Source: Brenda (C. Rea)^Converter: smi2mol (Daylight 4.6) SMI2MOL CCC(O)C(=O)O 7 6 0 0 0 0 1 V2000 1.8300 2.7100 0.0000 C 0 0 0 0 0 0 0.8500 2.9700 0.0000 C 0 0 0 0 0 0 -0.1300 3.2300 0.0000 C 0 0 0 0 0 0 -0.3900 4.2100 0.0000 O 0 0 0 0 0 0 -0.8500 2.5100 0.0000 C 0 0 0 0 0 0 -1.8300 2.7800 0.0000 O 0 0 0 0 0 0 -0.5800 1.5300 0.0000 O 0 0 0 0 0 0 1 2 1 0 2 3 1 0 3 4 1 0 3 5 1 0 5 6 2 0 5 7 1 0 M END