LMST01160047 LIPID_MAPS_STRUCTURE_DATABASE 42 46 0 0 0 999 V2000 9.4881 7.5049 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 9.4826 9.5466 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 8.5987 9.0311 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 8.6077 8.0109 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 10.3758 9.0412 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 10.3722 8.0200 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 12.1399 8.0140 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 12.1436 9.0349 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 11.2615 9.5520 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 9.4881 8.3544 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 10.3758 9.9522 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 11.2504 10.5450 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 12.1299 11.0442 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 11.2504 11.3158 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 10.3722 7.2567 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 7.7292 7.5049 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.7292 6.4894 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 8.6077 5.9833 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 9.4881 6.4894 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.8562 8.0088 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.9833 7.5049 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.9833 6.4971 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.8562 5.9930 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.7292 8.3140 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 10.4722 11.0341 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 8.6077 7.2200 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 13.0540 10.4958 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 13.9910 11.0442 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 13.9910 12.1184 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 13.0540 12.6668 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 12.1299 12.1184 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 14.6666 10.6217 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 14.7676 12.5620 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.8562 8.9960 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 12.8358 7.3134 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 12.5768 6.3608 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 13.2724 5.6602 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 11.6223 6.1085 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 13.0510 13.6587 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 12.1613 9.9716 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 7.7302 5.4757 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 8.6205 4.9872 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 > LMST01160047 > Physagulin J > 15alpha-acetoxy-5alpha,6beta,14beta,trihydroxy-1-oxo-witha2,24-dien-26,22-olide > C30H42O8 > 530.29 > Sterol Lipids [ST] > Sterols [ST01] > Withanolides and derivatives [ST0116] > - > > LPLXJRLTDNXTSA-LYDDYJSBSA-N > InChI=1S/C30H42O8/c1-15-12-22(38-26(34)16(15)2)17(3)20-14-25(37-18(4)31)30(36)21-13-24(33)29(35)10-7-8-23(32)28(29,6)19(21)9-11-27(20,30)5/h7-8,17,19-22,24-25,33,35-36H,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(O)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] > - > - > - > ST 30:6;O8 > - > - > 42610742 > - > - > - > - > - > 304159 > 34549952 $$$$