Mol:BMMCBZ1Sj049

 
 
Copyright: ARM project http://www.metabolome.jp/ 
 12 12  0  0  0  0  0  0  0  0999 V2000 
    2.8660    2.0000    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 
    3.7321    0.5000    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 
    2.8660   -1.0000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
    2.8660   -2.0000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
    3.7321   -2.5000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
    4.5981   -2.0000    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    2.5000    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0 
    2.0000    2.5000    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 
  9  4  2  0  0  0  0 
  9  8  1  0  0  0  0 
  8  7  2  0  0  0  0 
  7  6  1  0  0  0  0 
  6  5  2  0  0  0  0 
  5  4  1  0  0  0  0 
  4  3  1  0  0  0  0 
  3  2  1  0  0  0  0 
  1 10  1  0  0  0  0 
  1 11  2  0  0  0  0 
  2  1  1  0  0  0  0 
  2 12  2  0  0  0  0 
S  SKP  7 
ID	BMMCBZ1Sj049 
NAME	Phenyl-pyruvic acid 
FORMULA	C9H8O3 
EXACTMASS	164.0473 
AVERAGEMASS	164.158 
SMILES	OC(=O)C(=O)Cc(c1)cccc1 
KEGG	http://www.genome.jp/dbget-bin/www_bget?compound+C00166 
M  END