10726 -OEChem-01300816312D 22 22 0 1 0 0 0 0 0999 V2000 2.5369 2.0950 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 4.2690 2.0950 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 5.1350 0.5950 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 3.4030 0.5950 0.0000 C 0 0 3 0 0 0 0 0 0 0 0 0 3.4030 -0.4050 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.5369 1.0950 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.5369 -0.9050 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.2690 -0.9050 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.2690 1.0950 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.5369 -1.9050 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.2690 -1.9050 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.4030 -2.4050 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.4030 1.2150 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 1.9264 1.2027 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 2.3249 0.5124 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 2.0000 -0.5950 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 4.8059 -0.5950 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 2.0000 -2.2150 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 4.8059 -2.2150 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 3.4030 -3.0250 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 2.0000 2.4050 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 4.8059 2.4050 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 1 6 1 0 0 0 0 1 21 1 0 0 0 0 2 9 1 0 0 0 0 2 22 1 0 0 0 0 3 9 2 0 0 0 0 4 5 1 0 0 0 0 4 6 1 0 0 0 0 4 9 1 0 0 0 0 4 13 1 0 0 0 0 5 7 2 0 0 0 0 5 8 1 0 0 0 0 6 14 1 0 0 0 0 6 15 1 0 0 0 0 7 10 1 0 0 0 0 7 16 1 0 0 0 0 8 11 2 0 0 0 0 8 17 1 0 0 0 0 10 12 2 0 0 0 0 10 18 1 0 0 0 0 11 12 1 0 0 0 0 11 19 1 0 0 0 0 12 20 1 0 0 0 0 M END > 1 > 10726 > 1 > 150 > 3 > 2 > 3 > AAADccBwMAAAAAAAAAAAAAAAAAAAAAAAAAAwAAAAAAAAAAABAAAAGgAACAAADQCgmAIwCIAAAgCIAiDSCAACAAAgAAAIiAEAAIgIMDaAFRCAYAAl4AEIiAeIyOCOgAAAAAAAAAAAAAAAAAAAAAAAAAAAAA== > 3-hydroxy-2-phenyl-propanoic acid > 3-hydroxy-2-phenylpropanoic acid > 3-hydroxy-2-phenylpropanoic acid > 3-hydroxy-2-phenyl-propanoic acid > 3-hydroxy-2-phenyl-propionic acid > InChI=1/C9H10O3/c10-6-8(9(11)12)7-4-2-1-3-5-7/h1-5,8,10H,6H2,(H,11,12)/f/h11H > 0.5 > 166.062994 > C9H10O3 > 166.1739 > C1=CC=C(C=C1)C(CO)C(=O)O > C1=CC=C(C=C1)C(CO)C(=O)O > 57.5 > 166.062994 > 0 > 12 > 0 > 1 > 0 > 0 > 0 > 1 > 1 > 4633 > 2 > KEGG > C01456 > Is a reactant or product of enzyme EC 3.1.1.10 > 529-64-6 552-63-6 C01456 Tropate Tropic acid alpha-(Hydroxymethyl)phenylacetic acid > 529-64-6 552-63-6 > C01456 > http://www.genome.jp/kegg/kegg2.html > http://www.genome.jp/dbget-bin/www_bget?cpd+C01456 > 10726 1 > 10 12 8 11 12 8 4 5 3 5 7 8 5 8 8 7 10 8 8 11 8 $$$$