KEGG:C01301 3alpha,7alpha,12alpha-Trihydroxy-5beta-cholestan-26-al ISISHOST03240423042D 1 1.00000 0.00000 1224 37 40 0 1 0 999 V2000 -0.5241 -0.9345 0.0000 C 0 0 1 0 0 0 0 0 0 0.1414 -0.5448 0.0000 C 0 0 1 0 0 0 0 0 0 -1.1862 -0.5517 0.0000 C 0 0 1 0 0 0 0 0 0 -0.5345 -1.7207 0.0000 C 0 0 1 0 0 0 0 0 0 0.1448 0.2207 0.0000 C 0 0 1 0 0 0 0 0 0 1.4724 -0.5517 0.0000 C 0 0 0 0 0 0 0 0 0 -1.8448 -0.9379 0.0000 C 0 0 2 0 0 0 0 0 0 -1.1931 0.2138 0.0000 C 0 0 0 0 0 0 0 0 0 -1.1828 -2.0793 0.0000 C 0 0 0 0 0 0 0 0 0 0.1069 -2.1069 0.0000 O 0 0 0 0 0 0 0 0 0 0.8103 0.6069 0.0000 C 0 0 2 0 0 0 0 0 0 -0.5276 0.6034 0.0000 C 0 0 2 0 0 0 0 0 0 0.1517 1.1138 0.0000 C 0 0 0 0 0 0 0 0 0 1.4724 0.2172 0.0000 C 0 0 0 0 0 0 0 0 0 -1.8448 -1.6965 0.0000 C 0 0 2 0 0 0 0 0 0 -2.5035 -0.5655 0.0000 C 0 0 0 0 0 0 0 0 0 -1.8897 -0.1897 0.0000 C 0 0 0 0 0 0 0 0 0 0.8138 1.3552 0.0000 C 0 0 1 0 0 0 0 0 0 -0.5345 1.3517 0.0000 O 0 0 0 0 0 0 0 0 0 -2.5035 -2.0793 0.0000 C 0 0 0 0 0 0 0 0 0 -3.1517 -0.9379 0.0000 C 0 0 0 0 0 0 0 0 0 1.4621 1.7276 0.0000 C 0 0 0 0 0 0 0 0 0 -0.0241 2.0414 0.0000 C 0 0 0 0 0 0 0 0 0 -3.1517 -1.6965 0.0000 C 0 0 1 0 0 0 0 0 0 2.1103 1.3517 0.0000 C 0 0 0 0 0 0 0 0 0 -3.8034 -2.0690 0.0000 O 0 0 0 0 0 0 0 0 0 2.7621 1.7241 0.0000 C 0 0 0 0 0 0 0 0 0 3.4103 1.3483 0.0000 C 0 0 3 0 0 0 0 0 0 4.0621 1.7207 0.0000 C 0 0 0 0 0 0 0 0 0 3.4069 0.5966 0.0000 C 0 0 0 0 0 0 0 0 0 4.0655 2.4690 0.0000 O 0 0 0 0 0 0 0 0 0 -0.5276 -0.1793 0.0000 H 0 0 0 0 0 0 0 0 0 0.1414 -1.2931 0.0000 H 0 0 0 0 0 0 0 0 0 -1.1897 -1.3000 0.0000 H 0 0 0 0 0 0 0 0 0 1.5552 0.6069 0.0000 H 0 0 0 0 0 0 0 0 0 -1.8483 -2.4483 0.0000 H 0 0 0 0 0 0 0 0 0 0.8103 2.1069 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 6 0 0 5 11 1 0 0 0 5 12 1 0 0 0 5 13 1 1 0 0 6 14 1 0 0 0 7 15 1 0 0 0 7 16 1 0 0 0 7 17 1 1 0 0 11 18 1 0 0 0 12 19 1 6 0 0 15 20 1 0 0 0 16 21 1 0 0 0 18 22 1 0 0 0 18 23 1 6 0 0 20 24 1 0 0 0 22 25 1 0 0 0 24 26 1 6 0 0 25 27 1 0 0 0 27 28 1 0 0 0 28 29 1 0 0 0 28 30 1 0 0 0 29 31 2 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 1 32 1 1 0 0 2 33 1 6 0 0 3 34 1 6 0 0 11 35 1 6 0 0 15 36 1 1 0 0 18 37 1 1 0 0 M END