LMST01160058 LIPID_MAPS_STRUCTURE_DATABASE 42 47 0 0 0 999 V2000 5.6889 -6.4692 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.5609 -6.9727 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.5609 -7.9796 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.6889 -8.4830 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.8169 -7.9796 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.8169 -6.9727 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.4329 -6.4692 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 8.3049 -6.9726 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 8.3049 -7.9796 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.4329 -8.4830 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.4328 -5.4622 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 8.3048 -4.9588 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 9.1769 -5.4622 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 9.1769 -6.4691 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 10.0488 -4.9587 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 10.9209 -5.4621 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 10.9210 -6.4690 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 10.0488 -3.9518 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 10.9208 -3.4483 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 9.1768 -3.4484 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.5983 -5.9445 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 9.2646 -4.4592 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 8.3928 -6.2969 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 7.4078 -7.1992 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 10.1365 -2.9488 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 10.9208 -2.4414 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 11.7927 -1.9379 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 12.6649 -2.4414 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 12.6648 -3.4483 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 11.7927 -3.9517 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 11.0404 -4.7838 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 11.7927 -0.9311 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 13.5368 -1.9379 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 13.5368 -3.9517 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 5.6889 -5.4623 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 10.9589 -4.2248 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 9.1769 -7.2243 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 6.5609 -8.9865 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 8.1436 -3.1232 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 8.9149 -2.4760 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 7.1974 -2.7789 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 8.3185 -4.1148 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 1 2 1 0 0 0 2 3 1 0 0 0 3 4 1 0 0 0 4 5 1 0 0 0 5 6 2 0 0 0 6 1 1 0 0 0 2 7 1 0 0 0 7 8 1 0 0 0 8 9 1 0 0 0 9 10 1 0 0 0 10 3 1 0 0 0 7 11 1 0 0 0 11 12 1 0 0 0 12 13 1 0 0 0 13 14 1 0 0 0 14 8 1 0 0 0 13 15 1 0 0 0 15 16 1 0 0 0 16 17 1 0 0 0 14 17 1 0 0 0 15 18 1 0 0 0 18 19 1 0 0 0 18 20 1 6 0 0 2 21 1 1 0 0 13 22 1 1 0 0 8 23 1 1 0 0 7 24 1 6 0 0 18 25 1 1 0 0 19 26 1 0 0 0 26 27 1 0 0 0 27 28 2 0 0 0 28 29 1 0 0 0 29 30 1 0 0 0 30 19 1 0 0 0 15 31 1 1 0 0 27 32 1 0 0 0 28 33 1 0 0 0 29 34 2 0 0 0 1 35 2 0 0 0 19 36 1 6 0 0 14 37 1 6 0 0 3 38 1 1 0 0 10 38 1 1 0 0 39 40 2 0 0 0 39 41 1 0 0 0 22 42 1 0 0 0 42 39 1 0 0 0 M END > LMST01160058 > Physachenolide C > 1-oxo-5beta,6beta-epoxy--18-acetoxy-14alpha,17beta,20S-trihydroxy-witha-1,24-dienolide > C30H40O9 > 544.27 > Sterol Lipids [ST] > Sterols [ST01] > Withanolides and derivatives [ST0116] > - > > GKMMNQCWGZRQTN-XVRWHRFDSA-N > InChI=1S/C30H40O9/c1-16-13-22(38-24(33)17(16)2)26(5,34)30(36)12-11-28(35)20-14-23-29(39-23)9-6-7-21(32)25(29,4)19(20)8-10-27(28,30)15-37-18(3)31/h6-7,19-20,22-23,34-36H,8-15H2,1-5H3/t19-,20+,22+,23+,25-,26-,27+,28+,29+,30+/m0/s1 > C1(=O)C=CC[C@@]23O[C@@H]2C[C@@]2([H])[C@]4(O)CC[C@@](O)([C@](O)(C)[C@]5([H])OC(=O)C(C)=C(C)C5)[C@@]4(COC(C)=O)CC[C@]2([H])[C@@]13C > - > - > - > ST 30:7;O9 > - > - > 122186568 > - > - > - > - > - > 304141 > 14765295 $$$$