LMST05020037 LIPID_MAPS_STRUCTURE_DATABASE 48 51 0 0 0 999 V2000 13.2603 6.0606 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 12.7654 6.9243 0.0000 S 0 0 0 0 0 0 0 0 0 0 0 0 12.2647 6.0637 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 18.0883 12.7094 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.0926 9.7986 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 7.5977 8.9299 0.0000 S 0 0 0 0 0 0 0 0 0 0 0 0 8.0975 9.8017 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 7.4755 11.4488 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 8.4710 11.4308 0.0000 S 0 0 0 0 0 0 0 0 0 0 0 0 7.9891 12.3018 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 9.3303 9.9300 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 9.3303 8.9299 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 10.1937 8.4348 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 10.1937 10.4351 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 11.0568 9.9300 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 11.0524 8.9299 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 11.9117 8.4288 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 12.7807 8.9225 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 11.9201 10.4292 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 12.7850 9.9168 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 12.8057 11.9237 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 11.9266 11.4317 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 13.6705 11.4112 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 13.6543 10.4092 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 14.6021 10.0841 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 15.2044 10.8852 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 14.6286 11.7053 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 8.4626 10.4276 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 9.3430 11.9201 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 8.4648 8.4285 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 6.7326 8.4260 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 11.0478 10.9303 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 13.6643 12.4152 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 14.6292 12.7071 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 15.4953 13.2072 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 13.7630 13.2070 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 16.3616 12.7071 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 17.2277 13.2074 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 18.9601 13.2074 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 17.2277 14.2075 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 13.6442 9.4097 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 12.7754 10.9200 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 11.9115 9.4299 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 11.0428 7.9346 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 11.9060 7.4287 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 13.6384 7.4189 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 15.6243 11.7081 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 18.0856 11.7092 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2 1 2 0 0 0 3 2 2 0 0 0 45 2 1 0 0 0 2 46 1 0 0 0 38 4 1 0 0 0 4 39 1 0 0 0 4 48 1 0 0 0 6 5 2 0 0 0 7 6 2 0 0 0 30 6 1 0 0 0 6 31 1 0 0 0 9 8 2 0 0 0 28 9 1 0 0 0 9 29 1 0 0 0 10 9 2 0 0 0 11 28 1 1 0 0 11 12 1 0 0 0 11 14 1 0 0 0 12 30 1 6 0 0 12 13 1 0 0 0 13 16 1 0 0 0 15 14 1 0 0 0 15 16 1 0 0 0 15 19 1 0 0 0 15 32 1 1 0 0 16 17 1 0 0 0 16 44 1 6 0 0 17 18 1 0 0 0 17 45 1 6 0 0 18 20 1 0 0 0 19 20 1 0 0 0 19 22 1 0 0 0 19 43 1 6 0 0 20 24 1 0 0 0 20 42 1 1 0 0 23 21 1 0 0 0 21 22 1 0 0 0 27 23 1 0 0 0 23 33 1 1 0 0 23 24 1 0 0 0 24 25 1 0 0 0 24 41 1 6 0 0 25 26 1 0 0 0 26 27 1 0 0 0 27 34 1 0 0 0 27 47 1 6 0 0 34 35 1 0 0 0 34 36 1 6 0 0 35 37 1 0 0 0 37 38 1 0 0 0 38 40 1 6 0 0 M END > LMST05020037 > Halistanol sulfonic acid G > (5alpha)-ergostane-(2beta,3alpha,6alpha-triyl tris(hydrogen sulfate) > C28H50O12S3 > 674.25 > Sterol Lipids [ST] > Steroid conjugates [ST05] > Sulfates [ST0502] > - > (2beta,3alpha,5alpha,6alpha)-ergostane-2,3,6-triyl tris(hydrogen sulfate); Halistanol sulfate G > WBHAMVHLRVKJRH-VZAWWNCJSA-N > InChI=1S/C28H50O12S3/c1-16(2)17(3)7-8-18(4)20-9-10-21-19-13-24(38-41(29,30)31)23-14-25(39-42(32,33)34)26(40-43(35,36)37)15-28(23,6)22(19)11-12-27(20,21)5/h16-26H,7-15H2,1-6H3,(H,29,30,31)(H,32,33,34)(H,35,36,37)/t17-,18+,19-,20+,21-,22-,23+,24-,25-,26-,27+,28+/m0/s1 > O=S(O)(O[C@H]1C[C@@]2([H])[C@]3([H])CC[C@]([H])([C@H](C)CC[C@H](C)C(C)C)[C@@]3(C)CC[C@]2([H])[C@]2(C)[C@]1([H])C[C@H](OS(O)(=O)=O)[C@H](C2)OS(=O)(O)=O)=O > - > - > 72479 > - > - > - > 44566799 > - > Sterol Lipids [ST] > Sterols [ST01] > Ergosterols and C24-methyl derivatives [ST0103] > - > 12958 > 8158159 $$$$