Mol:BMFYB5DAr006

 
 
Copyright: ARM project http://www.metabolome.jp/ 
 11 10  0  0  0  0  0  0  0  0999 V2000 
    2.8660   -1.5000    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 
    3.7321   -0.0000    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 
    4.5981    1.5000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
    4.2321   -0.8660    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
    3.7321   -2.0000    0.0000 O   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 
    3.2321    0.8660    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0 
    3.7321    2.0000    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0 
    5.4641    2.0000    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0 
  3  4  1  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  9  1  0  0  0  0 
  3  6  1  0  0  0  0 
  5 10  1  0  0  0  0 
  5 11  2  0  0  0  0 
  4  5  1  0  0  0  0 
S  SKP  7 
ID	BMFYB5DAr006 
NAME	3-Hydroxy-3-methyl-glutaric acid 
FORMULA	C6H10O5 
EXACTMASS	162.0528 
AVERAGEMASS	162.1406 
SMILES	OC(=O)CC(C)(O)CC(O)=O 
KEGG	http://www.genome.jp/dbget-bin/www_bget?compound+C03761 
M  END