Source: Brenda (C. Rea)^Converter: smi2mol (Daylight 4.6) SMI2MOL COc1cc(/C=C/C(=O)NCCc2ccc(O)cc2)ccc1O 23 24 0 0 0 0 1 V2000 -3.5150 1.5300 0.0000 C 0 0 0 0 0 0 -3.5150 2.5400 0.0000 O 0 0 0 0 0 0 -3.5150 3.5500 0.0000 C 0 0 0 0 0 0 -2.6350 4.0300 0.0000 C 0 0 0 0 0 0 -2.6250 5.0400 0.0000 C 0 0 0 0 0 0 -1.7450 5.5400 0.0000 C 0 0 0 0 0 0 -1.7450 6.5500 0.0000 C 0 0 0 0 0 0 -0.8650 7.0500 0.0000 C 0 0 0 0 0 0 -0.8650 8.0600 0.0000 O 0 0 0 0 0 0 0.0150 6.5300 0.0000 N 0 0 0 0 0 0 0.8950 6.0100 0.0000 C 0 0 0 0 0 0 1.7750 5.4900 0.0000 C 0 0 0 0 0 0 2.6550 4.9700 0.0000 C 0 0 0 0 0 0 2.6250 3.9400 0.0000 C 0 0 0 0 0 0 3.5050 3.4400 0.0000 C 0 0 0 0 0 0 4.3850 3.9500 0.0000 C 0 0 0 0 0 0 5.2650 3.4300 0.0000 O 0 0 0 0 0 0 4.3950 4.9600 0.0000 C 0 0 0 0 0 0 3.5250 5.4700 0.0000 C 0 0 0 0 0 0 -3.4950 5.5500 0.0000 C 0 0 0 0 0 0 -4.3750 5.0500 0.0000 C 0 0 0 0 0 0 -4.3850 4.0500 0.0000 C 0 0 0 0 0 0 -5.2650 3.5400 0.0000 O 0 0 0 0 0 0 1 2 1 0 2 3 1 0 3 22 1 0 3 4 2 0 4 5 1 0 5 6 1 0 6 7 2 0 7 8 1 0 8 9 2 0 8 10 1 0 10 11 1 0 11 12 1 0 12 13 1 0 13 19 1 0 13 14 2 0 14 15 1 0 15 16 2 0 16 17 1 0 16 18 1 0 18 19 2 0 5 20 2 0 20 21 1 0 21 22 2 0 22 23 1 0 M END