LMST01070037 LIPID_MAPS_STRUCTURE_DATABASE 66 74 0 0 0 999 V2000 -0.2316 4.7087 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -2.1920 5.2340 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -2.7135 7.1904 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -0.0398 7.3864 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 0.2250 6.4042 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.4924 5.6869 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.4747 5.9514 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.7353 6.9296 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.0180 7.6470 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.2788 8.6251 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 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 16.0904 11.8866 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 9 4 1 0 0 0 4 5 1 0 0 0 5 6 1 0 0 0 6 7 1 0 0 0 7 8 1 0 0 0 8 9 1 0 0 0 9 10 1 6 0 0 6 1 1 6 0 0 7 2 1 6 0 0 8 3 1 1 0 0 13 19 1 6 0 0 14 20 1 1 0 0 15 21 1 6 0 0 16 32 1 1 0 0 12 11 1 1 0 0 13 12 1 0 0 0 14 13 1 0 0 0 15 14 1 0 0 0 16 15 1 0 0 0 18 16 1 0 0 0 12 18 1 0 0 0 17 11 1 0 0 0 24 30 1 6 0 0 25 31 1 1 0 0 26 32 1 6 0 0 27 33 1 1 0 0 23 22 1 1 0 0 24 23 1 0 0 0 25 24 1 0 0 0 26 25 1 0 0 0 27 26 1 0 0 0 29 27 1 0 0 0 23 29 1 0 0 0 28 22 1 0 0 0 42 33 1 1 0 0 47 34 1 1 0 0 38 35 1 6 0 0 0 36 37 1 0 0 0 0 38 36 1 0 0 0 0 53 37 1 1 0 0 0 52 38 1 1 0 0 0 57 39 1 6 0 0 0 48 40 1 1 0 0 0 41 47 1 0 0 0 0 42 41 1 0 0 0 0 43 42 1 0 0 0 0 44 43 1 0 0 0 0 48 44 1 0 0 0 0 45 60 1 0 0 0 0 46 45 1 0 0 0 0 47 46 1 0 0 0 0 48 47 1 0 0 0 0 57 48 1 0 0 0 0 55 49 1 6 0 0 0 56 50 1 1 0 0 0 60 51 1 1 0 0 0 55 54 1 0 0 0 0 52 56 1 0 0 0 0 53 52 1 0 0 0 0 54 53 1 0 0 0 0 56 55 1 0 0 0 0 58 57 1 0 0 0 0 59 58 1 0 0 0 0 56 59 1 0 0 0 0 60 55 1 0 0 0 0 60 57 1 0 0 0 0 5 30 1 1 0 0 36 61 1 1 0 0 61 62 1 0 0 0 62 63 1 0 0 0 63 64 1 0 0 0 64 65 1 0 0 0 65 36 1 0 0 0 63 66 2 0 0 0 M END > LMST01070037 > Shatavarin VII > 3-O-{[beta-d-glucopyranosyl(1-2)][alpha-l-rhamnopyranosyl(1-4)]-beta-d-glucopyranosyl}-5beta-spirost-25(27)-en-3beta-ol > C45H72O17 > 884.48 > Sterol Lipids [ST] > Sterols [ST01] > Furostanols and derivatives [ST0107] > - > > GTHFQEMYVCDXKR-CSZPLYFWSA-N > InChI=1S/C45H72O17/c1-19-8-13-45(55-18-19)20(2)30-27(62-45)15-26-24-7-6-22-14-23(9-11-43(22,4)25(24)10-12-44(26,30)5)57-42-39(61-41-36(53)34(51)32(49)28(16-46)58-41)37(54)38(29(17-47)59-42)60-40-35(52)33(50)31(48)21(3)56-40/h20-42,46-54H,1,6-18H2,2-5H3/t20-,21-,22+,23-,24+,25-,26-,27-,28+,29+,30-,31-,32+,33+,34-,35+,36+,37-,38+,39+,40-,41-,42+,43-,44-,45+/m0/s1 > O[C@@H]1[C@H](O)[C@@H](O)[C@H](C)O[C@H]1O[C@H]1[C@@H]([C@H]([C@@H](O[C@@H]1CO)O[C@H]1CC[C@@]2([C@@]3([C@@]([C@]4([C@](CC3)([C@@H]3[C@H](C4)O[C@@]4(OCC(=C)CC4)[C@H]3C)C)[H])([H])CC[C@@]2(C1)[H])[H])C)O[C@@H]1O[C@@H]([C@H]([C@@H]([C@H]1O)O)O)CO)O > - > - > - > - > - > - > 158359495 > - > - > - > - > - > 272846 > 17936315 $$$$