Mol:BMMCBZ3Sq058

 
 
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