Mol:BMMCBZ3Sq058

<pre>

Copyright: ARM project http://www.metabolome.jp/
  9  9  0  0  1  0  0  0  0  0999 V2000
    3.7321    1.0000    0.0000 C   0  0  2  0  0  0  0  0  0  0  0  0
    3.7321    0.0000    0.0000 C   0  0  1  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
    2.0000    1.0000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.8660    1.5000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.8660   -1.5000    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
    4.5981   -0.5000    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
  6  1  1  0  0  0  0
  6  5  2  0  0  0  0
  5  4  1  0  0  0  0
  4  3  2  0  0  0  0
  3  2  1  0  0  0  0
  2  1  1  0  0  0  0
  1  8  1  6  0  0  0
  2  9  1  6  0  0  0
  3  7  1  0  0  0  0
S  SKP  7
ID	BMMCBZ3Sq058
NAME	Toluene-cis-1,2-dihydrodiol
FORMULA	C7H10O2
EXACTMASS	126.068
AVERAGEMASS	126.1531
SMILES	CC(=C1)[C@@H](O)[C@@H](O)C=C1
KEGG	http://www.genome.jp/dbget-bin/www_bget?compound+C04592
M  END

</pre>