KEGG:C08276 3-(Methylthio)propionic acid ISISHOST03240423192D 1 1.00000 0.00000 7319 7 6 0 0 0 999 V2000 -0.2034 -0.3552 0.0000 C 0 0 0 0 0 0 0 0 0 -0.9172 0.0586 0.0000 C 0 0 0 0 0 0 0 0 0 0.5103 0.0586 0.0000 C 0 0 0 0 0 0 0 0 0 -1.6345 -0.3552 0.0000 O 0 0 0 0 0 0 0 0 0 -0.9172 0.8828 0.0000 O 0 0 0 0 0 0 0 0 0 1.2241 -0.3552 0.0000 S 0 0 0 0 0 0 0 0 0 1.9379 0.0586 0.0000 C 0 0 0 0 0 0 0 0 0 1 2 1 0 0 0 1 3 1 0 0 0 2 4 1 0 0 0 2 5 2 0 0 0 3 6 1 0 0 0 6 7 1 0 0 0 M END