Mol:BMMCBZ2Pk032
From Metabolomics.JP
<pre> Copyright: ARM project http://www.metabolome.jp/ 13 13 0 0 0 0 0 0 0 0999 V2000 3.7321 0.0000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.8660 -0.5000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.8660 -1.5000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.7321 -2.0000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.5981 -1.5000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.5981 -0.5000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.7321 1.0000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.8660 1.5000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.8660 2.5000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.0000 3.0000 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 3.7321 3.0000 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 2.0000 1.0000 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 3.7321 -3.0000 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 8 12 2 0 0 0 0 8 7 1 0 0 0 0 7 1 1 0 0 0 0 9 8 1 0 0 0 0 9 11 2 0 0 0 0 1 2 2 0 0 0 0 2 3 1 0 0 0 0 3 4 2 0 0 0 0 4 5 1 0 0 0 0 5 6 2 0 0 0 0 6 1 1 0 0 0 0 10 9 1 0 0 0 0 4 13 1 0 0 0 0 S SKP 7 ID BMMCBZ2Pk032 NAME 4-Hydroxy-phenyl-pyruvic acid FORMULA C9H8O4 EXACTMASS 180.0422 AVERAGEMASS 180.1574 SMILES Oc(c1)ccc(c1)CC(=O)C(O)=O KEGG http://www.genome.jp/dbget-bin/www_bget?compound+C01179 M END
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