Mol:BMMCHC--k014
From Metabolomics.JP
<pre>
Copyright: ARM project http://www.metabolome.jp/
13 13 0 0 0 0 0 0 0 0999 V2000
3.7321 -0.5000 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
4.5981 -1.0000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
5.4641 -0.5000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
5.4641 0.5000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
4.5981 1.0000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
3.7321 0.5000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
6.3301 1.0000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
2.8660 1.0000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
4.5981 -2.0000 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
2.8660 2.0000 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
2.0000 0.5000 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
6.3301 2.0000 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
7.1962 0.5000 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
5 4 1 0 0 0 0
5 6 2 0 0 0 0
6 1 1 0 0 0 0
1 2 1 0 0 0 0
2 3 1 0 0 0 0
3 4 2 0 0 0 0
2 9 2 0 0 0 0
4 7 1 0 0 0 0
6 8 1 0 0 0 0
8 10 1 0 0 0 0
8 11 2 0 0 0 0
7 12 1 0 0 0 0
7 13 2 0 0 0 0
S SKP 7
ID BMMCHC--k014
NAME 2-Pyrone-4,6-dicarboxylic acid
FORMULA C7H4O6
EXACTMASS 184.0007
AVERAGEMASS 184.103
SMILES OC(=O)C(=C1)C=C(OC(=O)1)C(O)=O
KEGG http://www.genome.jp/dbget-bin/www_bget?compound+C03671
M END
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