LMST01160020 LIPID_MAPS_STRUCTURE_DATABASE 38 43 0 0 0 0 0 0 0 0999 V2000 9.0293 -10.9860 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 8.1436 -11.5223 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 13.9531 -6.4794 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 8.1436 -7.4369 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 12.6558 -4.4559 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 12.3103 -2.7517 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 10.7685 -8.9777 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 9.0295 -9.9816 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 9.8989 -8.4757 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 9.0295 -8.9777 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 11.6820 -8.4687 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 11.6900 -7.4230 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 9.8989 -10.4836 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 10.7685 -9.9816 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 12.6820 -7.1120 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 9.8828 -7.4300 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 10.7844 -6.9001 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 12.6691 -8.7950 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 13.2859 -7.9582 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 8.1321 -10.5183 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 9.0295 -7.9737 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 8.1321 -8.4409 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 11.6978 -6.4192 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 13.0013 -6.1601 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.2224 -10.0025 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.2224 -8.9568 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 13.3205 -5.2083 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 12.0494 -5.8409 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 14.3045 -5.0089 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 14.6236 -4.0570 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 12.9751 -3.5041 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 13.9589 -3.3046 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 15.6077 -3.8575 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 14.2782 -2.3527 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 9.9075 -9.1967 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 11.7625 -9.3184 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 13.5260 -6.9861 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 10.7685 -7.9747 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 8 1 1 1 0 0 0 20 2 1 1 0 0 0 24 3 1 1 0 0 0 4 22 2 0 0 0 0 5 31 1 0 0 0 0 6 31 2 0 0 0 0 7 9 1 0 0 0 0 7 11 1 0 0 0 0 7 14 1 0 0 0 0 8 10 1 0 0 0 0 8 13 1 0 0 0 0 8 20 1 0 0 0 0 9 10 1 0 0 0 0 9 16 1 0 0 0 0 9 35 1 6 0 0 0 10 21 1 1 0 0 0 10 22 1 0 0 0 0 11 12 1 0 0 0 0 11 18 1 0 0 0 0 11 36 1 6 0 0 0 12 15 1 0 0 0 0 12 17 1 0 0 0 0 12 23 1 1 0 0 0 13 14 1 0 0 0 0 15 19 1 0 0 0 0 15 24 1 0 0 0 0 15 37 1 6 0 0 0 16 17 1 0 0 0 0 18 19 1 0 0 0 0 20 25 1 0 0 0 0 22 26 1 0 0 0 0 24 27 1 0 0 0 0 24 28 1 0 0 0 0 25 26 2 0 0 0 0 27 29 1 0 0 0 0 29 30 1 0 0 0 0 30 32 2 0 0 0 0 30 33 1 0 0 0 0 31 32 1 0 0 0 0 32 34 1 0 0 0 0 7 38 1 1 0 0 27 5 1 6 0 0 0 13 1 1 1 0 0 0 M END > LMST01160020 > Withanolide D > 5beta,6beta-Epoxy-4beta,20R-dihydroxy1-oxo-witha-2,24-dienolide > C28H38O6 > 470.27 > Sterol Lipids [ST] > Sterols [ST01] > Withanolides and derivatives [ST0116] > - > withanolide; AC1L4PUZ;5beta,6beta-Epoxy-4,20,22-trihydroxy-1-oxoergosta-2,24-dien-26-oic acid delta-lactone > SASUFNRGCZMRFD-JCUIILOWSA-N > InChI=1S/C28H38O6/c1-14-12-22(33-24(31)15(14)2)27(5,32)19-7-6-17-16-13-23-28(34-23)21(30)9-8-20(29)26(28,4)18(16)10-11-25(17,19)3/h8-9,16-19,21-23,30,32H,6-7,10-13H2,1-5H3/t16-,17-,18-,19-,21-,22+,23+,25-,26-,27+,28+/m0/s1 > O1[C@@H]2C[C@@]3([H])[C@]4([H])CC[C@]([H])([C@](C)([C@@H]5OC(C(C)=C(C)C5)=O)O)[C@@]4(C)CC[C@]3([H])[C@]3(C(C=C[C@@H]([C@]132)O)=O)C > C08842 > - > 10041 > ST 28:6;O6 > - > - > 161671 > - > - > - > - > - > 126910 > 1125091 $$$$