Mol:BMMCBZ2Pk037

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BMMCBZ2Pk037.png

<pre>

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

</pre>

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