LMST05020036 LIPID_MAPS_STRUCTURE_DATABASE 50 53 0 0 0 999 V2000 13.2549 6.0606 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 12.7603 6.9236 0.0000 S 0 0 0 0 0 0 0 0 0 0 0 0 12.2601 6.0636 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 18.6482 11.8281 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 18.0788 12.7036 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 17.4185 11.9535 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.0923 9.7954 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 7.5971 8.9272 0.0000 S 0 0 0 0 0 0 0 0 0 0 0 0 8.0966 9.7984 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 7.4750 11.4442 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 8.4695 11.4260 0.0000 S 0 0 0 0 0 0 0 0 0 0 0 0 7.9881 12.2964 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 9.3281 9.9265 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 9.3281 8.9272 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 10.1906 8.4327 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 10.1906 10.4312 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 11.0532 9.9265 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 11.0489 8.9272 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 11.9073 8.4268 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 12.7756 8.9200 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 11.9158 10.4253 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 12.7800 9.9133 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 12.8006 11.9184 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 11.9224 11.4269 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 13.6647 11.4065 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 13.6484 10.4054 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 14.5956 10.0803 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 15.1974 10.8808 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 14.6220 11.7003 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 8.4614 10.4237 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 9.3409 11.9149 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 8.4636 8.4264 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 6.7326 8.4237 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 11.0442 10.9259 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 13.6586 12.4098 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 14.6226 12.7012 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 15.4882 13.2009 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 13.7572 13.2009 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 16.3535 12.7013 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 17.2191 13.2009 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 18.9500 13.2009 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 19.8155 12.7013 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 17.2191 14.2002 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 13.6385 9.4068 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 12.7703 10.9158 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 11.9072 9.4269 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 11.0391 7.9331 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 11.9018 7.4275 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 13.6327 7.4178 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 15.6169 11.7032 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 2 1 2 0 0 0 3 2 2 0 0 0 48 2 1 0 0 0 2 49 1 0 0 0 5 4 1 0 0 0 40 5 1 0 0 0 5 41 1 0 0 0 6 5 1 0 0 0 8 7 2 0 0 0 32 8 1 0 0 0 8 33 1 0 0 0 9 8 2 0 0 0 11 10 2 0 0 0 30 11 1 0 0 0 11 31 1 0 0 0 12 11 2 0 0 0 13 16 1 0 0 0 13 30 1 1 0 0 13 14 1 0 0 0 14 15 1 0 0 0 14 32 1 6 0 0 15 18 1 0 0 0 17 16 1 0 0 0 17 18 1 0 0 0 17 34 1 1 0 0 17 21 1 0 0 0 18 19 1 0 0 0 18 47 1 6 0 0 19 20 1 0 0 0 19 48 1 6 0 0 20 22 1 0 0 0 21 22 1 0 0 0 21 24 1 0 0 0 21 46 1 6 0 0 22 45 1 1 0 0 22 26 1 0 0 0 25 23 1 0 0 0 23 24 1 0 0 0 29 25 1 0 0 0 25 35 1 1 0 0 25 26 1 0 0 0 26 27 1 0 0 0 26 44 1 6 0 0 27 28 1 0 0 0 28 29 1 0 0 0 29 36 1 0 0 0 29 50 1 6 0 0 36 37 1 0 0 0 36 38 1 6 0 0 37 39 1 0 0 0 39 40 1 0 0 0 40 43 1 0 0 0 41 42 1 0 0 0 M END > LMST05020036 > Halistanol sulfonic acid F > (5alpha)-24,25,26-trimethylcholestane-2beta,3alpha,6alpha-triyl tris(hydrogen sulfate) > C30H54O12S3 > 702.28 > Sterol Lipids [ST] > Steroid conjugates [ST05] > Sulfates [ST0502] > - > Halistanol sulfate F > XUMJIMYIZJLITA-TZVJEUQOSA-N > InChI=1S/C30H54O12S3/c1-8-28(4,5)19(3)10-9-18(2)21-11-12-22-20-15-25(40-43(31,32)33)24-16-26(41-44(34,35)36)27(42-45(37,38)39)17-30(24,7)23(20)13-14-29(21,22)6/h18-27H,8-17H2,1-7H3,(H,31,32,33)(H,34,35,36)(H,37,38,39)/t18-,19?,20+,21-,22+,23+,24-,25+,26+,27+,29-,30-/m1/s1 > O=S(O)(O[C@H]1C[C@]2([C@]3([H])CC[C@]([H])([C@H](C)CCC(C)C(C)(CC)C)[C@@]3(C)CC[C@]2([H])[C@]2(C)[C@]1([H])C[C@H](OS(=O)(O)=O)[C@@H](OS(=O)(O)=O)C2)[H])=O > - > - > 72477 > - > - > - > 44575671 > - > Sterol Lipids [ST] > Sterols [ST01] > Ergosterols and C24-methyl derivatives [ST0103] > - > 12958 > 8158159 $$$$