LMST05020047 LIPID_MAPS_STRUCTURE_DATABASE 48 51 0 0 0 999 V2000 13.2668 6.0660 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 12.7718 6.9298 0.0000 S 0 0 0 0 0 0 0 0 0 0 0 0 12.2712 6.0690 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 18.0951 12.7151 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.0986 9.8043 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 7.6039 8.9352 0.0000 S 0 0 0 0 0 0 0 0 0 0 0 0 8.1038 9.8073 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 7.4817 11.4546 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 8.4771 11.4363 0.0000 S 0 0 0 0 0 0 0 0 0 0 0 0 7.9952 12.3075 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 9.3364 9.9355 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 9.3364 8.9352 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 10.1998 8.4402 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 10.1998 10.4406 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 11.0632 9.9355 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 11.0589 8.9352 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 11.9181 8.4343 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 12.7872 8.9280 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 11.9266 10.4347 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 12.7916 9.9223 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 12.8122 11.9292 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 11.9332 11.4372 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 13.6770 11.4168 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 13.6606 10.4148 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 14.6087 10.0894 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 15.2110 10.8906 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 14.6351 11.7109 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 8.4690 10.4331 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 9.3492 11.9257 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 8.4712 8.4339 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 6.7386 8.4312 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 11.0542 10.9358 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 13.6709 12.4210 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 14.6357 12.7127 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 15.5021 13.2127 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 13.7695 13.2127 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 16.3682 12.7128 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 17.2346 13.2127 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 17.2346 14.2129 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 13.6507 9.4152 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 12.7819 10.9257 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 11.9180 9.4353 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 11.0491 7.9402 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 11.9126 7.4341 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 13.6449 7.4244 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 15.6309 11.7138 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 18.0942 11.7142 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 18.9622 13.2147 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 44 2 1 0 0 0 2 45 1 0 0 0 38 4 1 0 0 0 6 5 2 0 0 0 30 6 1 0 0 0 6 31 1 0 0 0 7 6 2 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 14 1 0 0 0 11 28 1 1 0 0 11 12 1 0 0 0 12 13 1 0 0 0 12 30 1 6 0 0 13 16 1 0 0 0 15 14 1 0 0 0 15 16 1 0 0 0 15 32 1 1 0 0 15 19 1 0 0 0 16 17 1 0 0 0 16 43 1 6 0 0 17 18 1 0 0 0 17 44 1 6 0 0 18 20 1 0 0 0 19 20 1 0 0 0 19 22 1 0 0 0 19 42 1 6 0 0 20 41 1 1 0 0 20 24 1 0 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 40 1 6 0 0 25 26 1 0 0 0 26 27 1 0 0 0 27 34 1 0 0 0 27 46 1 6 0 0 34 35 1 0 0 0 34 36 1 6 0 0 35 37 2 0 0 0 37 38 1 0 0 0 38 39 1 0 0 0 4 47 1 0 0 0 4 48 1 0 0 0 M END > LMST05020047 > Halistanol sulfonic acid A > (5alpha)-24-methylcholest-22E-en-2beta,3alpha,6alpha-triyl tris(hydrogen sulfate) > C28H48O12S3 > 672.23 > Sterol Lipids [ST] > Steroid conjugates [ST05] > Sulfates [ST0502] > - > Halistanol sulfate A > XVGKZICNJDERSU-UBFGMIEWSA-N > InChI=1S/C28H48O12S3/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/h7-8,16-26H,9-15H2,1-6H3,(H,29,30,31)(H,32,33,34)(H,35,36,37)/b8-7+/t17?,18-,19+,20-,21+,22+,23-,24+,25+,26+,27-,28-/m1/s1 > O=S(O)(O[C@H]1C[C@]2([C@]3([H])CC[C@]([H])([C@H](C)/C=C/C(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](OS(=O)(O)=O)C2)[H])=O > - > - > - > - > - > - > 20056019 > - > Sterol Lipids [ST] > Sterols [ST01] > Ergosterols and C24-methyl derivatives [ST0103] > - > 745414 > - $$$$