KEGG:C01585 Hexanoic acid ISISHOST03240423042D 1 1.00000 0.00000 1452 8 7 0 0 0 999 V2000 -0.5345 -0.3103 0.0000 C 0 0 0 0 0 0 0 0 0 0.1759 0.1034 0.0000 C 0 0 0 0 0 0 0 0 0 -1.2517 0.1034 0.0000 C 0 0 0 0 0 0 0 0 0 0.8931 -0.3103 0.0000 C 0 0 0 0 0 0 0 0 0 -1.9621 -0.3103 0.0000 O 0 0 0 0 0 0 0 0 0 -1.2517 0.9276 0.0000 O 0 0 0 0 0 0 0 0 0 1.6069 0.1034 0.0000 C 0 0 0 0 0 0 0 0 0 2.3207 -0.3103 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 3 5 1 0 0 0 3 6 2 0 0 0 4 7 1 0 0 0 7 8 1 0 0 0 M END