Mol:BMMCBZ3Sn039

 
 
Copyright: ARM project http://www.metabolome.jp/ 
 11 11  0  0  0  0  0  0  0  0999 V2000 
    3.7321    1.2500    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
    2.8660    0.7500    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
    2.8660   -0.2500    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
    3.7321   -0.7500    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
    4.5981   -0.2500    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
    4.5981    0.7500    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
    3.7321    2.2500    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0 
    2.0000    1.2500    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0 
    3.7321   -1.7500    0.0000 N   0  3  0  0  0  0  0  0  0  0  0  0 
    2.8660   -2.2500    0.0000 O   0  5  0  0  0  0  0  0  0  0  0  0 
    4.5981   -2.2500    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0 
  6  1  2  0  0  0  0 
  6  5  1  0  0  0  0 
  5  4  2  0  0  0  0 
  4  3  1  0  0  0  0 
  3  2  2  0  0  0  0 
  2  1  1  0  0  0  0 
  1  7  1  0  0  0  0 
  2  8  1  0  0  0  0 
  4  9  1  0  0  0  0 
  9 10  1  0  0  0  0 
  9 11  2  0  0  0  0 
S  SKP  7 
ID	BMMCBZ3Sn039 
NAME	4-Nitro-catechol 
FORMULA	C6H5NO4 
EXACTMASS	155.0218 
AVERAGEMASS	155.1082 
SMILES	Oc(c1)c(O)cc(c1)[N+1]([O-1])=O 
KEGG	http://www.genome.jp/dbget-bin/www_bget?compound+C02235 
M  END