KEGG:C08380 Heptan-2-one ISISHOST03240423192D 1 1.00000 0.00000 7421 8 7 0 0 0 999 V2000 -0.5448 -0.2931 0.0000 C 0 0 0 0 0 0 0 0 0 0.1828 0.0966 0.0000 C 0 0 0 0 0 0 0 0 0 -1.2483 0.1414 0.0000 C 0 0 0 0 0 0 0 0 0 0.8828 -0.3379 0.0000 C 0 0 0 0 0 0 0 0 0 -1.9724 -0.2483 0.0000 C 0 0 0 0 0 0 0 0 0 -1.2207 0.9655 0.0000 O 0 0 0 0 0 0 0 0 0 1.6103 0.0552 0.0000 C 0 0 0 0 0 0 0 0 0 2.3103 -0.3828 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