LMST05020050 LIPID_MAPS_STRUCTURE_DATABASE 50 53 0 0 0 999 V2000 13.2663 6.0659 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 12.7713 6.9296 0.0000 S 0 0 0 0 0 0 0 0 0 0 0 0 12.2706 6.0689 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 18.0944 12.7145 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.0985 9.8038 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 7.6037 8.9350 0.0000 S 0 0 0 0 0 0 0 0 0 0 0 0 8.1037 9.8068 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 7.4815 11.4540 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 8.4769 11.4358 0.0000 S 0 0 0 0 0 0 0 0 0 0 0 0 7.9951 12.3070 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 9.3361 9.9350 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 9.3361 8.9350 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 10.1993 8.4400 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 10.1993 10.4402 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 11.0627 9.9350 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 11.0584 8.9350 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 11.9175 8.4341 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 12.7866 8.9278 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 11.9260 10.4343 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 12.7910 9.9218 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 12.8116 11.9286 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 11.9326 11.4367 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 13.6764 11.4163 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 13.6601 10.4143 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 14.6082 10.0890 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 15.2105 10.8901 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 14.6347 11.7103 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 8.4688 10.4326 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 9.3489 11.9251 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 8.4710 8.4337 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 6.7385 8.4310 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 11.0537 10.9353 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 13.6703 12.4205 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 14.6353 12.7121 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 15.5016 13.2122 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 13.7690 13.2122 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 16.3676 12.7122 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 17.2340 13.2122 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 13.6502 9.4149 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 12.7813 10.9252 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 11.9174 9.4350 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 11.0486 7.9400 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 11.9120 7.4340 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 13.6444 7.4243 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 15.6304 11.7132 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 17.2344 14.2131 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 18.0935 11.7136 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 18.9616 13.2142 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 18.9612 12.2141 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 14.9020 9.1323 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 2 1 2 0 0 0 3 2 2 0 0 0 43 2 1 0 0 0 2 44 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 42 1 6 0 0 17 18 1 0 0 0 17 43 1 6 0 0 18 20 1 0 0 0 19 20 1 0 0 0 19 22 1 0 0 0 19 41 1 6 0 0 20 40 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 39 1 6 0 0 25 26 1 0 0 0 26 27 1 0 0 0 27 34 1 0 0 0 27 45 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 46 1 0 0 0 4 47 1 0 0 0 4 48 1 0 0 0 4 49 1 0 0 0 25 50 1 6 0 0 M END > LMST05020050 > Halistanol sulfonic acid E > (5alpha)-15alpha-hydroxy-24,25-dimethylcholestane-2beta,3alpha,6alpha-triyl tris(hydrogen sulfate) > C29H52O13S3 > 704.26 > Sterol Lipids [ST] > Steroid conjugates [ST05] > Sulfates [ST0502] > - > Halistanol sulfate E > KLKUVWUOOYCGDW-SKZMTPNBSA-N > InChI=1S/C29H52O13S3/c1-16(8-9-17(2)27(3,4)5)20-13-22(30)26-18-12-23(40-43(31,32)33)21-14-24(41-44(34,35)36)25(42-45(37,38)39)15-29(21,7)19(18)10-11-28(20,26)6/h16-26,30H,8-15H2,1-7H3,(H,31,32,33)(H,34,35,36)(H,37,38,39)/t16-,17?,18-,19+,20-,21-,22+,23+,24+,25+,26-,28-,29-/m1/s1 > O=S(O)(O[C@H]1C[C@]2([C@]3([H])[C@@H](O)C[C@]([H])([C@H](C)CCC(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 > - > - > - > - > - > - > 20056027 > - > Sterol Lipids [ST] > Sterols [ST01] > Ergosterols and C24-methyl derivatives [ST0103] > - > 745414 > - $$$$