Source: Brenda (C. Rea)^Converter: smi2mol (Daylight 4.6) SMI2MOL CC(N)(Cc1ccc(O)c(O)c1)C(=O)O 15 15 0 0 0 0 1 V2000 1.5600 1.5300 0.0000 C 0 0 0 0 0 0 1.8200 2.5100 0.0000 C 0 0 0 0 0 0 2.8000 2.2400 0.0000 N 0 0 0 0 0 0 0.8400 2.7700 0.0000 C 0 0 0 0 0 0 -0.1400 3.0300 0.0000 C 0 0 0 0 0 0 -0.3800 3.9800 0.0000 C 0 0 0 0 0 0 -1.3600 4.2500 0.0000 C 0 0 0 0 0 0 -2.0800 3.5400 0.0000 C 0 0 0 0 0 0 -3.0600 3.8000 0.0000 O 0 0 0 0 0 0 -1.8200 2.5700 0.0000 C 0 0 0 0 0 0 -2.5400 1.8400 0.0000 O 0 0 0 0 0 0 -0.8500 2.3100 0.0000 C 0 0 0 0 0 0 2.0800 3.4900 0.0000 C 0 0 0 0 0 0 3.0600 3.7500 0.0000 O 0 0 0 0 0 0 1.3600 4.2100 0.0000 O 0 0 0 0 0 0 1 2 1 0 2 3 1 0 2 4 1 0 4 5 1 0 5 12 1 0 5 6 2 0 6 7 1 0 7 8 2 0 8 9 1 0 8 10 1 0 10 11 1 0 10 12 2 0 2 13 1 0 13 14 2 0 13 15 1 0 M END