Mol:BMMCACCHp016

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BMMCACCHp016.png

<pre>

Copyright: ARM project http://www.metabolome.jp/
  8  8  0  0  0  0  0  0  0  0999 V2000
    3.7321    0.5000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.8660   -0.0000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.8660   -1.0000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.7321   -1.5000    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
    4.5981    0.0000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.7321    1.5000    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    2.0000    0.5000    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
  4  5  1  0  0  0  0
  5  6  1  0  0  0  0
  6  1  1  0  0  0  0
  1  2  1  0  0  0  0
  2  3  1  0  0  0  0
  2  8  2  0  0  0  0
  3  4  1  0  0  0  0
  1  7  2  0  0  0  0
S  SKP  7
ID	BMMCACCHp016
NAME	Cyclohexan-1,2-dione
FORMULA	C6H8O2
EXACTMASS	112.0524
AVERAGEMASS	112.1265
SMILES	O=C(C1)C(=O)CCC1
KEGG	http://www.genome.jp/dbget-bin/www_bget?compound+C06105
M  END

</pre>

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