KEGG:C06423 Octanoic acid ISISHOST03240423142D 1 1.00000 0.00000 5494 10 9 0 0 0 999 V2000 -0.5034 0.1241 0.0000 C 0 0 0 0 0 0 0 0 0 0.2172 -0.2897 0.0000 C 0 0 0 0 0 0 0 0 0 -1.2207 -0.2897 0.0000 C 0 0 0 0 0 0 0 0 0 0.9345 0.1241 0.0000 C 0 0 0 0 0 0 0 0 0 -1.9414 0.1241 0.0000 C 0 0 0 0 0 0 0 0 0 1.6517 -0.2897 0.0000 C 0 0 0 0 0 0 0 0 0 -2.6586 -0.2897 0.0000 O 0 0 0 0 0 0 0 0 0 -1.9414 0.9552 0.0000 O 0 0 0 0 0 0 0 0 0 2.3724 0.1241 0.0000 C 0 0 0 0 0 0 0 0 0 3.0862 -0.2897 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 4 6 1 0 0 0 5 7 1 0 0 0 5 8 2 0 0 0 6 9 1 0 0 0 9 10 1 0 0 0 M END