Mol:BMMCBZ2Mk002

 
 
Copyright: ARM project http://www.metabolome.jp/ 
 12 12  0  0  0  0  0  0  0  0999 V2000 
    4.5981    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 
    4.5981   -1.0000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
    5.4641   -0.5000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
    5.4641    0.5000    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 
    2.8660   -2.0000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
    2.0000   -2.5000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
    5.4641    2.5000    0.0000 O   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 
    2.8660   -1.0000    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0 
  6  1  2  0  0  0  0 
  6  5  1  0  0  0  0 
  5  4  2  0  0  0  0 
  4  3  1  0  0  0  0 
  3  2  2  0  0  0  0 
  2  1  1  0  0  0  0 
  7 11  1  0  0  0  0 
  7 10  2  0  0  0  0 
  1  7  1  0  0  0  0 
  3 12  1  0  0  0  0 
 12  8  1  0  0  0  0 
  8  9  1  0  0  0  0 
S  SKP  7 
ID	BMMCBZ2Mk002 
NAME	3-Ethoxy-benzoic acid 
FORMULA	C9H10O3 
EXACTMASS	166.0629 
AVERAGEMASS	166.1739 
SMILES	CCOc(c1)cc(cc1)C(O)=O 
KEGG	http://www.genome.jp/dbget-bin/www_bget?compound+C02363 
M  END