Marvin 08121012122D 40 43 0 0 1 0 999 V2000 8.3192 -7.1135 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.6048 -7.5261 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.6048 -8.3511 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 8.3192 -8.7635 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 9.0338 -8.3511 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 9.0338 -7.5261 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 9.7481 -7.1135 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 9.7481 -8.7635 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 10.4626 -8.3511 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 10.4626 -7.5261 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 10.4626 -5.8761 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 9.7481 -6.2886 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 11.9617 -6.0337 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 11.9617 -5.2087 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 12.6761 -4.7962 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 13.3907 -5.2087 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 14.1050 -4.7962 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 14.8196 -5.2087 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 15.5340 -4.7962 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 16.2484 -5.2087 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 16.9629 -4.7962 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 16.2484 -6.0337 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 14.1050 -3.9712 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 11.2472 -4.7962 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 9.0338 -6.7010 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 9.0338 -9.1760 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 9.7481 -7.9386 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 10.4626 -6.7010 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 11.1771 -7.9386 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 12.6761 -5.6212 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 11.1771 -5.4636 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.8904 -8.7635 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 11.1771 -6.2886 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 11.1771 -7.1135 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 11.9617 -7.3686 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 12.4466 -6.7012 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.4615 -8.7635 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 6.1759 -8.3511 0.0000 S 0 0 0 0 0 0 0 0 0 0 0 0 5.7653 -7.6355 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 6.5903 -7.6376 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 1 2 1 0 0 0 0 1 6 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 7 6 1 0 0 0 0 6 5 1 0 0 0 0 5 8 1 0 0 0 0 8 9 1 0 0 0 0 9 10 1 0 0 0 0 10 34 1 0 0 0 0 7 10 1 0 0 0 0 12 7 1 0 0 0 0 11 12 1 0 0 0 0 11 33 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 17 16 1 0 0 0 0 17 18 1 0 0 0 0 18 19 1 0 0 0 0 19 20 1 0 0 0 0 20 21 1 0 0 0 0 20 22 2 0 0 0 0 17 23 2 0 0 0 0 14 24 1 6 0 0 0 6 25 1 1 0 0 0 5 26 1 1 0 0 0 7 27 1 6 0 0 0 10 28 1 1 0 0 0 34 29 1 6 0 0 0 13 30 1 6 0 0 0 33 31 1 1 0 0 0 3 32 1 6 0 0 0 13 33 1 0 0 0 0 34 35 1 0 0 0 0 35 36 1 0 0 0 0 13 36 1 0 0 0 0 33 34 1 0 0 0 0 32 38 1 0 0 0 0 38 37 1 0 0 0 0 38 39 2 0 0 0 0 40 38 2 0 0 0 0 M END > CHEBI:9347 > sulfoglycolithocholic acid > The 3-O-sulfo derivative of glycolithocholic acid. > 3 > Sulfolithocholylglycine; Sulfoglycolithocholate; Glycolithocholic acid sulfate; Glycolithocholic acid 3-sulfate; glycolithocholate sulfate; Glycolithocholate 3-sulfate > N-[3alpha-(sulfonatooxy)-5beta-cholan-24-oyl]glycine > C26H43NO7S > 513.68700 > 513.27602 > 0 > [H][C@]12CC[C@@]3([H])[C@]4([H])CC[C@]([H])([C@H](C)CCC(=O)NCC(O)=O)[C@@]4(C)CC[C@]3([H])[C@@]1(C)CC[C@H](C2)OS(O)(=O)=O > InChI=1S/C26H43NO7S/c1-16(4-9-23(28)27-15-24(29)30)20-7-8-21-19-6-5-17-14-18(34-35(31,32)33)10-12-25(17,2)22(19)11-13-26(20,21)3/h16-22H,4-15H2,1-3H3,(H,27,28)(H,29,30)(H,31,32,33)/t16-,17-,18-,19+,20-,21+,22+,25+,26-/m1/s1 > FHXBAFXQVZOILS-OETIFKLTSA-N > 2405719 > 15324-64-8 > 15324-64-8 > C11301 > LMST05030004 $$$$