Source: Brenda (C. Rea)^Converter: smi2mol (Daylight 4.6) SMI2MOL CC(=O)CC(=O)c1ccccc1 12 12 0 0 0 0 1 V2000 2.6700 3.6900 0.0000 C 0 0 0 0 0 0 1.6900 3.9500 0.0000 C 0 0 0 0 0 0 1.4300 4.9300 0.0000 O 0 0 0 0 0 0 0.9700 3.2300 0.0000 C 0 0 0 0 0 0 0.2500 2.5100 0.0000 C 0 0 0 0 0 0 0.5200 1.5300 0.0000 O 0 0 0 0 0 0 -0.7300 2.7800 0.0000 C 0 0 0 0 0 0 -0.9700 3.7600 0.0000 C 0 0 0 0 0 0 -1.9500 4.0300 0.0000 C 0 0 0 0 0 0 -2.6700 3.3200 0.0000 C 0 0 0 0 0 0 -2.4100 2.3400 0.0000 C 0 0 0 0 0 0 -1.4400 2.0700 0.0000 C 0 0 0 0 0 0 1 2 1 0 2 3 2 0 2 4 1 0 4 5 1 0 5 6 2 0 5 7 1 0 7 12 1 0 7 8 2 0 8 9 1 0 9 10 2 0 10 11 1 0 11 12 2 0 M END