 0 0 48 42 1 1 0 0 0 49 43 1 1 0 0 0 51 44 1 6 0 0 0 61 45 1 1 0 0 0 55 46 1 1 0 0 0 52 47 1 1 0 0 0 52 48 1 0 0 0 0 57 51 1 0 0 0 0 56 55 1 0 0 0 0 33 55 1 0 0 0 0 32 55 1 0 0 0 0 49 48 1 0 0 0 0 50 49 1 0 0 0 0 51 50 1 0 0 0 0 52 51 1 0 0 0 0 53 52 1 0 0 0 0 54 53 1 0 0 0 0 56 54 1 0 0 0 0 57 56 1 0 0 0 0 58 57 1 0 0 0 0 59 58 2 0 0 0 0 33 59 1 0 0 0 0 60 33 1 0 0 0 0 61 60 1 0 0 0 0 62 61 1 0 0 0 0 32 62 1 0 0 0 0 M END > LMST01080107 > Pariposide C > (25R)-spirost-6-ene-3beta-ol-5alpha,8alpha-epidioxy-3-O-alpha-l-rhamnopyranosyl-(1-4)-[alpha-L-Arabinofuranosyl-(1 -2)- beta-D-glucopyranoside > C44H68O18 > 884.44 > Sterol Lipids [ST] > Sterols [ST01] > Spirostanols and derivatives [ST0108] > - > > PZXXFFBCGKDHFB-QGMLVCNKSA-N > InChI=1S/C44H68O18/c1-19-6-11-44(53-18-19)20(2)28-23(60-44)14-27-40(28,4)9-8-26-41(5)10-7-22(15-42(41)12-13-43(26,27)62-61-42)55-39-36(59-37-33(51)31(49)29(47)21(3)54-37)34(52)35(25(17-46)57-39)58-38-32(50)30(48)24(16-45)56-38/h12-13,19-39,45-52H,6-11,14-18H2,1-5H3/t19-,20+,21+,22+,23+,24+,25-,26-,27-,28+,29+,30+,31-,32-,33-,34+,35-,36-,37+,38+,39-,40+,41-,42-,43-,44-/m1/s1 > O([C@H]1[C@@H]([C@H]([C@@H](O[C@@H]1CO)O[C@H]1CC[C@]2([C@]3(C1)C=C[C@]1([C@@]2(CC[C@]2([C@]1(C[C@H]1[C@@H]2[C@H](C)[C@]2(OC[C@@H](CC2)C)O1)[H])C)[H])OO3)C)O[C@@H]1O[C@H]([C@@H]([C@H]([C@H]1O)O)O)C)O)[C@H]1[C@H](O)[C@@H](O)[C@H](CO)O1 > - > - > - > - > - > - > 162961805 > - > - > - > - > - > 221260 > 34896125 $$$$