Mol:BMMCACDEq012

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BMMCACDEq012.png

<pre>

Copyright: ARM project http://www.metabolome.jp/
 10 10  0  0  1  0  0  0  0  0999 V2000
    3.7321   -0.0000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.5981    0.5000    0.0000 C   0  0  3  0  0  0  0  0  0  0  0  0
    5.4641    0.0000    0.0000 C   0  0  3  0  0  0  0  0  0  0  0  0
    5.4641   -1.0000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.5981   -1.5000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.7321   -1.0000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.8660    0.5000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.0000   -0.0000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.5981    1.5000    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    6.3301    0.5000    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  1  0  0  0  0
  1  6  2  0  0  0  0
  1  7  1  0  0  0  0
  2  3  1  0  0  0  0
  2  9  1  4  0  0  0
  6  5  1  0  0  0  0
  7  8  2  0  0  0  0
  3  4  1  0  0  0  0
  3 10  1  4  0  0  0
  5  4  2  0  0  0  0
S  SKP  7
ID	BMMCACDEq012
NAME	Styrene cis-glycol
FORMULA	C8H10O2
EXACTMASS	138.068
AVERAGEMASS	138.1637
SMILES	C=CC(=C1)C(O)C(O)C=C1
KEGG	http://www.genome.jp/dbget-bin/www_bget?compound+C07084
M  END

</pre>

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