LMST01160048 LIPID_MAPS_STRUCTURE_DATABASE 42 46 0 0 0 999 V2000 9.4917 7.5078 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 9.4862 9.5502 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 8.6020 9.0345 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 8.6110 8.0139 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 10.3798 9.0446 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 10.3762 8.0230 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 12.1446 8.0170 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 12.1483 9.0383 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 11.2659 9.5556 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 9.4917 8.3576 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 10.3798 9.9560 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 11.2548 10.5491 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 12.1346 11.0485 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 11.2548 11.3202 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 10.3762 7.2595 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 7.7321 7.5078 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.7321 6.4919 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 8.6110 5.9856 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 9.4917 6.4919 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.8588 8.0118 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.9856 7.5078 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.9856 6.4996 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.8588 5.9953 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.7321 8.3172 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 10.4763 11.0384 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 8.6110 7.2227 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 13.0591 10.4999 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 13.9964 11.0485 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 13.9964 12.1231 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 13.0591 12.6717 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 12.1346 12.1231 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 14.6723 10.6258 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 14.7733 12.5669 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.8588 8.9994 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 12.8408 7.3162 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 12.5817 6.3632 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 13.2775 5.6624 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 11.6268 6.1108 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 13.0561 13.6640 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 12.1660 9.9754 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 7.7331 5.4778 0.0000 Cl 0 0 0 0 0 0 0 0 0 0 0 0 8.6238 4.9891 0.0000 O 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 1 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 2 0 0 0 0 22 23 1 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 30 39 1 0 0 0 9 40 1 6 0 0 17 41 1 6 0 0 18 42 1 1 0 0 M END > LMST01160048 > > 15alpha-acetoxy-5alpha-chloro-6beta,14beta,dihydroxy-1-oxo-witha2,24-dien-26,22-olide > C30H41O7Cl > 548.25 > Sterol Lipids [ST] > Sterols [ST01] > Withanolides and derivatives [ST0116] > - > > JTYDVLMHUDHXKR-LYDDYJSBSA-N > InChI=1S/C30H41ClO7/c1-15-12-22(38-26(35)16(15)2)17(3)20-14-25(37-18(4)32)30(36)21-13-24(34)29(31)10-7-8-23(33)28(29,6)19(21)9-11-27(20,30)5/h7-8,17,19-22,24-25,34,36H,9-14H2,1-6H3/t17-,19-,20+,21+,22+,24+,25-,27+,28-,29-,30+/m0/s1 > [C@]12(C[C@@H](O)[C@@]3(Cl)CC=CC(=O)[C@]3(C)[C@@]1([H])CC[C@]1(C)[C@@]([H])([C@@](C)([H])[C@H]3CC(C)=C(C)C(=O)O3)C[C@H](OC(=O)C)[C@]21O)[H] > - > - > - > - > - > - > 102034179 > - > - > - > - > - > 304159 > 34549952 $$$$