LMST05020051 LIPID_MAPS_STRUCTURE_DATABASE 46 49 0 0 0 999 V2000 13.2672 6.0662 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 12.7722 6.9301 0.0000 S 0 0 0 0 0 0 0 0 0 0 0 0 12.2716 6.0692 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 18.0956 12.7155 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.0990 9.8046 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 7.6042 8.9356 0.0000 S 0 0 0 0 0 0 0 0 0 0 0 0 8.1042 9.8076 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 7.4820 11.4549 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 8.4774 11.4367 0.0000 S 0 0 0 0 0 0 0 0 0 0 0 0 7.9956 12.3079 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 9.3368 9.9358 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 9.3368 8.9356 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 10.2001 8.4406 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 10.2001 10.4410 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 11.0635 9.9358 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 11.0592 8.9356 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 11.9184 8.4347 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 12.7875 8.9284 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 11.9269 10.4351 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 12.7919 9.9226 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 12.8125 11.9295 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 11.9335 11.4376 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 13.6774 11.4172 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 13.6610 10.4151 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 14.6091 10.0897 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 15.2115 10.8910 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 14.6355 11.7112 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 8.4693 10.4335 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 9.3497 11.9260 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 8.4715 8.4343 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 6.7389 8.4316 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 11.0545 10.9361 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 13.6713 12.4214 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 14.6361 12.7131 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 15.5026 13.2131 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 13.7699 13.2131 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 16.3687 12.7132 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 17.2351 13.2131 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 13.6511 9.4156 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 12.7822 10.9260 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 11.9183 9.4357 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 11.0494 7.9406 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 11.9129 7.4345 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 13.6453 7.4248 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 15.6314 11.7141 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 17.2355 14.2141 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 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 M END > LMST05020051 > Halistanol sulfonic acid D > (5alpha)24-methyl-26,27-dinorcholestane-2beta,3alpha,6alpha-triyl tris(hydrogen sulfate) > C26H46O12S3 > 646.22 > Sterol Lipids [ST] > Steroid conjugates [ST05] > Sulfates [ST0502] > - > Halistanol sulfate D > KTUJXITZABTSEN-DVOUHLLHSA-N > InChI=1S/C26H46O12S3/c1-15(2)6-7-16(3)18-8-9-19-17-12-22(36-39(27,28)29)21-13-23(37-40(30,31)32)24(38-41(33,34)35)14-26(21,5)20(17)10-11-25(18,19)4/h15-24H,6-14H2,1-5H3,(H,27,28,29)(H,30,31,32)(H,33,34,35)/t16-,17+,18-,19+,20+,21-,22+,23+,24+,25-,26-/m1/s1 > O=S(O)(O[C@H]1C[C@]2([C@]3([H])CC[C@]([H])([C@H](C)CCC(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 > - > - > - > - > - > - > 171120326 > - > Sterol Lipids [ST] > Sterols [ST01] > Cholesterol and derivatives [ST0101] > - > 745414 > - $$$$