KEGG:C01181 4-Trimethylammoniobutanoate ISISHOST03240423032D 1 1.00000 0.00000 1110 10 9 0 0 0 999 V2000 -1.0621 -0.0552 0.0000 N 0 3 3 0 0 0 0 0 0 -0.4103 -0.4310 0.0000 C 0 0 0 0 0 0 0 0 0 -1.9517 -0.4310 0.0000 C 0 0 0 0 0 0 0 0 0 -1.0690 0.8655 0.0000 C 0 0 0 0 0 0 0 0 0 -1.9828 0.3241 0.0000 C 0 0 0 0 0 0 0 0 0 0.2448 -0.0552 0.0000 C 0 0 0 0 0 0 0 0 0 0.9034 -0.4310 0.0000 C 0 0 0 0 0 0 0 0 0 1.5552 -0.0552 0.0000 C 0 0 0 0 0 0 0 0 0 2.2172 -0.4310 0.0000 O 0 0 0 0 0 0 0 0 0 1.5552 0.7034 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 1 5 1 0 0 0 2 6 1 0 0 0 6 7 1 0 0 0 7 8 1 0 0 0 8 9 1 0 0 0 8 10 2 0 0 0 M CHG 1 1 1 M END