KEGG:C05461 Chenodeoxyglycocholoyl-CoA ISISHOST03240423122D 1 1.00000 0.00000 4632 76 82 0 0 0 999 V2000 4.1034 -1.9897 0.0000 C 0 0 3 0 0 0 0 0 0 4.5862 -2.2690 0.0000 C 0 0 3 0 0 0 0 0 0 4.1069 -1.4345 0.0000 C 0 0 1 0 0 0 0 0 0 3.1379 -1.9897 0.0000 C 0 0 0 0 0 0 0 0 0 5.0655 -1.9931 0.0000 C 0 0 3 0 0 0 0 0 0 4.5793 -2.8207 0.0000 C 0 0 1 0 0 0 0 0 0 3.6241 -1.1517 0.0000 C 0 0 3 0 0 0 0 0 0 4.5897 -1.1586 0.0000 C 0 0 0 0 0 0 0 0 0 4.1034 -0.8690 0.0000 C 0 0 0 0 0 0 0 0 0 3.1414 -1.4345 0.0000 C 0 0 0 0 0 0 0 0 0 5.5448 -2.2793 0.0000 C 0 0 2 0 0 0 0 0 0 5.0690 -1.4414 0.0000 C 0 0 0 0 0 0 0 0 0 5.0552 -3.1034 0.0000 C 0 0 0 0 0 0 0 0 0 4.0966 -3.0931 0.0000 O 0 0 0 0 0 0 0 0 0 3.6241 -0.5966 0.0000 C 0 0 3 0 0 0 0 0 0 5.5379 -2.8276 0.0000 C 0 0 2 0 0 0 0 0 0 6.0241 -2.0035 0.0000 C 0 0 0 0 0 0 0 0 0 5.5379 -1.7172 0.0000 C 0 0 0 0 0 0 0 0 0 3.1414 -0.3172 0.0000 C 0 0 0 0 0 0 0 0 0 4.1103 -0.3172 0.0000 C 0 0 0 0 0 0 0 0 0 6.0103 -3.1069 0.0000 C 0 0 0 0 0 0 0 0 0 6.4965 -2.2862 0.0000 C 0 0 0 0 0 0 0 0 0 2.6552 -0.5966 0.0000 C 0 0 0 0 0 0 0 0 0 6.4931 -2.8379 0.0000 C 0 0 1 0 0 0 0 0 0 2.1690 -0.3172 0.0000 C 0 0 0 0 0 0 0 0 0 6.9690 -3.1207 0.0000 O 0 0 0 0 0 0 0 0 0 1.6897 -0.5966 0.0000 S 0 0 0 0 0 0 0 0 0 2.1690 0.2414 0.0000 O 0 0 0 0 0 0 0 0 0 1.2034 -0.3172 0.0000 C 0 0 0 0 0 0 0 0 0 0.7138 -0.5966 0.0000 C 0 0 0 0 0 0 0 0 0 0.2241 -0.3172 0.0000 N 0 0 0 0 0 0 0 0 0 -0.2586 -0.5966 0.0000 C 0 0 0 0 0 0 0 0 0 -0.7448 -0.3172 0.0000 C 0 0 0 0 0 0 0 0 0 -0.2586 -1.1621 0.0000 O 0 0 0 0 0 0 0 0 0 -1.2345 -0.5966 0.0000 C 0 0 0 0 0 0 0 0 0 -1.7207 -0.3172 0.0000 N 0 0 0 0 0 0 0 0 0 -2.2069 -0.5966 0.0000 C 0 0 0 0 0 0 0 0 0 -2.6966 -0.3172 0.0000 C 0 0 3 0 0 0 0 0 0 -2.2069 -1.1621 0.0000 O 0 0 0 0 0 0 0 0 0 -3.1828 -0.5966 0.0000 C 0 0 3 0 0 0 0 0 0 -2.6966 0.2483 0.0000 O 0 0 0 0 0 0 0 0 0 -3.6724 -0.3172 0.0000 C 0 0 0 0 0 0 0 0 0 -3.1931 -1.1000 0.0000 C 0 0 0 0 0 0 0 0 0 -3.1966 -0.0172 0.0000 C 0 0 0 0 0 0 0 0 0 -4.1552 -0.5966 0.0000 O 0 0 0 0 0 0 0 0 0 -4.7448 -0.6103 0.0000 P 0 0 3 0 0 0 0 0 0 -4.7448 0.5379 0.0000 O 0 0 0 0 0 0 0 0 0 -4.7517 -1.2759 0.0000 O 0 0 0 0 0 0 0 0 0 -5.3069 -0.6000 0.0000 O 0 0 0 0 0 0 0 0 0 -4.7448 1.7276 0.0000 P 0 0 3 0 0 0 0 0 0 -3.8483 1.7379 0.0000 O 0 0 0 0 0 0 0 0 0 -4.7414 2.2966 0.0000 O 0 0 0 0 0 0 0 0 0 -5.3069 1.7379 0.0000 O 0 0 0 0 0 0 0 0 0 -3.0759 2.1034 0.0000 C 0 0 0 0 0 0 0 0 0 -2.5517 1.9379 0.0000 C 0 0 2 0 0 0 0 0 0 -2.3724 1.4000 0.0000 C 0 0 2 0 0 0 0 0 0 -2.0931 2.2690 0.0000 O 0 0 0 0 0 0 0 0 0 -1.7966 1.4000 0.0000 C 0 0 2 0 0 0 0 0 0 -2.6586 0.9966 0.0000 O 0 0 0 0 0 0 0 0 0 -1.6276 1.9310 0.0000 C 0 0 2 0 0 0 0 0 0 -1.4655 0.9483 0.0000 O 0 0 0 0 0 0 0 0 0 -3.2552 1.0035 0.0000 P 0 0 3 0 0 0 0 0 0 -1.3966 2.9069 0.0000 N 0 0 3 0 0 0 0 0 0 -3.2172 1.5379 0.0000 O 0 0 0 0 0 0 0 0 0 -3.8103 0.9897 0.0000 O 0 0 0 0 0 0 0 0 0 -3.2621 0.4345 0.0000 O 0 0 0 0 0 0 0 0 0 -2.3793 2.9069 0.0000 C 0 0 0 0 0 0 0 0 0 -1.3931 3.4759 0.0000 C 0 0 0 0 0 0 0 0 0 -2.3793 3.4759 0.0000 C 0 0 0 0 0 0 0 0 0 -2.8724 2.6207 0.0000 N 0 0 0 0 0 0 0 0 0 -1.8828 3.7621 0.0000 N 0 0 0 0 0 0 0 0 0 -2.8724 3.7552 0.0000 C 0 0 0 0 0 0 0 0 0 -3.3586 2.9069 0.0000 C 0 0 0 0 0 0 0 0 0 -3.3586 3.4759 0.0000 N 0 0 0 0 0 0 0 0 0 -2.8724 4.3207 0.0000 N 0 0 0 0 0 0 0 0 0 5.5345 -3.3828 0.0000 H 0 0 0 0 0 0 0 0 0 1 2 1 0 0 0 1 3 1 0 0 0 1 4 1 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 3 9 1 6 0 0 4 10 1 0 0 0 5 11 1 0 0 0 5 12 1 0 0 0 6 13 1 0 0 0 6 14 1 1 0 0 7 15 1 0 0 0 11 16 1 0 0 0 11 17 1 0 0 0 11 18 1 6 0 0 15 19 1 0 0 0 15 20 1 0 0 0 16 21 1 0 0 0 17 22 1 0 0 0 19 23 1 0 0 0 21 24 1 0 0 0 23 25 1 0 0 0 24 26 1 1 0 0 25 27 1 0 0 0 25 28 2 0 0 0 27 29 1 0 0 0 29 30 1 0 0 0 30 31 1 0 0 0 31 32 1 0 0 0 32 33 1 0 0 0 32 34 2 0 0 0 33 35 1 0 0 0 35 36 1 0 0 0 36 37 1 0 0 0 37 38 1 0 0 0 37 39 2 0 0 0 38 40 1 0 0 0 38 41 1 0 0 0 40 42 1 0 0 0 40 43 1 0 0 0 40 44 1 0 0 0 42 45 1 0 0 0 45 46 1 0 0 0 46 47 1 0 0 0 46 48 1 0 0 0 46 49 2 0 0 0 47 50 1 0 0 0 50 51 1 0 0 0 50 52 1 0 0 0 50 53 2 0 0 0 51 54 1 0 0 0 55 54 1 1 0 0 55 56 1 0 0 0 55 57 1 0 0 0 56 58 1 0 0 0 56 59 1 6 0 0 57 60 1 0 0 0 58 61 1 6 0 0 59 62 1 0 0 0 60 63 1 1 0 0 62 64 1 0 0 0 62 65 1 0 0 0 62 66 2 0 0 0 63 67 1 0 0 0 63 68 1 0 0 0 67 69 2 0 0 0 67 70 1 0 0 0 68 71 2 0 0 0 69 72 1 0 0 0 70 73 2 0 0 0 72 74 2 0 0 0 72 75 1 0 0 0 7 10 1 0 0 0 8 12 1 0 0 0 13 16 1 0 0 0 22 24 1 0 0 0 58 60 1 0 0 0 69 71 1 0 0 0 73 74 1 0 0 0 16 76 1 6 0 0 M END