Mol:BMFYB5DAr009
From Metabolomics.JP
<pre>
Copyright: ARM project http://www.metabolome.jp/
12 11 0 0 1 0 0 0 0 0999 V2000
5.4641 1.2500 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
4.5981 0.7500 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
4.5981 -0.2500 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
3.7321 -0.7500 0.0000 C 0 0 3 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
3.2321 0.1160 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
6.3301 0.7500 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
5.4641 2.2500 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
2.0000 -0.7500 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
2.8660 -2.2500 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
3.7321 1.2500 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
4.2320 -1.6160 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
3 2 1 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
3 4 1 0 0 0 0
5 9 1 0 0 0 0
5 10 2 0 0 0 0
4 5 1 0 0 0 0
2 11 2 0 0 0 0
4 6 1 4 0 0 0
4 12 1 0 0 0 0
S SKP 7
ID BMFYB5DAr009
NAME 4-Hydroxy-4-methyl-2-oxo-glutaric acid
FORMULA C6H8O6
EXACTMASS 176.032
AVERAGEMASS 176.1241
SMILES OC(=O)C(=O)CC(C)(O)C(O)=O
KEGG http://www.genome.jp/dbget-bin/www_bget?compound+C04184
M END
</pre>
