KEGG:C11301 Sulfoglycolithocholate ISISHOST03240423282D 1 1.00000 0.00000 11053 40 43 0 1 0 999 V2000 7.3391 -5.6295 0.0000 C 0 0 1 0 0 0 0 0 0 8.0460 -5.2225 0.0000 C 0 0 1 0 0 0 0 0 0 6.6426 -5.2260 0.0000 C 0 0 1 0 0 0 0 0 0 7.3391 -6.4363 0.0000 C 0 0 0 0 0 0 0 0 0 8.0564 -4.4260 0.0000 C 0 0 1 0 0 0 0 0 0 9.4184 -5.2398 0.0000 C 0 0 0 0 0 0 0 0 0 5.9322 -5.6295 0.0000 C 0 0 2 0 0 0 0 0 0 6.6426 -4.4156 0.0000 C 0 0 0 0 0 0 0 0 0 6.6426 -6.8363 0.0000 C 0 0 0 0 0 0 0 0 0 8.7453 -4.0432 0.0000 C 0 0 2 0 0 0 0 0 0 7.3391 -4.0156 0.0000 C 0 0 0 0 0 0 0 0 0 8.0667 -3.6226 0.0000 C 0 0 0 0 0 0 0 0 0 9.4253 -4.4467 0.0000 C 0 0 0 0 0 0 0 0 0 5.9253 -6.4260 0.0000 C 0 0 2 0 0 0 0 0 0 5.2391 -5.2260 0.0000 C 0 0 0 0 0 0 0 0 0 5.9322 -4.8156 0.0000 C 0 0 0 0 0 0 0 0 0 8.7591 -3.2399 0.0000 C 0 0 1 0 0 0 0 0 0 5.2288 -6.8260 0.0000 C 0 0 0 0 0 0 0 0 0 4.5288 -5.6295 0.0000 C 0 0 0 0 0 0 0 0 0 9.4633 -2.8426 0.0000 C 0 0 0 0 0 0 0 0 0 8.0633 -2.6501 0.0000 C 0 0 0 0 0 0 0 0 0 4.5184 -6.4260 0.0000 C 0 0 1 0 0 0 0 0 0 10.1529 -3.2606 0.0000 C 0 0 0 0 0 0 0 0 0 3.8039 -6.8260 0.0000 O 0 0 0 0 0 0 0 0 0 10.8564 -2.8674 0.0000 C 0 0 0 0 0 0 0 0 0 11.5460 -3.2812 0.0000 N 0 0 0 0 0 0 0 0 0 10.8667 -2.0639 0.0000 O 0 0 0 0 0 0 0 0 0 7.3391 -4.8156 0.0000 H 0 0 0 0 0 0 0 0 0 8.0564 -6.0261 0.0000 H 0 0 0 0 0 0 0 0 0 6.6426 -6.0295 0.0000 H 0 0 0 0 0 0 0 0 0 9.4805 -3.6330 0.0000 H 0 0 0 0 0 0 0 0 0 5.9253 -7.2467 0.0000 H 0 0 0 0 0 0 0 0 0 12.2621 -2.8788 0.0000 C 0 0 0 0 0 0 0 0 0 12.9665 -3.3014 0.0000 C 0 0 0 0 0 0 0 0 0 2.9792 -6.8208 0.0000 S 0 0 3 0 0 0 0 0 0 2.9750 -6.0000 0.0000 O 0 0 0 0 0 0 0 0 0 2.1584 -6.8167 0.0000 O 0 0 0 0 0 0 0 0 0 2.9750 -7.6417 0.0000 O 0 5 0 0 0 0 0 0 0 12.9526 -4.1263 0.0000 O 0 0 0 0 0 0 0 0 0 13.6878 -2.9009 0.0000 O 0 0 0 0 0 0 0 0 0 2 5 1 0 0 0 2 6 1 0 0 0 3 7 1 0 0 0 3 8 1 0 0 0 4 9 1 0 0 0 5 10 1 0 0 0 5 11 1 0 0 0 5 12 1 1 0 0 6 13 1 0 0 0 7 14 1 0 0 0 7 15 1 0 0 0 7 16 1 1 0 0 10 17 1 0 0 0 14 18 1 0 0 0 15 19 1 0 0 0 17 20 1 0 0 0 17 21 1 6 0 0 18 22 1 0 0 0 20 23 1 0 0 0 22 24 1 6 0 0 23 25 1 0 0 0 25 26 1 0 0 0 25 27 2 0 0 0 8 11 1 0 0 0 9 14 1 0 0 0 10 13 1 0 0 0 19 22 1 0 0 0 1 28 1 1 0 0 2 29 1 6 0 0 3 30 1 6 0 0 10 31 1 6 0 0 14 32 1 1 0 0 26 33 1 0 0 0 33 34 1 0 0 0 24 35 1 0 0 0 35 36 2 0 0 0 1 2 1 0 0 0 35 37 2 0 0 0 1 3 1 0 0 0 35 38 1 0 0 0 34 39 2 0 0 0 1 4 1 0 0 0 34 40 1 0 0 0 M CHG 1 38 -1 M END