Mol:BMMCBZ1Sg020

<pre>

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

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