Mol:BMMCBZ3Sj023
From Metabolomics.JP
<pre>
Copyright: ARM project http://www.metabolome.jp/
14 14 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
4.5981 1.5000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
4.5981 2.5000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
2.0000 -2.0000 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
5.4641 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
5.4641 3.0000 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
7 8 1 0 0 0 0
9 13 1 0 0 0 0
9 14 2 0 0 0 0
8 9 1 0 0 0 0
8 12 2 0 0 0 0
1 2 2 0 0 0 0
1 6 1 0 0 0 0
6 5 2 0 0 0 0
5 4 1 0 0 0 0
4 3 2 0 0 0 0
3 2 1 0 0 0 0
7 1 1 0 0 0 0
3 10 1 0 0 0 0
4 11 1 0 0 0 0
S SKP 7
ID BMMCBZ3Sj023
NAME 3,4-Dihydroxy-phenyl-pyruvic acid
FORMULA C9H8O5
EXACTMASS 196.0371
AVERAGEMASS 196.1568
SMILES OC(=O)C(=O)Cc(c1)cc(O)c(O)c1
KEGG http://www.genome.jp/dbget-bin/www_bget?compound+C04045
M END
</pre>
