KEGG:C04044 3-(2,3-Dihydroxyphenyl)propanoate ISISHOST03240423092D 1 1.00000 0.00000 3502 13 13 0 0 0 999 V2000 -0.1517 0.0862 0.0000 C 0 0 0 0 0 0 0 0 0 -0.7966 -0.2862 0.0000 C 0 0 0 0 0 0 0 0 0 -0.1517 0.8379 0.0000 C 0 0 0 0 0 0 0 0 0 0.5000 -0.2897 0.0000 C 0 0 0 0 0 0 0 0 0 -1.4483 0.0862 0.0000 C 0 0 0 0 0 0 0 0 0 -0.7966 -1.0345 0.0000 O 0 0 0 0 0 0 0 0 0 -0.8000 1.2172 0.0000 C 0 0 0 0 0 0 0 0 0 1.1483 0.0862 0.0000 C 0 0 0 0 0 0 0 0 0 -1.4483 0.8345 0.0000 C 0 0 0 0 0 0 0 0 0 -2.0966 -0.2931 0.0000 O 0 0 0 0 0 0 0 0 0 1.7966 -0.2897 0.0000 C 0 0 0 0 0 0 0 0 0 1.7966 -1.0379 0.0000 O 0 0 0 0 0 0 0 0 0 2.4483 0.0862 0.0000 O 0 0 0 0 0 0 0 0 0 1 2 2 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 2 0 0 0 4 8 1 0 0 0 5 9 2 0 0 0 5 10 1 0 0 0 8 11 1 0 0 0 11 12 1 0 0 0 11 13 2 0 0 0 7 9 1 0 0 0 M END