Mol:BMMCBZ2Pk037

 
 
Copyright: ARM project http://www.metabolome.jp/ 
 10 10  0  0  0  0  0  0  0  0999 V2000 
    2.8660    0.7500    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
    2.0000    0.2500    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
    2.0000   -0.7500    0.0000 C   0  0  0  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 
    3.7321   -0.7500    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
    3.7321    0.2500    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
    2.8660    1.7500    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
    3.7321    2.2500    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0 
    2.0000    2.2500    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0 
    2.8660   -2.2500    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
  5  6  1  0  0  0  0 
  6  1  2  0  0  0  0 
  1  2  1  0  0  0  0 
  1  7  1  0  0  0  0 
  2  3  2  0  0  0  0 
  7  8  1  0  0  0  0 
  3  4  1  0  0  0  0 
  7  9  2  0  0  0  0 
  4  5  2  0  0  0  0 
  4 10  1  0  0  0  0 
S  SKP  7 
ID	BMMCBZ2Pk037 
NAME	4-Methyl-benzoic acid 
FORMULA	C8H8O2 
EXACTMASS	136.0524 
AVERAGEMASS	136.1479 
SMILES	Cc(c1)ccc(c1)C(O)=O 
KEGG	http://www.genome.jp/dbget-bin/www_bget?compound+C01454 
M  END