Mol:BMFYS6SAq003
From Metabolomics.JP
<pre> Copyright: ARM project http://www.metabolome.jp/ 10 9 0 0 0 0 0 0 0 0999 V2000 4.5981 1.7500 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.7321 1.2500 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.7321 0.2500 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.8660 -0.2500 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.8660 -1.2500 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.0000 -1.7500 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.4641 1.2500 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 4.5981 2.7500 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 2.8660 1.7500 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 2.0000 -2.7500 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 2 3 2 0 0 0 0 3 4 1 0 0 0 0 4 5 2 0 0 0 0 5 6 1 0 0 0 0 2 9 1 0 0 0 0 6 10 2 0 0 0 0 1 7 1 0 0 0 0 1 8 2 0 0 0 0 2 1 1 0 0 0 0 S SKP 7 ID BMFYS6SAq003 NAME 2-Hydroxy-muconate semialdehyde FORMULA C6H6O4 EXACTMASS 142.0266 AVERAGEMASS 142.1094 SMILES O=CC=CC=C(O)C(O)=O KEGG http://www.genome.jp/dbget-bin/www_bget?compound+C00682 M END
</pre>