Mol:BMMCBZ1Sg020

 
 
Copyright: ARM project http://www.metabolome.jp/ 
 15 15  0  0  1  0  0  0  0  0999 V2000 
    3.7321    1.2500    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
    2.8660    1.7500    0.0000 C   0  0  3  0  0  0  0  0  0  0  0  0 
    2.8660    2.7500    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
    3.7321    3.2500    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
    2.0000    1.2500    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 
    4.5981   -1.2500    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
    3.7321   -1.7500    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
    3.7321   -2.7500    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
    4.5981   -3.2500    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
    5.4641   -2.7500    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
    5.4641   -1.7500    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
    3.7321    0.2500    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0 
    4.5981    1.7500    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0 
    2.0000    3.2500    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0 
 11 12  2  0  0  0  0 
 11 10  1  0  0  0  0 
 10  9  2  0  0  0  0 
  9  8  1  0  0  0  0 
  8  7  2  0  0  0  0 
  7 12  1  0  0  0  0 
  7  6  1  0  0  0  0 
  6 13  1  0  0  0  0 
  4  3  1  0  0  0  0 
  3  2  1  0  0  0  0 
  2  1  1  0  0  0  0 
  1 13  1  0  0  0  0 
  1 14  2  0  0  0  0 
  2  5  1  4  0  0  0 
  3 15  2  0  0  0  0 
S  SKP  7 
ID	BMMCBZ1Sg020 
NAME	Benzyl 2-methyl-3-oxo-butanoic acid 
FORMULA	C12H14O3 
EXACTMASS	206.0942 
AVERAGEMASS	206.2377 
SMILES	CC(=O)C(C)C(=O)OCc(c1)cccc1 
KEGG	http://www.genome.jp/dbget-bin/www_bget?compound+C04000 
M  END