KEGG:C05467 3alpha,7alpha,12alpha-Trihydroxy-5beta-24-oxocholestanoyl-CoA ISISHOST03240423122D 1 1.00000 0.00000 4638 83 89 0 0 0 999 V2000 4.6966 -2.0793 0.0000 C 0 0 3 0 0 0 0 0 0 4.2517 -1.8207 0.0000 C 0 0 1 0 0 0 0 0 0 5.1414 -1.8241 0.0000 C 0 0 1 0 0 0 0 0 0 4.6897 -2.5897 0.0000 C 0 0 1 0 0 0 0 0 0 4.2552 -1.3069 0.0000 C 0 0 3 0 0 0 0 0 0 3.3552 -1.8172 0.0000 C 0 0 0 0 0 0 0 0 0 5.5862 -2.0897 0.0000 C 0 0 3 0 0 0 0 0 0 5.1448 -1.3103 0.0000 C 0 0 0 0 0 0 0 0 0 5.1310 -2.8517 0.0000 C 0 0 0 0 0 0 0 0 0 4.3241 -2.9483 0.0000 O 0 0 0 0 0 0 0 0 0 3.8103 -1.0483 0.0000 C 0 0 3 0 0 0 0 0 0 4.7000 -1.0552 0.0000 C 0 0 2 0 0 0 0 0 0 4.2517 -0.7897 0.0000 C 0 0 0 0 0 0 0 0 0 3.3586 -1.3035 0.0000 C 0 0 0 0 0 0 0 0 0 5.5793 -2.5966 0.0000 C 0 0 2 0 0 0 0 0 0 6.0310 -1.8345 0.0000 C 0 0 0 0 0 0 0 0 0 5.5828 -1.5724 0.0000 C 0 0 0 0 0 0 0 0 0 3.8172 -0.5345 0.0000 C 0 0 3 0 0 0 0 0 0 5.0621 -0.6862 0.0000 O 0 0 0 0 0 0 0 0 0 6.0207 -2.8586 0.0000 C 0 0 0 0 0 0 0 0 0 6.4690 -2.1000 0.0000 C 0 0 0 0 0 0 0 0 0 3.3621 -0.2690 0.0000 C 0 0 0 0 0 0 0 0 0 4.2655 -0.2690 0.0000 C 0 0 0 0 0 0 0 0 0 6.4621 -2.6103 0.0000 C 0 0 1 0 0 0 0 0 0 2.9103 -0.5345 0.0000 C 0 0 0 0 0 0 0 0 0 6.8207 -2.9655 0.0000 O 0 0 0 0 0 0 0 0 0 2.4586 -0.2690 0.0000 C 0 0 0 0 0 0 0 0 0 2.0069 -0.5345 0.0000 C 0 0 3 0 0 0 0 0 0 2.4586 0.2517 0.0000 O 0 0 0 0 0 0 0 0 0 1.5552 -0.2655 0.0000 C 0 0 0 0 0 0 0 0 0 2.0069 -1.0552 0.0000 C 0 0 0 0 0 0 0 0 0 1.1000 -0.5276 0.0000 S 0 0 0 0 0 0 0 0 0 1.5483 0.2310 0.0000 O 0 0 0 0 0 0 0 0 0 0.6448 -0.2621 0.0000 C 0 0 0 0 0 0 0 0 0 0.1862 -0.5276 0.0000 C 0 0 0 0 0 0 0 0 0 -0.2724 -0.2621 0.0000 N 0 0 0 0 0 0 0 0 0 -0.7276 -0.5276 0.0000 C 0 0 0 0 0 0 0 0 0 -1.1793 -0.2621 0.0000 C 0 0 0 0 0 0 0 0 0 -0.7276 -1.0552 0.0000 O 0 0 0 0 0 0 0 0 0 -1.6379 -0.5276 0.0000 C 0 0 0 0 0 0 0 0 0 -2.0931 -0.2655 0.0000 N 0 0 0 0 0 0 0 0 0 -2.5517 -0.5276 0.0000 C 0 0 0 0 0 0 0 0 0 -3.0035 -0.2655 0.0000 C 0 0 3 0 0 0 0 0 0 -2.5517 -1.0552 0.0000 O 0 0 0 0 0 0 0 0 0 -3.4655 -0.5276 0.0000 C 0 0 3 0 0 0 0 0 0 -3.0035 0.2621 0.0000 O 0 0 0 0 0 0 0 0 0 -3.9172 -0.2655 0.0000 C 0 0 0 0 0 0 0 0 0 -3.4690 -1.0000 0.0000 C 0 0 0 0 0 0 0 0 0 -3.4724 0.0172 0.0000 C 0 0 0 0 0 0 0 0 0 -4.3724 -0.5276 0.0000 O 0 0 0 0 0 0 0 0 0 -4.9207 -0.5379 0.0000 P 0 0 3 0 0 0 0 0 0 -4.9207 0.5345 0.0000 O 0 0 0 0 0 0 0 0 0 -4.9276 -1.1621 0.0000 O 0 0 0 0 0 0 0 0 0 -5.4483 -0.5345 0.0000 O 0 0 0 0 0 0 0 0 0 -4.9207 1.6483 0.0000 P 0 0 3 0 0 0 0 0 0 -4.0828 1.6586 0.0000 O 0 0 0 0 0 0 0 0 0 -4.9207 2.1793 0.0000 O 0 0 0 0 0 0 0 0 0 -5.4552 1.6552 0.0000 O 0 0 0 0 0 0 0 0 0 -3.3621 2.0000 0.0000 C 0 0 0 0 0 0 0 0 0 -2.8690 1.8414 0.0000 C 0 0 2 0 0 0 0 0 0 -2.7034 1.3414 0.0000 C 0 0 2 0 0 0 0 0 0 -2.4448 2.1517 0.0000 O 0 0 0 0 0 0 0 0 0 -2.1655 1.3414 0.0000 C 0 0 2 0 0 0 0 0 0 -2.9724 0.9655 0.0000 O 0 0 0 0 0 0 0 0 0 -2.0035 1.8379 0.0000 C 0 0 2 0 0 0 0 0 0 -1.8586 0.9172 0.0000 O 0 0 0 0 0 0 0 0 0 -3.5345 0.9690 0.0000 P 0 0 3 0 0 0 0 0 0 -1.7862 2.7483 0.0000 N 0 0 3 0 0 0 0 0 0 -3.4897 1.4724 0.0000 O 0 0 0 0 0 0 0 0 0 -4.0517 0.9552 0.0000 O 0 0 0 0 0 0 0 0 0 -3.5379 0.4345 0.0000 O 0 0 0 0 0 0 0 0 0 -2.7069 2.7483 0.0000 C 0 0 0 0 0 0 0 0 0 -1.7862 3.2828 0.0000 C 0 0 0 0 0 0 0 0 0 -2.7069 3.2828 0.0000 C 0 0 0 0 0 0 0 0 0 -3.1690 2.4862 0.0000 N 0 0 0 0 0 0 0 0 0 -2.2448 3.5552 0.0000 N 0 0 0 0 0 0 0 0 0 -3.1690 3.5483 0.0000 C 0 0 0 0 0 0 0 0 0 -3.6276 2.7483 0.0000 C 0 0 0 0 0 0 0 0 0 -3.6276 3.2828 0.0000 N 0 0 0 0 0 0 0 0 0 -3.1724 4.0724 0.0000 N 0 0 0 0 0 0 0 0 0 4.2483 -2.3759 0.0000 H 0 0 0 0 0 0 0 0 0 5.1379 -2.3379 0.0000 H 0 0 0 0 0 0 0 0 0 5.5759 -3.1069 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 4 9 1 0 0 0 4 10 1 1 0 0 5 11 1 0 0 0 5 12 1 0 0 0 5 13 1 0 0 0 6 14 1 0 0 0 7 15 1 0 0 0 7 16 1 0 0 0 7 17 1 0 0 0 11 18 1 0 0 0 12 19 1 1 0 0 15 20 1 0 0 0 16 21 1 0 0 0 18 22 1 0 0 0 18 23 1 0 0 0 20 24 1 0 0 0 22 25 1 0 0 0 24 26 1 1 0 0 25 27 1 0 0 0 27 28 1 0 0 0 27 29 2 0 0 0 28 30 1 0 0 0 28 31 1 0 0 0 30 32 1 0 0 0 30 33 2 0 0 0 32 34 1 0 0 0 34 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 40 41 1 0 0 0 41 42 1 0 0 0 42 43 1 0 0 0 42 44 2 0 0 0 43 45 1 0 0 0 43 46 1 0 0 0 45 47 1 0 0 0 45 48 1 0 0 0 45 49 1 0 0 0 47 50 1 0 0 0 50 51 1 0 0 0 51 52 1 0 0 0 51 53 1 0 0 0 51 54 2 0 0 0 52 55 1 0 0 0 55 56 1 0 0 0 55 57 1 0 0 0 55 58 2 0 0 0 56 59 1 0 0 0 60 59 1 1 0 0 60 61 1 0 0 0 60 62 1 0 0 0 61 63 1 0 0 0 61 64 1 6 0 0 62 65 1 0 0 0 63 66 1 6 0 0 64 67 1 0 0 0 65 68 1 1 0 0 67 69 1 0 0 0 67 70 1 0 0 0 67 71 2 0 0 0 68 72 1 0 0 0 68 73 1 0 0 0 72 74 2 0 0 0 72 75 1 0 0 0 73 76 2 0 0 0 74 77 1 0 0 0 75 78 2 0 0 0 77 79 2 0 0 0 77 80 1 0 0 0 8 12 1 0 0 0 9 15 1 0 0 0 11 14 1 0 0 0 21 24 1 0 0 0 63 65 1 0 0 0 74 76 1 0 0 0 78 79 1 0 0 0 2 81 1 1 0 0 3 82 1 1 0 0 15 83 1 6 0 0 M END