KEGG:C05603 2-Hydroxy-3-(4-hydroxyphenyl)propanoate ISISHOST03240423122D 1 1.00000 0.00000 4744 13 13 0 0 0 999 V2000 2.0483 -0.2379 0.0000 C 0 0 0 0 0 0 0 0 0 3.4138 0.1276 0.0000 C 0 0 0 0 0 0 0 0 0 0.8241 0.4690 0.0000 C 0 0 0 0 0 0 0 0 0 2.0448 -1.6552 0.0000 O 0 0 0 0 0 0 0 0 0 4.4138 -0.8724 0.0000 O 0 0 0 0 0 0 0 0 0 3.7793 1.4966 0.0000 O 0 0 0 0 0 0 0 0 0 -0.5414 0.1000 0.0000 C 0 0 0 0 0 0 0 0 0 -1.2483 -1.1276 0.0000 C 0 0 0 0 0 0 0 0 0 -1.2517 1.3241 0.0000 C 0 0 0 0 0 0 0 0 0 -2.6621 -1.1345 0.0000 C 0 0 0 0 0 0 0 0 0 -2.6655 1.3207 0.0000 C 0 0 0 0 0 0 0 0 0 -3.3724 0.0897 0.0000 C 0 0 0 0 0 0 0 0 0 -4.7897 0.0966 0.0000 O 0 0 0 0 0 0 0 0 0 1 2 1 0 0 0 1 3 2 0 0 0 1 4 1 0 0 0 2 5 1 0 0 0 2 6 2 0 0 0 3 7 1 0 0 0 7 8 1 0 0 0 7 9 2 0 0 0 8 10 2 0 0 0 9 11 1 0 0 0 10 12 1 0 0 0 12 13 1 0 0 0 11 12 2 0 0 0 M END