LMST01160045 LIPID_MAPS_STRUCTURE_DATABASE 40 45 0 0 0 999 V2000 9.4894 7.5059 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 9.4839 9.5479 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 8.5998 9.0322 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 8.6088 8.0120 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 10.3771 9.0424 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 10.3735 8.0211 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 12.1415 8.0151 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 12.1452 9.0361 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 11.2630 9.5533 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 9.4894 8.3556 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 10.3771 9.9535 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 11.2519 10.5464 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 12.1315 11.0456 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 11.2519 11.3173 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 10.3735 7.2576 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 7.7303 7.5059 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.7303 6.4903 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 8.6088 5.9841 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 9.4894 6.4903 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.8571 8.0098 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.9841 7.5059 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.9841 6.4980 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.8571 5.9938 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.7303 8.3151 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 10.4736 11.0355 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 8.6088 7.2209 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 13.0558 10.4972 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 13.9929 11.0456 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 13.9929 12.1200 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 13.0558 12.6686 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 12.1315 12.1200 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 14.6686 10.6231 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 14.7696 12.5637 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.8571 8.9972 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 12.8376 7.3143 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 12.5786 6.3617 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 13.2743 5.6610 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 11.6238 6.1093 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 13.0528 13.6606 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.7312 5.4764 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 2 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 6 0 0 0 4 16 1 0 0 0 0 16 17 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 17 18 1 0 0 0 0 17 40 1 1 0 0 18 40 1 1 0 0 M END > LMST01160045 > Physagulin A > 15alpha-acetoxy-5beta,6beta-epoxy,14alpha-hydroxy-1-oxo-witha2,16,24-trien-26,22-olide > C30H38O7 > 510.26 > Sterol Lipids [ST] > Sterols [ST01] > Withanolides and derivatives [ST0116] > - > > GPTVOZHQPZXWDW-SOSCMSTKSA-N > InChI=1S/C30H38O7/c1-15-12-22(36-26(33)16(15)2)17(3)20-13-25(35-18(4)31)30(34)21-14-24-29(37-24)10-7-8-23(32)28(29,6)19(21)9-11-27(20,30)5/h7-8,13,17,19,21-22,24-25,34H,9-12,14H2,1-6H3/t17-,19-,21+,22+,24+,25-,27+,28-,29+,30-/m0/s1 > [C@]12(C[C@H]3O[C@@]43CC=CC(=O)[C@]4(C)[C@@]1([H])CC[C@]1(C)C([C@@](C)([H])[C@H]3CC(C)=C(C)C(=O)O3)=C[C@H](OC(=O)C)[C@@]21O)[H] > - > - > - > ST 30:8;O7 > - > - > 10324077 > - > - > - > - > - > 113208 > - $$$$