LMST01160001 LIPID_MAPS_STRUCTURE_DATABASE 40 45 0 0 0 999 V2000 9.6555 8.1045 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 8.7433 9.6702 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 8.7525 8.6236 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 10.5662 9.6805 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 10.5625 8.6331 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 12.3794 9.6742 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 11.4745 10.2041 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 9.6555 8.9759 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 10.5662 10.6149 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 11.4634 11.2229 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 12.3655 11.7349 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 11.4634 12.0136 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 10.5625 7.8499 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 7.8514 8.1045 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.8514 7.0628 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 8.7525 6.5439 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 9.6555 7.0628 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.9559 8.6215 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.0606 8.1045 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.0606 7.0708 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.9559 6.5538 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.8514 8.9345 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 12.1184 10.5758 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 10.6652 11.7247 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 8.7525 7.8121 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 13.3133 11.1725 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 14.2743 11.7349 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 14.2743 12.8371 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 13.3133 13.3993 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 12.3655 12.8371 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 14.9674 11.3017 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 15.0710 13.2920 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.9442 9.2840 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 13.3131 14.1190 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 9.6738 6.0606 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 7.8801 6.3206 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 9.6498 10.1987 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 12.3758 8.6268 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 9.6498 11.2402 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 13.2777 8.1059 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 1 3 1 0 0 0 0 1 5 1 0 0 0 0 4 37 1 0 0 0 0 37 2 1 0 0 0 0 2 3 1 0 0 0 0 4 5 1 0 0 0 0 38 6 1 0 0 0 0 6 7 1 0 0 0 0 7 4 1 0 0 0 0 5 38 1 0 0 0 0 1 8 1 1 0 0 0 4 9 1 1 0 0 0 7 10 1 0 0 0 0 10 11 1 0 0 0 0 10 12 1 1 0 0 0 5 13 1 6 0 0 0 3 14 1 0 0 0 0 14 15 1 0 0 0 0 15 16 1 0 0 0 0 16 17 1 0 0 0 0 17 1 1 0 0 0 0 14 18 1 0 0 0 0 18 19 1 0 0 0 0 19 20 2 0 0 0 0 20 21 1 0 0 0 0 21 15 1 0 0 0 0 14 22 1 1 0 0 0 7 23 1 6 0 0 0 10 24 1 6 0 0 0 3 25 1 6 0 0 0 11 26 1 1 0 0 0 26 27 1 0 0 0 0 27 28 1 0 0 0 0 28 29 2 0 0 0 0 29 30 1 0 0 0 0 30 11 1 0 0 0 0 27 31 2 0 0 0 0 28 32 1 0 0 0 0 18 33 2 0 0 0 0 29 34 1 0 0 0 0 16 35 1 6 0 0 0 17 35 1 6 0 0 0 15 36 1 6 0 0 0 37 39 1 6 0 0 0 38 40 1 1 0 0 0 M END > LMST01160001 > 15beta-Hydroxynicandrin B > 1-oxo-5alpha,12alpha,15beta-trihydroxy-6alpha,7alpha-epoxy-witha-2,24-dienolide > C28H38O7 > 486.26 > Sterol Lipids [ST] > Sterols [ST01] > Withanolides and derivatives [ST0116] > - > 5alpha,12alpha,15beta-trihydroxy-6alpha,7alpha-epoxy-1-oxo-22R-witha-2,24-dienolide > PXNLYJYFBSKVBN-QXWXSVGDSA-N > InChI=1S/C28H38O7/c1-12-9-18(34-25(32)13(12)2)14(3)15-10-17(29)22-21-16(11-20(31)26(15,22)4)27(5)19(30)7-6-8-28(27,33)24-23(21)35-24/h6-7,14-18,20-24,29,31,33H,8-11H2,1-5H3/t14-,15+,16-,17+,18+,20-,21+,22-,23-,24-,26-,27-,28-/m0/s1 > [C@]12([C@@H]3O[C@@H]3[C@@]3(O)CC=CC(=O)[C@]3(C)[C@@]1([H])C[C@H](O)[C@]1(C)[C@@]([H])([C@@](C)([H])[C@H]3CC(C)=C(C)C(=O)O3)C[C@@H](O)[C@@]21[H])[H] > - > - > - > ST 28:6;O7 > - > - > 52931499 > - > - > - > - > - > 169103 > - $$$$