KEGG:C02538 Estrone 3-sulfate ISISHOST03240423062D 1 1.00000 0.00000 2271 24 27 0 0 0 999 V2000 1.0552 -0.0897 0.0000 C 0 0 3 0 0 0 0 0 0 0.3931 0.2931 0.0000 C 0 0 3 0 0 0 0 0 0 1.7207 0.3000 0.0000 C 0 0 3 0 0 0 0 0 0 1.0621 -0.8552 0.0000 C 0 0 0 0 0 0 0 0 0 -0.2655 -0.0931 0.0000 C 0 0 0 0 0 0 0 0 0 0.4069 1.0897 0.0000 C 0 0 0 0 0 0 0 0 0 1.7241 1.0690 0.0000 C 0 0 3 0 0 0 0 0 0 3.0517 0.2931 0.0000 C 0 0 0 0 0 0 0 0 0 0.4000 -1.2310 0.0000 C 0 0 0 0 0 0 0 0 0 -0.2655 -0.8517 0.0000 C 0 0 0 0 0 0 0 0 0 -0.9207 0.2828 0.0000 C 0 0 0 0 0 0 0 0 0 1.0517 1.4483 0.0000 C 0 0 0 0 0 0 0 0 0 2.3897 1.4517 0.0000 C 0 0 0 0 0 0 0 0 0 1.6965 1.8655 0.0000 C 0 0 0 0 0 0 0 0 0 3.0552 1.0621 0.0000 C 0 0 0 0 0 0 0 0 0 -0.9207 -1.2345 0.0000 C 0 0 0 0 0 0 0 0 0 -1.5724 -0.0931 0.0000 C 0 0 0 0 0 0 0 0 0 2.3862 2.2552 0.0000 O 0 0 0 0 0 0 0 0 0 -1.5724 -0.8517 0.0000 C 0 0 0 0 0 0 0 0 0 -2.2241 -1.2241 0.0000 O 0 0 0 0 0 0 0 0 0 -2.9759 -1.2207 0.0000 S 0 0 3 0 0 0 0 0 0 -2.9759 -0.4724 0.0000 O 0 0 0 0 0 0 0 0 0 -3.7241 -1.2207 0.0000 O 0 0 0 0 0 0 0 0 0 -2.9793 -1.9724 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 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 5 10 2 0 0 0 5 11 1 0 0 0 6 12 1 0 0 0 7 13 1 0 0 0 7 14 1 0 0 0 8 15 1 0 0 0 10 16 1 0 0 0 11 17 2 0 0 0 13 18 2 0 0 0 16 19 2 0 0 0 19 20 1 0 0 0 20 21 1 0 0 0 21 22 1 0 0 0 21 23 2 0 0 0 21 24 2 0 0 0 7 12 1 0 0 0 9 10 1 0 0 0 13 15 1 0 0 0 17 19 1 0 0 0 M END