LMST01010630 LIPID_MAPS_STRUCTURE_DATABASE 42 45 0 0 0 0 0 0 0 0999 V2000 8.1476 -6.5898 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.2009 -7.1366 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.2009 -8.2297 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 8.1476 -8.7765 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 9.0945 -8.2297 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 10.0412 -8.7765 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 10.9883 -8.2297 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 10.9883 -7.1366 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 10.0412 -6.5898 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 9.0945 -7.1366 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 10.0412 -5.4968 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 10.9883 -4.9500 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 11.9348 -5.4968 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 11.9348 -6.5898 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 13.8286 -6.5898 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 13.8286 -5.4968 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 12.8817 -4.9500 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 11.9348 -4.6493 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 9.0945 -6.3711 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 12.8817 -4.0755 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 11.9914 -3.8370 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 13.6392 -3.6382 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 14.3966 -4.0755 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 15.1539 -3.6382 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 15.9112 -4.0755 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 16.6689 -3.6382 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 15.9112 -4.8139 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 13.4948 -4.5961 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 12.8817 -3.1430 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 6.5237 -8.6207 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 9.0945 -8.9560 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 10.9883 -6.2072 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 10.0206 -7.5094 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 11.9348 -7.4381 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 14.6953 -4.9964 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 10.0412 -9.7774 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 14.5363 -7.2976 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 11.8550 -8.7301 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 11.8550 -9.7310 0.0000 S 0 0 0 0 0 0 0 0 0 0 0 0 12.8720 -9.7560 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 10.9132 -9.8061 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 11.8550 -10.7319 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 1 2 1 0 0 0 0 2 3 1 0 0 0 0 3 4 1 0 0 0 0 4 5 1 0 0 0 0 5 6 1 0 0 0 0 6 7 1 0 0 0 0 7 8 1 0 0 0 0 8 9 1 0 0 0 0 9 11 1 0 0 0 0 11 12 1 0 0 0 0 12 13 1 0 0 0 0 13 14 1 0 0 0 0 14 15 1 0 0 0 0 15 16 1 0 0 0 0 16 17 1 0 0 0 0 17 20 1 0 0 0 0 20 22 1 0 0 0 0 22 23 2 0 0 0 0 23 24 1 0 0 0 0 24 25 1 0 0 0 0 25 26 1 0 0 0 0 25 27 1 0 0 0 0 1 10 1 0 0 0 0 5 10 1 0 0 0 0 9 10 1 0 0 0 0 8 14 1 0 0 0 0 13 17 1 0 0 0 0 13 18 1 1 0 0 0 10 19 1 1 0 0 0 20 21 1 6 0 0 0 17 28 1 6 0 0 0 20 29 1 1 0 0 0 3 30 1 1 0 0 0 5 31 1 6 0 0 0 8 32 1 1 0 0 0 9 33 1 6 0 0 0 14 34 1 6 0 0 0 16 35 1 1 0 0 6 36 1 1 0 0 15 37 1 6 0 0 7 38 1 6 0 0 38 39 1 0 0 0 39 40 2 0 0 0 39 41 2 0 0 0 39 42 1 0 0 0 M END > LMST01010630 > Maculasteroid B > Cholest-22E-en-3beta,5alpha,6beta,7alpha,15alpha,16beta-hexol 15-sulfate > C27H46O9S > 546.29 > Sterol Lipids [ST] > Steroid conjugates [ST05] > Sulfates [ST0502] > - > > ZQMRQFLFCFNOCO-RHIOWTJOSA-N > InChI=1S/C27H46O9S/c1-14(2)7-6-8-15(3)19-21(29)22(30)20-18-17(10-11-25(19,20)4)26(5)12-9-16(28)13-27(26,32)24(31)23(18)36-37(33,34)35/h6,8,14-24,28-32H,7,9-13H2,1-5H3,(H,33,34,35)/b8-6+/t15-,16+,17+,18-,19+,20-,21-,22-,23+,24-,25-,26-,27+/m1/s1 > C1[C@]2(C)[C@@]3([H])CC[C@]4(C)[C@@]([H])([C@]([H])(C)/C=C/CC(C)C)[C@@H](O)[C@H](O)[C@@]4([H])[C@]3([H])[C@H](OS(O)(=O)=O)[C@@H](O)[C@@]2(O)C[C@@H](O)C1 > - > - > - > ST 27:1;O6;S > - > - > 178334362 > - > Sterol Lipids [ST] > Steroid conjugates [ST05] > Sulfates [ST0502] > - > 60584 > 41794352 $$$$