LMST01070035 LIPID_MAPS_STRUCTURE_DATABASE 56 63 0 0 0 999 V2000 2.2063 1.5350 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.1274 1.9551 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.9544 1.3674 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.8753 1.7875 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.9725 2.8000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.1457 3.3879 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.2931 0.5244 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 3.2213 2.9631 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 3.8603 0.3594 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 5.7023 1.1997 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 5.8935 3.2201 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 2.2395 7.9223 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.7384 7.0413 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.2249 6.1663 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.7236 5.2853 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.7408 5.2769 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.2543 6.1519 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.2403 7.7477 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 3.7507 7.0356 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 1.2125 6.1721 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 2.2102 4.4102 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 4.2397 4.3959 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 5.2668 6.1459 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 7.8465 5.9102 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 10.7918 11.0703 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 13.0482 10.4964 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 13.0410 9.6270 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 11.3659 10.4964 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 8.7408 7.4787 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 7.8717 8.4186 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.0082 6.1545 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.1447 6.6529 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.1447 7.6498 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.0082 8.1484 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 9.6117 6.6452 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 8.7408 6.1447 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.8717 6.6452 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.8717 7.6498 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 10.4863 7.4000 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 10.4899 10.0178 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 9.6117 8.4617 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 11.3659 9.6749 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 12.2385 9.1636 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 12.2350 8.1533 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 10.4863 8.1596 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 10.4899 9.1697 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 8.7408 8.1504 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 8.7319 9.1597 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 9.6063 9.6695 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 9.6117 7.6498 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 13.8088 10.8034 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 14.9489 10.4464 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 15.4117 11.3495 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 14.5946 11.0401 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 13.5085 11.4018 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 16.1904 10.9366 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3 9 1 6 0 0 4 10 1 1 0 0 5 11 1 6 0 0 6 22 1 1 0 0 2 1 1 1 0 0 3 2 1 0 0 0 4 3 1 0 0 0 5 4 1 0 0 0 6 5 1 0 0 0 8 6 1 0 0 0 2 8 1 0 0 0 7 1 1 0 0 0 14 20 1 6 0 0 15 21 1 1 0 0 16 22 1 6 0 0 17 23 1 1 0 0 13 12 1 1 0 0 14 13 1 0 0 0 15 14 1 0 0 0 16 15 1 0 0 0 17 16 1 0 0 0 19 17 1 0 0 0 13 19 1 0 0 0 18 12 1 0 0 0 32 23 1 1 0 0 37 24 1 1 0 0 28 25 1 6 0 0 0 26 27 1 0 0 0 0 28 26 1 0 0 0 0 43 27 1 1 0 0 0 42 28 1 1 0 0 0 47 29 1 6 0 0 0 38 30 1 1 0 0 0 31 37 1 0 0 0 0 32 31 1 0 0 0 0 33 32 1 0 0 0 0 34 33 1 0 0 0 0 38 34 1 0 0 0 0 35 50 1 0 0 0 0 36 35 1 0 0 0 0 37 36 1 0 0 0 0 38 37 1 0 0 0 0 47 38 1 0 0 0 0 45 39 1 6 0 0 0 46 40 1 1 0 0 0 50 41 1 1 0 0 0 45 44 1 0 0 0 0 42 46 1 0 0 0 0 43 42 1 0 0 0 0 44 43 1 0 0 0 0 46 45 1 0 0 0 0 48 47 1 0 0 0 0 49 48 1 0 0 0 0 46 49 1 0 0 0 0 50 45 1 0 0 0 0 50 47 1 0 0 0 0 26 51 1 1 0 0 51 52 1 0 0 0 52 53 1 0 0 0 53 54 1 0 0 0 54 55 1 0 0 0 55 26 1 0 0 0 53 56 1 1 0 0 M END > LMST01070035 > Asparanin A > 3-O-{[beta-d-glucopyranosyl(1-2)]-beta-d-glucopyranosyl}-(25S)-5beta-spirostan-3beta-ol > C39H64O13 > 740.43 > Sterol Lipids [ST] > Sterols [ST01] > Furostanols and derivatives [ST0107] > - > > MMTWXUQMLQGAPC-XIBAMJMMSA-N > InChI=1S/C39H64O13/c1-18-7-12-39(47-17-18)19(2)28-25(52-39)14-24-22-6-5-20-13-21(8-10-37(20,3)23(22)9-11-38(24,28)4)48-36-34(32(45)30(43)27(16-41)50-36)51-35-33(46)31(44)29(42)26(15-40)49-35/h18-36,40-46H,5-17H2,1-4H3/t18-,19-,20+,21-,22+,23-,24-,25-,26+,27+,28-,29+,30+,31-,32-,33+,34+,35-,36+,37-,38-,39+/m0/s1 > C(O)[C@H]1O[C@H]([C@@H]([C@H]([C@@H]1O)O)O)O[C@H]1[C@@H](O[C@@H]([C@H]([C@@H]1O)O)CO)O[C@H]1CC[C@@]2([C@@]3([C@@]([C@]4([C@](CC3)([C@@H]3[C@H](C4)O[C@@]4(OC[C@@H](C)CC4)[C@H]3C)C)[H])([H])CC[C@@]2(C1)[H])[H])C > - > - > - > - > - > - > 21575007 > - > - > - > - > - > 272846 > 17936315 $$$$