LMST05020048 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 12.7721 6.9300 0.0000 S 0 0 0 0 0 0 0 0 0 0 0 0 12.2715 6.0692 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 18.0956 12.7154 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.0989 9.8045 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 7.6041 8.9355 0.0000 S 0 0 0 0 0 0 0 0 0 0 0 0 8.1041 9.8075 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 7.4819 11.4548 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 8.4774 11.4366 0.0000 S 0 0 0 0 0 0 0 0 0 0 0 0 7.9955 12.3078 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 9.3367 9.9357 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 9.3367 8.9355 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 10.2000 8.4405 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 10.2000 10.4409 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 11.0634 9.9357 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 11.0591 8.9355 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 11.9183 8.4346 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 12.7874 8.9283 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 11.9268 10.4350 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 12.7918 9.9225 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 12.8125 11.9294 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 11.9335 11.4375 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 13.6774 11.4171 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 13.6611 10.4150 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 14.6091 10.0896 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 15.2115 10.8909 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 14.6356 11.7111 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 8.4692 10.4334 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 9.3496 11.9259 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 8.4714 8.4342 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 6.7388 8.4315 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 11.0544 10.9360 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 13.6713 12.4213 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 14.6362 12.7130 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 13.7700 13.2131 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 16.3687 12.7131 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 9.4155 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 12.7821 10.9259 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 11.9182 9.4356 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 11.0493 7.9405 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 11.9128 7.4344 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 13.6453 7.4247 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 18.9628 13.2151 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 4 46 2 0 0 0 M END > LMST05020048 > Halistanol sulfonic acid B > (5alpha)-27-norcholest-25en-2beta,3alpha,6alpha-triyl tris(hydrogen sulfate) > C26H44O12S3 > 644.20 > Sterol Lipids [ST] > Steroid conjugates [ST05] > Sulfates [ST0502] > - > Halistanol sulfate B > GOZCNGYUUBBJHI-DVOUHLLHSA-N > InChI=1S/C26H44O12S3/c1-5-6-7-8-16(2)18-9-10-19-17-13-22(36-39(27,28)29)21-14-23(37-40(30,31)32)24(38-41(33,34)35)15-26(21,4)20(17)11-12-25(18,19)3/h5,16-24H,1,6-15H2,2-4H3,(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)CCCC=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 > - > - > - > - > - > - > 20056021 > - > Sterol Lipids [ST] > Sterols [ST01] > Cholesterol and derivatives [ST0101] > - > 745414 > - $$$$