LMST01080102 LIPID_MAPS_STRUCTURE_DATABASE 54 62 0 0 0 999 V2000 7.4798 8.2741 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.4798 7.3052 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 8.3191 6.8203 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 9.9975 6.8203 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 10.8370 7.3052 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 10.8370 8.2741 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 9.9975 8.7590 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 9.1582 8.2741 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 9.9975 9.7279 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 10.8370 10.2125 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 11.6760 9.7279 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 11.6760 8.7590 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 13.3548 8.7590 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 13.3548 9.7279 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 12.5155 10.2125 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 11.6760 10.4792 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 9.1582 8.9530 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.7326 6.8850 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 11.6760 8.0068 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 14.1943 10.2125 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 12.5155 11.1819 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 11.9553 11.7420 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 14.7652 12.1766 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 14.1852 11.1719 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 15.3006 11.4907 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 16.4229 11.1965 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 15.8875 11.8826 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 17.0031 12.2012 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 17.9393 11.9503 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 9.1582 7.3052 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 8.3191 8.7590 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 10.0171 5.8392 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 11.5290 6.7594 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 5.5730 5.2538 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 3.5802 5.4424 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 2.7513 7.2593 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 5.3195 7.8895 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 2.9141 8.8050 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 5.7383 6.9778 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.1586 6.1622 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.1598 6.2581 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.7456 7.1665 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.3253 7.9821 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.9109 8.8906 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.3808 4.3951 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 7.5411 2.3998 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 5.8958 1.2681 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 4.8292 3.6877 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 5.6543 4.2585 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.5581 3.8292 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.6372 2.8290 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.8145 2.2633 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.9106 2.6926 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.0879 2.1267 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 31 1 1 0 0 0 0 1 2 1 0 0 0 0 2 3 1 0 0 0 0 3 30 1 0 0 0 0 30 4 1 0 0 0 0 4 5 2 0 0 0 0 5 6 1 0 0 0 0 6 7 1 0 0 0 0 7 9 2 0 0 0 0 9 10 1 0 0 0 0 10 11 1 0 0 0 0 11 12 1 0 0 0 0 12 13 1 0 0 0 0 13 14 1 0 0 0 0 14 15 1 0 0 0 0 31 8 1 0 0 0 0 30 8 1 0 0 0 0 7 8 1 0 0 0 0 6 12 1 0 0 0 0 11 15 1 0 0 0 0 11 16 1 1 0 0 0 8 17 1 1 0 0 0 2 18 1 1 0 0 0 12 19 1 6 0 0 0 14 20 1 1 0 0 0 15 21 1 1 0 0 0 21 22 1 6 0 0 0 24 23 1 6 0 0 0 24 25 1 1 0 0 0 25 26 1 0 0 0 0 28 27 1 0 0 0 0 27 23 1 0 0 0 0 21 24 1 0 0 0 0 24 20 1 0 0 0 0 28 26 1 1 0 0 0 28 29 1 0 0 0 0 30 32 1 6 0 0 6 33 1 6 0 0 32 33 1 0 0 0 38 44 1 0 0 0 43 37 1 0 0 0 37 39 1 0 0 0 39 40 1 0 0 0 40 41 1 0 0 0 41 42 1 0 0 0 42 43 1 0 0 0 43 44 1 1 0 0 39 18 1 1 0 0 40 34 1 6 0 0 41 35 1 1 0 0 42 36 1 6 0 0 53 48 1 0 0 0 48 49 1 0 0 0 49 50 1 0 0 0 50 51 1 0 0 0 51 52 1 0 0 0 52 53 1 0 0 0 53 54 1 6 0 0 49 34 1 1 0 0 50 45 1 6 0 0 51 46 1 6 0 0 52 47 1 1 0 0 M END > LMST01080102 > Parisvanioside A > (25R)-spirost-6,11-diene-3beta-ol-5alpha,8alpha-epidioxy-3-O-alpha-l-rhamnopyranosyl-(1 -2)- beta-D-glucopyranoside > C39H58O14 > 750.38 > Sterol Lipids [ST] > Sterols [ST01] > Spirostanols and derivatives [ST0108] > - > > KGYWHCXOHCJLOI-CSQNHHEASA-N > InChI=1S/C39H58O14/c1-18-6-11-39(46-17-18)19(2)26-22(51-39)14-25-35(26,4)9-8-24-36(5)10-7-21(15-37(36)12-13-38(24,25)53-52-37)48-34-32(30(44)28(42)23(16-40)49-34)50-33-31(45)29(43)27(41)20(3)47-33/h8,12-13,18-23,25-34,40-45H,6-7,9-11,14-17H2,1-5H3/t18-,19+,20+,21+,22+,23-,25-,26+,27+,28-,29-,30+,31-,32-,33+,34-,35+,36-,37-,38-,39-/m1/s1 > C1[C@H](O[C@H]2[C@H](O[C@H]3[C@H](O)[C@H](O)[C@@H](O)[C@H](C)O3)[C@@H](O)[C@H](O)[C@@H](CO)O2)C[C@@]23OO[C@]4([C@]5([H])C[C@@H]6O[C@@]7([C@@H](C)[C@@H]6[C@@]5(C)CC=C4[C@@]2(C)C1)CC[C@@H](C)CO7)C=C3 > - > - > - > - > - > - > 171120932 > - > - > - > - > - > 374967 > 34896125 $$$$