KEGG:C05449 3alpha,7alpha-Dihydroxy-5beta-24-oxocholestanoyl-CoA ISISHOST03240423122D 1 1.00000 0.00000 4622 80 86 0 0 0 999 V2000 4.2862 -1.8172 0.0000 C 0 0 3 0 0 0 0 0 0 4.7276 -2.0724 0.0000 C 0 0 3 0 0 0 0 0 0 4.2897 -1.3035 0.0000 C 0 0 1 0 0 0 0 0 0 3.3931 -1.8207 0.0000 C 0 0 0 0 0 0 0 0 0 5.1724 -1.8241 0.0000 C 0 0 3 0 0 0 0 0 0 4.7241 -2.5828 0.0000 C 0 0 1 0 0 0 0 0 0 3.8448 -1.0517 0.0000 C 0 0 3 0 0 0 0 0 0 4.7345 -1.0517 0.0000 C 0 0 0 0 0 0 0 0 0 4.2793 -0.7759 0.0000 C 0 0 0 0 0 0 0 0 0 3.3966 -1.3035 0.0000 C 0 0 0 0 0 0 0 0 0 5.6103 -2.0828 0.0000 C 0 0 2 0 0 0 0 0 0 5.1759 -1.3103 0.0000 C 0 0 0 0 0 0 0 0 0 5.1621 -2.8414 0.0000 C 0 0 0 0 0 0 0 0 0 4.2793 -2.8310 0.0000 O 0 0 0 0 0 0 0 0 0 3.8483 -0.5345 0.0000 C 0 0 3 0 0 0 0 0 0 5.6035 -2.5897 0.0000 C 0 0 2 0 0 0 0 0 0 6.0586 -1.8345 0.0000 C 0 0 0 0 0 0 0 0 0 5.6069 -1.5655 0.0000 C 0 0 0 0 0 0 0 0 0 3.4000 -0.2793 0.0000 C 0 0 0 0 0 0 0 0 0 4.2931 -0.2759 0.0000 C 0 0 0 0 0 0 0 0 0 6.0414 -2.8517 0.0000 C 0 0 0 0 0 0 0 0 0 6.4931 -2.0966 0.0000 C 0 0 0 0 0 0 0 0 0 2.9517 -0.5379 0.0000 C 0 0 0 0 0 0 0 0 0 6.4862 -2.6034 0.0000 C 0 0 1 0 0 0 0 0 0 2.5000 -0.2793 0.0000 C 0 0 0 0 0 0 0 0 0 6.9241 -2.8655 0.0000 O 0 0 0 0 0 0 0 0 0 2.0552 -0.5379 0.0000 C 0 0 3 0 0 0 0 0 0 2.5000 0.2379 0.0000 O 0 0 0 0 0 0 0 0 0 1.6035 -0.2793 0.0000 C 0 0 0 0 0 0 0 0 0 2.0552 -1.0586 0.0000 C 0 0 0 0 0 0 0 0 0 1.1586 -0.5379 0.0000 S 0 0 0 0 0 0 0 0 0 1.6000 0.2414 0.0000 O 0 0 0 0 0 0 0 0 0 0.7034 -0.2759 0.0000 C 0 0 0 0 0 0 0 0 0 0.2517 -0.5379 0.0000 C 0 0 0 0 0 0 0 0 0 -0.2034 -0.2759 0.0000 N 0 0 0 0 0 0 0 0 0 -0.6552 -0.5379 0.0000 C 0 0 0 0 0 0 0 0 0 -1.1069 -0.2759 0.0000 C 0 0 0 0 0 0 0 0 0 -0.6552 -1.0655 0.0000 O 0 0 0 0 0 0 0 0 0 -1.5621 -0.5379 0.0000 C 0 0 0 0 0 0 0 0 0 -2.0138 -0.2759 0.0000 N 0 0 0 0 0 0 0 0 0 -2.4690 -0.5379 0.0000 C 0 0 0 0 0 0 0 0 0 -2.9207 -0.2759 0.0000 C 0 0 3 0 0 0 0 0 0 -2.4690 -1.0655 0.0000 O 0 0 0 0 0 0 0 0 0 -3.3759 -0.5379 0.0000 C 0 0 3 0 0 0 0 0 0 -2.9207 0.2448 0.0000 O 0 0 0 0 0 0 0 0 0 -3.8310 -0.2759 0.0000 C 0 0 0 0 0 0 0 0 0 -3.3828 -1.0069 0.0000 C 0 0 0 0 0 0 0 0 0 -3.3862 0.0000 0.0000 C 0 0 0 0 0 0 0 0 0 -4.2793 -0.5379 0.0000 O 0 0 0 0 0 0 0 0 0 -4.8241 -0.5483 0.0000 P 0 0 3 0 0 0 0 0 0 -4.8276 0.5172 0.0000 O 0 0 0 0 0 0 0 0 0 -4.8310 -1.1690 0.0000 O 0 0 0 0 0 0 0 0 0 -5.3517 -0.5414 0.0000 O 0 0 0 0 0 0 0 0 0 -4.8276 1.6241 0.0000 P 0 0 3 0 0 0 0 0 0 -3.9931 1.6345 0.0000 O 0 0 0 0 0 0 0 0 0 -4.8241 2.1552 0.0000 O 0 0 0 0 0 0 0 0 0 -5.3517 1.6345 0.0000 O 0 0 0 0 0 0 0 0 0 -3.2759 1.9724 0.0000 C 0 0 0 0 0 0 0 0 0 -2.7897 1.8207 0.0000 C 0 0 2 0 0 0 0 0 0 -2.6207 1.3207 0.0000 C 0 0 2 0 0 0 0 0 0 -2.3621 2.1241 0.0000 O 0 0 0 0 0 0 0 0 0 -2.0862 1.3207 0.0000 C 0 0 2 0 0 0 0 0 0 -2.8897 0.9414 0.0000 O 0 0 0 0 0 0 0 0 0 -1.9276 1.8138 0.0000 C 0 0 2 0 0 0 0 0 0 -1.7793 0.9000 0.0000 O 0 0 0 0 0 0 0 0 0 -3.4448 0.9483 0.0000 P 0 0 3 0 0 0 0 0 0 -1.7103 2.7207 0.0000 N 0 0 3 0 0 0 0 0 0 -3.4034 1.4483 0.0000 O 0 0 0 0 0 0 0 0 0 -3.9552 0.9345 0.0000 O 0 0 0 0 0 0 0 0 0 -3.4483 0.4207 0.0000 O 0 0 0 0 0 0 0 0 0 -2.6241 2.7207 0.0000 C 0 0 0 0 0 0 0 0 0 -1.7103 3.2483 0.0000 C 0 0 0 0 0 0 0 0 0 -2.6241 3.2483 0.0000 C 0 0 0 0 0 0 0 0 0 -3.0862 2.4517 0.0000 N 0 0 0 0 0 0 0 0 0 -2.1690 3.5172 0.0000 N 0 0 0 0 0 0 0 0 0 -3.0862 3.5103 0.0000 C 0 0 0 0 0 0 0 0 0 -3.5379 2.7207 0.0000 C 0 0 0 0 0 0 0 0 0 -3.5379 3.2483 0.0000 N 0 0 0 0 0 0 0 0 0 -3.0862 4.0345 0.0000 N 0 0 0 0 0 0 0 0 0 5.6000 -3.0931 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 27 30 1 0 0 0 29 31 1 0 0 0 29 32 2 0 0 0 31 33 1 0 0 0 33 34 1 0 0 0 34 35 1 0 0 0 35 36 1 0 0 0 36 37 1 0 0 0 36 38 2 0 0 0 37 39 1 0 0 0 39 40 1 0 0 0 40 41 1 0 0 0 41 42 1 0 0 0 41 43 2 0 0 0 42 44 1 0 0 0 42 45 1 0 0 0 44 46 1 0 0 0 44 47 1 0 0 0 44 48 1 0 0 0 46 49 1 0 0 0 49 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 54 55 1 0 0 0 54 56 1 0 0 0 54 57 2 0 0 0 55 58 1 0 0 0 59 58 1 1 0 0 59 60 1 0 0 0 59 61 1 0 0 0 60 62 1 0 0 0 60 63 1 6 0 0 61 64 1 0 0 0 62 65 1 6 0 0 63 66 1 0 0 0 64 67 1 1 0 0 66 68 1 0 0 0 66 69 1 0 0 0 66 70 2 0 0 0 67 71 1 0 0 0 67 72 1 0 0 0 71 73 2 0 0 0 71 74 1 0 0 0 72 75 2 0 0 0 73 76 1 0 0 0 74 77 2 0 0 0 76 78 2 0 0 0 76 79 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 62 64 1 0 0 0 73 75 1 0 0 0 77 78 1 0 0 0 16 80 1 6 0 0 M END