Source: Brenda (C. Rea)^Converter: smi2mol (Daylight 4.6) SMI2MOL O=Cc1ccco1 7 7 0 0 0 0 1 V2000 -1.8000 2.8800 0.0000 O 0 0 0 0 0 0 -0.8100 2.6700 0.0000 C 0 0 0 0 0 0 0.1800 2.4600 0.0000 C 0 0 0 0 0 0 0.5800 1.5300 0.0000 C 0 0 0 0 0 0 1.5900 1.6300 0.0000 C 0 0 0 0 0 0 1.8000 2.6200 0.0000 C 0 0 0 0 0 0 0.9300 3.1300 0.0000 O 0 0 0 0 0 0 1 2 2 0 2 3 1 0 3 7 1 0 3 4 2 0 4 5 1 0 5 6 2 0 6 7 1 0 M END