Mol:BMFYB5DAr009

 
 
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