Source: Brenda (C. Rea)^Converter: smi2mol (Daylight 4.6) SMI2MOL COc1ccc(cc1)C2CC(=O)c3c(O)cc(O)cc3O2 21 23 0 0 0 0 1 V2000 -4.4900 1.8800 0.0000 C 0 0 0 0 0 0 -3.5100 2.1500 0.0000 O 0 0 0 0 0 0 -2.5300 2.4200 0.0000 C 0 0 0 0 0 0 -1.8400 1.6800 0.0000 C 0 0 0 0 0 0 -0.8600 1.9500 0.0000 C 0 0 0 0 0 0 -0.5900 2.9300 0.0000 C 0 0 0 0 0 0 -1.3000 3.6500 0.0000 C 0 0 0 0 0 0 -2.2700 3.3900 0.0000 C 0 0 0 0 0 0 0.3900 3.1900 0.0000 C 0 0 0 0 0 0 0.6100 4.1300 0.0000 C 0 0 0 0 0 0 1.5900 4.4000 0.0000 C 0 0 0 0 0 0 1.8500 5.3800 0.0000 O 0 0 0 0 0 0 2.3100 3.6900 0.0000 C 0 0 0 0 0 0 3.3000 3.9600 0.0000 C 0 0 0 0 0 0 3.5600 4.9400 0.0000 O 0 0 0 0 0 0 4.0300 3.2400 0.0000 C 0 0 0 0 0 0 3.7700 2.2600 0.0000 C 0 0 0 0 0 0 4.4900 1.5300 0.0000 O 0 0 0 0 0 0 2.7900 2.0000 0.0000 C 0 0 0 0 0 0 2.0700 2.7300 0.0000 C 0 0 0 0 0 0 1.1000 2.4700 0.0000 O 0 0 0 0 0 0 1 2 1 0 2 3 1 0 3 8 1 0 3 4 2 0 4 5 1 0 5 6 2 0 6 7 1 0 7 8 2 0 6 9 1 0 9 21 1 0 9 10 1 0 10 11 1 0 11 12 2 0 11 13 1 0 13 20 1 0 13 14 2 0 14 15 1 0 14 16 1 0 16 17 2 0 17 18 1 0 17 19 1 0 19 20 2 0 20 21 1 0 M END