LMST01160011 LIPID_MAPS_STRUCTURE_DATABASE 40 45 0 0 0 999 V2000 9.6470 7.6307 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 9.6415 9.7066 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 8.7428 9.1824 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 8.7519 8.1451 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 10.5498 9.1928 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 10.5462 8.1545 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 12.3435 8.1483 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 12.3472 9.1865 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 11.4502 9.7121 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 9.6470 8.4945 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 10.5498 10.1190 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 11.4391 10.7217 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 12.3333 11.2294 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 11.4391 11.5055 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 10.5462 7.3783 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 7.8589 7.6307 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.8589 6.5982 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 8.7519 6.0837 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 9.6470 6.5982 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.9712 8.1430 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.0837 7.6307 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.0837 6.6060 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.9712 6.0935 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.8589 8.4533 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 12.0883 10.0805 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 10.6479 11.2191 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 8.7519 7.3409 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 6.9712 9.1468 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 13.2189 9.6842 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 7.8598 5.5676 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 6.9678 5.0935 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 13.1957 10.7232 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 14.1092 11.1299 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 14.7784 10.3867 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 14.2784 9.5207 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 12.3405 12.2294 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 13.2132 8.6865 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 14.7107 8.6190 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 15.7729 10.4913 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 14.3171 12.1080 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1 4 1 0 0 0 1 6 1 0 0 0 5 2 1 0 0 0 2 3 1 0 0 0 3 4 1 0 0 0 5 6 1 0 0 0 7 8 1 0 0 0 8 9 1 0 0 0 9 5 1 0 0 0 6 7 1 0 0 0 1 10 1 1 0 0 5 11 1 1 0 0 9 12 1 0 0 0 12 13 1 0 0 0 12 14 1 1 0 0 6 15 1 6 0 0 4 16 1 0 0 0 16 17 1 0 0 0 17 18 1 0 0 0 18 19 1 0 0 0 19 1 1 0 0 0 16 20 1 0 0 0 20 21 1 0 0 0 21 22 2 0 0 0 22 23 1 0 0 0 23 17 1 0 0 0 16 24 1 1 0 0 9 25 1 6 0 0 12 26 1 6 0 0 4 27 1 6 0 0 20 28 2 0 0 0 17 30 1 1 0 0 18 30 1 1 0 0 23 31 1 1 0 0 13 32 1 0 0 0 32 33 1 0 0 0 33 34 1 0 0 0 34 35 1 0 0 0 35 29 1 0 0 0 13 36 1 6 0 0 8 37 1 1 0 0 35 38 2 0 0 0 34 39 1 1 0 0 33 40 1 6 0 0 32 29 1 1 0 0 M END > LMST01160011 > Ixocarpalactone A > (1S,2R,6S,7R,9R,11S,12S,14S,15R,16S)-15-[(1R,2R)-1-[(2R,3R,4R)-3,4-Dimethyl-5-oxooxolan-2-yl]-1,2-dihydroxypropan-2-yl]-6,14-dihydroxy-2,16-dimethyl-8-oxapentacyclo[9.7.0.02,7.07,9.012,16]octadec-4-en-3-one > C28H40O8 > 504.27 > Sterol Lipids [ST] > Sterols [ST01] > Withanolides and derivatives [ST0116] > - > > PHBPDHFIJFLEGD-QXYLURSYSA-N > InChI=1S/C28H40O8/c1-12-13(2)24(33)35-21(12)23(32)27(5,34)22-17(29)11-16-14-10-20-28(36-20)19(31)7-6-18(30)26(28,4)15(14)8-9-25(16,22)3/h6-7,12-17,19-23,29,31-32,34H,8-11H2,1-5H3/t12-,13-,14-,15+,16+,17+,19+,20-,21-,22+,23-,25+,26+,27-,28-/m1/s1 > [C@]12(C[C@H]3O[C@@]43[C@@H](O)C=CC(=O)[C@]4(C)[C@@]1([H])CC[C@]1(C)[C@@]([H])([C@@](C)(O)[C@H](O)[C@@H]3OC(=O)[C@H](C)[C@H]3C)[C@@H](O)C[C@@]21[H])[H] > - > HMDB0034393 > - > ST 28:5;O8 > - > - > 101316966 > - > - > - > - > - > 374031 > - $$$$