KEGG:C05473 11beta,21-Dihydroxy-3,20-oxo-5beta-pregnan-18-al ISISHOST03240423122D 1 1.00000 0.00000 4644 26 29 0 0 0 999 V2000 1.6655 0.9793 0.0000 C 0 0 3 0 0 0 0 0 0 1.6517 -0.5034 0.0000 C 0 0 3 0 0 0 0 0 0 3.0828 1.4276 0.0000 C 0 0 3 0 0 0 0 0 0 0.3345 1.7345 0.0000 C 0 0 0 0 0 0 0 0 0 1.9759 2.4621 0.0000 C 0 0 0 0 0 0 0 0 0 0.3345 -1.2448 0.0000 C 0 0 3 0 0 0 0 0 0 3.0621 -0.9517 0.0000 C 0 0 0 0 0 0 0 0 0 3.9069 0.2517 0.0000 C 0 0 0 0 0 0 0 0 0 3.7241 2.7897 0.0000 C 0 0 0 0 0 0 0 0 0 -0.9586 0.9931 0.0000 C 0 0 3 0 0 0 0 0 0 0.9034 3.5379 0.0000 O 0 0 0 0 0 0 0 0 0 -0.9586 -0.5034 0.0000 C 0 0 3 0 0 0 0 0 0 0.3345 -2.7517 0.0000 C 0 0 0 0 0 0 0 0 0 5.2035 2.9276 0.0000 C 0 0 0 0 0 0 0 0 0 2.8621 4.0138 0.0000 O 0 0 0 0 0 0 0 0 0 -2.2690 1.7517 0.0000 O 0 0 0 0 0 0 0 0 0 -2.2690 -1.2448 0.0000 C 0 0 3 0 0 0 0 0 0 -0.9586 -3.4931 0.0000 C 0 0 0 0 0 0 0 0 0 6.0483 1.7000 0.0000 O 0 0 0 0 0 0 0 0 0 -2.2828 -2.7241 0.0000 C 0 0 3 0 0 0 0 0 0 -3.5621 -0.5034 0.0000 C 0 0 0 0 0 0 0 0 0 -2.2690 0.2517 0.0000 C 0 0 0 0 0 0 0 0 0 -3.5759 -3.4690 0.0000 C 0 0 0 0 0 0 0 0 0 -4.8724 -1.2448 0.0000 C 0 0 0 0 0 0 0 0 0 -4.8862 -2.7241 0.0000 C 0 0 0 0 0 0 0 0 0 -6.2276 -3.4690 0.0000 O 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 1 5 1 0 0 0 2 6 1 0 0 0 2 7 1 0 0 0 3 8 1 0 0 0 3 9 1 0 0 0 4 10 1 0 0 0 5 11 2 0 0 0 6 12 1 0 0 0 6 13 1 0 0 0 9 14 1 0 0 0 9 15 2 0 0 0 10 16 1 0 0 0 12 17 1 0 0 0 13 18 1 0 0 0 14 19 1 0 0 0 17 20 1 0 0 0 17 21 1 0 0 0 17 22 1 0 0 0 20 23 1 0 0 0 21 24 1 0 0 0 23 25 1 0 0 0 25 26 2 0 0 0 7 8 1 0 0 0 10 12 1 0 0 0 18 20 1 0 0 0 24 25 1 0 0 0 M END