Mol:BMMCBZ3Sq029

 
 
Copyright: ARM project http://www.metabolome.jp/ 
 11 11  0  0  0  0  0  0  0  0999 V2000 
    4.5981    1.0000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
    3.7321    0.5000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
    3.7321   -0.5000    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 
    5.4641   -0.5000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
    5.4641    0.5000    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 
    2.8660   -2.0000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
    2.0000   -0.5000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
    4.5981    2.0000    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0 
    2.8660    1.0000    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0 
  5  6  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  2  0  0  0  0 
  1  6  1  0  0  0  0 
  1 10  1  0  0  0  0 
  2 11  1  0  0  0  0 
  3  7  1  0  0  0  0 
  7  8  1  0  0  0  0 
  7  9  1  0  0  0  0 
S  SKP  7 
ID	BMMCBZ3Sq029 
NAME	3-Isopropyl-catechol 
FORMULA	C9H12O2 
EXACTMASS	152.0837 
AVERAGEMASS	152.1903 
SMILES	CC(C)c(c1)c(O)c(O)cc1 
KEGG	http://www.genome.jp/dbget-bin/www_bget?compound+C01014 
M  END