LMST01160038 LIPID_MAPS_STRUCTURE_DATABASE 42 47 0 0 0 999 V2000 9.5649 7.5657 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 9.5594 9.6239 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 8.6683 9.1042 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 8.6774 8.0758 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 10.4599 9.1145 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 10.4563 8.0850 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 12.2383 8.0788 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 12.2420 9.1082 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 11.3527 9.6294 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 9.5649 8.4221 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 10.4599 10.0328 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 11.3416 10.6304 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 12.2282 11.1337 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 11.3416 11.4075 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 10.4563 7.3155 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 7.7919 7.5657 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.7919 6.5420 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 8.6774 6.0319 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 9.5649 6.5420 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.9118 8.0737 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.0319 7.5657 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.0319 6.5497 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.9118 6.0416 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.7919 8.3813 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 10.5571 11.1235 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 8.6774 7.2784 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 13.1598 10.5809 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 14.1043 11.1337 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 14.1043 12.2166 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 13.1598 12.7694 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 12.2282 12.2166 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 14.7855 10.7078 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 14.8872 12.6638 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.9118 9.0689 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 12.9397 7.3727 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 12.6787 6.4123 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 13.3800 5.7060 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 11.7165 6.1580 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 6.8760 6.7008 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 6.8917 7.5671 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 8.6769 5.0319 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 13.1568 13.7694 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1 4 1 0 0 0 0 1 6 1 0 0 0 0 5 2 1 0 0 0 0 2 3 1 0 0 0 0 3 4 1 0 0 0 0 5 6 1 0 0 0 0 7 8 1 0 0 0 0 8 9 2 0 0 0 0 9 5 1 0 0 0 0 6 7 1 0 0 0 0 1 10 1 1 0 0 0 5 11 1 1 0 0 0 9 12 1 0 0 0 0 12 13 1 0 0 0 0 12 14 1 1 0 0 0 6 15 1 1 0 0 0 4 16 1 0 0 0 0 16 17 1 0 0 0 0 17 18 1 0 0 0 0 18 19 1 0 0 0 0 19 1 1 0 0 0 0 16 20 1 0 0 0 0 20 21 1 0 0 0 0 21 22 1 0 0 0 0 22 23 2 0 0 0 0 23 17 1 0 0 0 0 16 24 1 1 0 0 0 12 25 1 6 0 0 0 4 26 1 6 0 0 0 13 27 1 1 0 0 0 27 28 1 0 0 0 0 28 29 1 0 0 0 0 29 30 2 0 0 0 0 30 31 1 0 0 0 0 31 13 1 0 0 0 0 28 32 2 0 0 0 0 29 33 1 0 0 0 0 20 34 2 0 0 0 7 35 1 6 0 0 35 36 1 0 0 0 36 37 1 0 0 0 36 38 2 0 0 0 17 39 1 6 0 0 21 40 1 6 0 0 40 39 1 0 0 0 18 41 1 1 0 0 30 42 1 0 0 0 M END > LMST01160038 > Nicansteroidin C > 15alpha-acetoxy-6beta,14beta-dihydroxy-1-oxo-2alpha,5alpha-dioxy-witha3,16,24-trien-26,22-olide > C30H38O9 > 542.25 > Sterol Lipids [ST] > Sterols [ST01] > Withanolides and derivatives [ST0116] > - > > GRYHZOQPGFHYQF-BJTOZDDNSA-N > InChI=1S/C30H38O9/c1-14-11-22(37-26(34)15(14)2)16(3)19-13-24(36-17(4)31)30(35)20-12-23(32)29-10-8-21(38-39-29)25(33)28(29,6)18(20)7-9-27(19,30)5/h8,10,13,16,18,20-24,32,35H,7,9,11-12H2,1-6H3/t16-,18-,20+,21-,22+,23+,24-,27+,28-,29-,30+/m0/s1 > [C@]12(C[C@@H](O)[C@@]34OO[C@@H](C=C3)C(=O)[C@]4(C)[C@@]1([H])CC[C@]1(C)C([C@@](C)([H])[C@H]3CC(C)=C(C)C(=O)O3)=C[C@H](OC(=O)C)[C@]21O)[H] > - > - > - > ST 30:8;O9 > - > - > 164608736 > - > - > - > - > - > 304159 > 34549952 $$$$