12122 -OEChem-12200712182D 19 19 0 0 0 0 0 0 0999 V2000 2.0000 -2.0950 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 4.5981 2.4050 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 5.4641 0.9050 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 3.7321 -0.0950 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.7321 0.9050 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.8660 -0.5950 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.5981 -0.5950 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.8660 -1.5950 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.5981 -1.5950 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.7321 -2.0950 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.5981 1.4050 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.5200 1.4876 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 3.1215 0.7973 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 2.3291 -0.2850 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 5.1350 -0.2850 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 5.1350 -1.9050 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 3.7321 -2.7150 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 2.0000 -2.7150 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 5.1350 2.7150 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 1 8 1 0 0 0 0 1 18 1 0 0 0 0 2 11 1 0 0 0 0 2 19 1 0 0 0 0 3 11 2 0 0 0 0 4 5 1 0 0 0 0 4 6 2 0 0 0 0 4 7 1 0 0 0 0 5 11 1 0 0 0 0 5 12 1 0 0 0 0 5 13 1 0 0 0 0 6 8 1 0 0 0 0 6 14 1 0 0 0 0 7 9 2 0 0 0 0 7 15 1 0 0 0 0 8 10 2 0 0 0 0 9 10 1 0 0 0 0 9 16 1 0 0 0 0 10 17 1 0 0 0 0 M END > 1 > 12122 > 1 > 144 > 3 > 2 > 2 > AAADccBwMAAAAAAAAAAAAAAAAAAAAAAAAAAwAAAAAAAAAAABAAAAGgAACAAADASAmAAwDoAAAgCIAiDSCAACAAAgIAAIiAEGCIgIJjKCFRKAcAAkwBEImAeI7LTOAAABAAAAAAAAAAIAAAAAAAAAAAAAAA== > 2-(3-hydroxyphenyl)acetic acid > 2-(3-hydroxyphenyl)acetic acid > 2-(3-hydroxyphenyl)acetic acid > 2-(3-hydroxyphenyl)ethanoic acid > 2-(3-hydroxyphenyl)acetic acid > InChI=1/C8H8O3/c9-7-3-1-2-6(4-7)5-8(10)11/h1-4,9H,5H2,(H,10,11)/f/h10H > 1 > 152.047344 > C8H8O3 > 152.14732 > C1=CC(=CC(=C1)O)CC(=O)O > C1=CC(=CC(=C1)O)CC(=O)O > 57.5 > 152.047344 > 0 > 11 > 0 > 0 > 0 > 0 > 0 > 1 > 12 > 7917 > 2 > KEGG > C05593 > Is a reactant or product of enzyme EC 1.14.13.3 Is a reactant or product of enzyme EC 1.14.13.63 > 3-Hydroxyphenylacetate 621-37-4 C05593 > 621-37-4 > C05593 > http://www.genome.jp/kegg/kegg2.html > http://www.genome.jp/dbget-bin/www_bget?cpd+C05593 > 12122 1 > 4 6 8 4 7 8 6 8 8 7 9 8 8 10 8 9 10 8 $$$$