LMST01160022 LIPID_MAPS_STRUCTURE_DATABASE 42 47 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 H 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 13.2728 10.6718 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 14.2254 11.2294 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 14.2254 12.3216 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 13.2728 12.8791 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 12.3333 12.3216 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 14.9126 10.7998 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 15.0151 12.7726 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 13.2984 13.6181 0.0000 C 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 14.0858 9.1780 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 14.9576 9.6756 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 14.0808 8.1742 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 14.1408 13.2152 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 10.5160 6.0954 0.0000 O 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 2 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 13 28 1 1 0 0 28 29 1 0 0 0 29 30 1 0 0 0 30 31 1 0 0 0 31 32 1 0 0 0 32 13 1 0 0 0 29 33 2 0 0 0 30 34 1 0 0 0 31 35 1 0 0 0 20 36 2 0 0 0 8 37 1 6 0 0 37 38 1 0 0 0 38 39 1 0 0 0 38 40 2 0 0 0 31 41 1 6 0 0 30 41 1 6 0 0 19 42 1 6 0 0 M END > LMST01160022 > Exodeconolide E > 16alpha-acetoxy-7alpha-hydroxy-24,25-epoxy-1-oxowitha-2,5-dien-26,22-olide > C30H40O7 > 512.28 > Sterol Lipids [ST] > Sterols [ST01] > Withanolides and derivatives [ST0116] > - > > XSCVNOMBPPHGJM-UKNYXUSTSA-N > InChI=1S/C30H40O7/c1-15(22-14-28(4)30(6,37-28)26(34)36-22)25-21(35-16(2)31)13-19-24-18(10-11-27(19,25)3)29(5)17(12-20(24)32)8-7-9-23(29)33/h7,9,12,15,18-22,24-25,32H,8,10-11,13-14H2,1-6H3/t15-,18+,19+,20-,21-,22-,24-,25+,27+,28+,29+,30-/m1/s1 > [C@]12([C@H](O)C=C3CC=CC(=O)[C@]3(C)[C@@]1([H])CC[C@]1(C)[C@@]([H])([C@@](C)([H])[C@H]3C[C@@]4(O[C@]4(C)C(=O)O3)C)[C@H](OC(=O)C)C[C@@]21[H])[H] > - > - > - > ST 30:7;O7 > - > - > 171120157 > - > - > - > - > - > 310459 > 32712169 $$$$