KEGG:C11136 Etiocholan-3alpha-ol-17-one 3-glucuronide ISISHOST03240423272D 1 1.00000 0.00000 10573 37 41 0 0 0 999 V2000 -0.3792 -14.2125 0.0000 C 0 0 2 0 0 0 0 0 0 -0.3792 -15.0375 0.0000 C 0 0 2 0 0 0 0 0 0 0.3370 -15.4500 0.0000 C 0 0 1 0 0 0 0 0 0 1.0490 -15.0375 0.0000 C 0 0 2 0 0 0 0 0 0 1.0490 -14.2125 0.0000 C 0 0 1 0 0 0 0 0 0 0.3370 -13.8000 0.0000 O 0 0 0 0 0 0 0 0 0 5.4367 -12.5523 0.0000 C 0 0 2 0 0 0 0 0 0 4.7163 -12.1331 0.0000 C 0 0 1 0 0 0 0 0 0 6.1820 -12.1447 0.0000 C 0 0 1 0 0 0 0 0 0 5.4279 -13.4108 0.0000 C 0 0 0 0 0 0 0 0 0 3.9930 -12.5461 0.0000 C 0 0 2 0 0 0 0 0 0 4.7224 -11.2897 0.0000 C 0 0 0 0 0 0 0 0 0 6.2033 -11.3013 0.0000 C 0 0 2 0 0 0 0 0 0 6.9953 -12.4143 0.0000 C 0 0 0 0 0 0 0 0 0 4.7039 -13.8225 0.0000 C 0 0 0 0 0 0 0 0 0 3.9779 -13.3833 0.0000 C 0 0 2 0 0 0 0 0 0 3.2539 -12.1199 0.0000 C 0 0 0 0 0 0 0 0 0 3.9991 -11.6973 0.0000 C 0 0 0 0 0 0 0 0 0 5.4615 -10.8724 0.0000 C 0 0 0 0 0 0 0 0 0 7.0076 -11.0413 0.0000 C 0 0 0 0 0 0 0 0 0 6.2891 -10.4525 0.0000 C 0 0 0 0 0 0 0 0 0 7.4948 -11.7309 0.0000 C 0 0 0 0 0 0 0 0 0 3.2319 -13.8102 0.0000 C 0 0 0 0 0 0 0 0 0 2.5113 -12.5337 0.0000 C 0 0 0 0 0 0 0 0 0 7.2862 -10.2342 0.0000 O 0 0 0 0 0 0 0 0 0 2.5113 -13.3930 0.0000 C 0 0 1 0 0 0 0 0 0 1.7661 -13.8074 0.0000 O 0 0 0 0 0 0 0 0 0 5.4279 -11.7865 0.0000 H 0 0 0 0 0 0 0 0 0 4.7135 -12.8598 0.0000 H 0 0 0 0 0 0 0 0 0 6.2156 -12.8413 0.0000 H 0 0 0 0 0 0 0 0 0 3.9586 -13.9625 0.0000 H 0 0 0 0 0 0 0 0 0 0.3381 -16.2750 0.0000 O 0 0 0 0 0 0 0 0 0 -1.0934 -13.7996 0.0000 C 0 0 0 0 0 0 0 0 0 1.7638 -15.4495 0.0000 O 0 0 0 0 0 0 0 0 0 -1.0934 -15.4504 0.0000 O 0 0 0 0 0 0 0 0 0 -1.0930 -12.9746 0.0000 O 0 0 0 0 0 0 0 0 0 -1.8081 -14.2118 0.0000 O 0 0 0 0 0 0 0 0 0 3 4 1 0 0 0 7 8 1 0 0 0 7 9 1 0 0 0 7 10 1 0 0 0 8 11 1 0 0 0 8 12 1 0 0 0 9 13 1 0 0 0 9 14 1 0 0 0 10 15 1 0 0 0 11 16 1 0 0 0 11 17 1 0 0 0 11 18 1 1 0 0 12 19 1 0 0 0 13 20 1 0 0 0 13 21 1 1 0 0 14 22 1 0 0 0 16 23 1 0 0 0 17 24 1 0 0 0 20 25 2 0 0 0 23 26 1 0 0 0 26 27 1 6 0 0 13 19 1 0 0 0 15 16 1 0 0 0 20 22 1 0 0 0 24 26 1 0 0 0 7 28 1 1 0 0 8 29 1 6 0 0 9 30 1 6 0 0 16 31 1 1 0 0 5 27 1 1 0 0 4 5 1 0 0 0 3 32 1 1 0 0 5 6 1 0 0 0 1 33 1 1 0 0 6 1 1 0 0 0 4 34 1 6 0 0 2 35 1 6 0 0 1 2 1 0 0 0 33 36 2 0 0 0 2 3 1 0 0 0 33 37 1 0 0 0 M END