873 -OEChem-12200711102D 22 22 0 0 0 0 0 0 0999 V2000 2.5369 -0.8100 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 6.0010 2.1900 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 4.2690 2.1900 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 4.2690 0.1900 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.2690 -0.8100 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.1350 0.6900 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.4030 -1.3100 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.1350 -1.3100 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.4030 -2.3100 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.1350 -2.3100 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.2690 -2.8100 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.1350 1.6900 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.0569 0.7726 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 3.6584 0.0823 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 5.3471 0.1074 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 5.7456 0.7977 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 5.6719 -1.0000 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 2.8660 -2.6200 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 5.6719 -2.6200 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 4.2690 -3.4300 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 2.0000 -1.1200 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 6.0010 2.8100 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 1 7 1 0 0 0 0 1 21 1 0 0 0 0 2 12 1 0 0 0 0 2 22 1 0 0 0 0 3 12 2 0 0 0 0 4 5 1 0 0 0 0 4 6 1 0 0 0 0 4 13 1 0 0 0 0 4 14 1 0 0 0 0 5 7 1 0 0 0 0 5 8 2 0 0 0 0 6 12 1 0 0 0 0 6 15 1 0 0 0 0 6 16 1 0 0 0 0 7 9 2 0 0 0 0 8 10 1 0 0 0 0 8 17 1 0 0 0 0 9 11 1 0 0 0 0 9 18 1 0 0 0 0 10 11 2 0 0 0 0 10 19 1 0 0 0 0 11 20 1 0 0 0 0 M END > 1 > 873 > 1 > 156 > 3 > 2 > 3 > AAADccBwMAAAAAAAAAAAAAAAAAAAAAAAAAAwAAAAAAAAAAABAAAAGgAACAAADASAmAAwDoAAAgCIAiDSCAACAAAgIAAIiAEGCIgIJjKCERKAcAAkwBEImAeI7KTOAAAAAAAIAAAAAAAAABAAAAAAAAAAAA== > 3-(2-hydroxyphenyl)propanoic acid > 3-(2-hydroxyphenyl)propanoic acid > 3-(2-hydroxyphenyl)propanoic acid > 3-(2-hydroxyphenyl)propanoic acid > 3-(2-hydroxyphenyl)propionic acid > InChI=1/C9H10O3/c10-8-4-2-1-3-7(8)5-6-9(11)12/h1-4,10H,5-6H2,(H,11,12)/f/h11H > 1.2 > 166.062994 > C9H10O3 > 166.1739 > C1=CC=C(C(=C1)CCC(=O)O)O > C1=CC=C(C(=C1)CCC(=O)O)O > 57.5 > 166.062994 > 0 > 12 > 0 > 0 > 0 > 0 > 0 > 1 > 3 > 4423 > 2 > KEGG > C01198 > Is a reactant or product of enzyme EC 1.3.1.11 Is a reactant or product of enzyme EC 1.14.13.4 Is a reactant or product of enzyme EC 3.1.1.35 > 2-Hydroxyphenylpropanoate 3-(2-Hydroxyphenyl)propanoate 3-(2-Hydroxyphenyl)propionate 3-(2-Hydroxyphenyl)propionic acid 495-78-3 C01198 Melilotate > 495-78-3 > C01198 > http://www.genome.jp/kegg/kegg2.html > http://www.genome.jp/dbget-bin/www_bget?cpd+C01198 > 873 1 > 10 11 8 5 7 8 5 8 8 7 9 8 8 10 8 9 11 8 $$$$