KEGG:C01572 Digallate ISISHOST03240423042D 1 1.00000 0.00000 1441 23 24 0 0 0 999 V2000 0.9931 0.0552 0.0000 C 0 0 0 0 0 0 0 0 0 1.3793 -0.5966 0.0000 C 0 0 0 0 0 0 0 0 0 0.2448 0.0586 0.0000 O 0 0 0 0 0 0 0 0 0 1.3621 0.7103 0.0000 C 0 0 0 0 0 0 0 0 0 2.1310 -0.5966 0.0000 C 0 0 0 0 0 0 0 0 0 -0.5034 0.0586 0.0000 C 0 0 0 0 0 0 0 0 0 2.1207 0.7207 0.0000 C 0 0 0 0 0 0 0 0 0 0.9793 1.3552 0.0000 O 0 0 0 0 0 0 0 0 0 2.5035 0.0655 0.0000 C 0 0 0 0 0 0 0 0 0 2.5103 -1.2448 0.0000 C 0 0 0 0 0 0 0 0 0 -1.2552 0.0483 0.0000 C 0 0 0 0 0 0 0 0 0 -0.5069 0.8069 0.0000 O 0 0 0 0 0 0 0 0 0 2.4862 1.3724 0.0000 O 0 0 0 0 0 0 0 0 0 2.1379 -1.8966 0.0000 O 0 0 0 0 0 0 0 0 0 3.2621 -1.2379 0.0000 O 0 0 0 0 0 0 0 0 0 -1.6276 -0.6138 0.0000 C 0 0 0 0 0 0 0 0 0 -1.6379 0.7034 0.0000 C 0 0 0 0 0 0 0 0 0 -2.3793 -0.6138 0.0000 C 0 0 0 0 0 0 0 0 0 -2.3966 0.6931 0.0000 C 0 0 0 0 0 0 0 0 0 -2.7655 0.0414 0.0000 C 0 0 0 0 0 0 0 0 0 -2.7517 -1.2655 0.0000 O 0 0 0 0 0 0 0 0 0 -2.7793 1.3379 0.0000 O 0 0 0 0 0 0 0 0 0 -3.5138 0.0345 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 2 0 0 0 2 5 2 0 0 0 3 6 1 0 0 0 4 7 1 0 0 0 4 8 1 0 0 0 5 9 1 0 0 0 5 10 1 0 0 0 6 11 1 0 0 0 6 12 2 0 0 0 7 13 1 0 0 0 10 14 1 0 0 0 10 15 2 0 0 0 11 16 1 0 0 0 11 17 2 0 0 0 16 18 2 0 0 0 17 19 1 0 0 0 18 20 1 0 0 0 18 21 1 0 0 0 19 22 1 0 0 0 20 23 1 0 0 0 7 9 2 0 0 0 19 20 2 0 0 0 M END