LMST01031065 LIPID_MAPS_STRUCTURE_DATABASE 41 44 0 0 0 999 V2000 8.5454 10.5074 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.5795 9.9498 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.5795 8.8350 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 8.5454 8.2774 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 9.5111 8.8350 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 10.4766 8.2774 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 11.4424 8.8350 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 11.4424 9.9498 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 10.4766 10.5074 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 9.5111 9.9498 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 10.4766 11.6223 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 11.4424 12.1799 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 12.4078 11.6223 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 12.4078 10.5074 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 14.3392 10.5074 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 14.3392 11.6223 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 13.3735 12.1799 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 12.4078 12.4867 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 9.5111 10.7305 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 13.3735 13.0720 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 12.4655 13.3153 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 14.1460 13.5179 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 14.9183 13.0720 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 16.4633 13.0720 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 17.2363 13.5179 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 16.4633 12.3188 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 11.4424 10.8977 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 12.4078 9.6423 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 13.9987 12.5410 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 13.3735 14.0230 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 10.4766 9.6607 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 15.6908 14.4097 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.7327 8.3460 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 9.5111 7.9882 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 14.1460 14.3647 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 10.4766 7.4306 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 11.0199 6.8732 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 10.4766 6.3157 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 15.6908 13.5179 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 16.6564 14.0754 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 11.7968 6.9155 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 1 2 1 0 0 0 0 2 3 1 0 0 0 0 3 4 1 0 0 0 0 4 5 1 0 0 0 0 5 6 1 0 0 0 0 6 7 1 0 0 0 0 7 8 1 0 0 0 0 8 9 1 0 0 0 0 9 11 1 0 0 0 0 11 12 1 0 0 0 0 12 13 1 0 0 0 0 13 14 1 0 0 0 0 14 15 1 0 0 0 0 15 16 1 0 0 0 0 16 17 1 0 0 0 0 17 20 1 0 0 0 0 20 22 1 0 0 0 0 22 23 1 0 0 0 0 23 39 1 0 0 0 0 39 24 1 0 0 0 0 24 25 1 0 0 0 0 24 26 1 0 0 0 0 1 10 1 0 0 0 0 5 10 1 0 0 0 0 9 10 1 0 0 0 0 8 14 1 0 0 0 0 13 17 1 0 0 0 0 13 18 1 1 0 0 0 10 19 1 1 0 0 0 20 21 1 6 0 0 0 8 27 1 1 0 0 0 14 28 1 6 0 0 0 17 29 1 6 0 0 0 20 30 1 1 0 0 0 9 31 1 6 0 0 0 39 32 1 0 0 0 0 3 33 1 1 0 0 0 5 34 1 6 0 0 0 6 36 1 1 0 0 0 22 35 1 6 0 0 0 36 37 1 0 0 0 0 37 41 2 0 0 0 0 37 38 1 0 0 0 0 39 40 1 0 0 0 0 M END > LMST01031065 > > 6beta-acetoxy-24-methylcholestan-3beta,5alpha,22R,24-tetrol > C30H52O6 > 508.38 > Sterol Lipids [ST] > Sterols [ST01] > Ergosterols and C24-methyl derivatives [ST0103] > - > > DSWIQYPNVUWDSX-HRVLZDRUSA-N > InChI=1S/C30H52O6/c1-17(2)29(7,34)16-25(33)18(3)22-8-9-23-21-14-26(36-19(4)31)30(35)15-20(32)10-13-28(30,6)24(21)11-12-27(22,23)5/h17-18,20-26,32-35H,8-16H2,1-7H3/t18-,20-,21-,22+,23-,24-,25+,26+,27+,28+,29?,30-/m0/s1 > C1[C@]2(C)[C@@]3([H])CC[C@]4(C)[C@@]([H])([C@]([H])(C)[C@H](O)CC(O)(C)C(C)C)CC[C@@]4([H])[C@]3([H])C[C@@H](OC(C)=O)[C@@]2(O)C[C@@H](O)C1 > - > - > 176867 > ST 30:1;O6 > - > - > 126048 > - > - > - > - > - > 205092 > - $$$$