Mol:BMMCBZ2Pn040

 
 
Copyright: ARM project http://www.metabolome.jp/ 
 10 10  0  0  0  0  0  0  0  0999 V2000 
    2.8660    1.2500    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
    2.0000    0.7500    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
    2.0000   -0.2500    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 
    3.7321   -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 
    2.8660   -1.7500    0.0000 N   0  3  0  0  0  0  0  0  0  0  0  0 
    2.0000   -2.2500    0.0000 O   0  5  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 
    2.8660    2.2500    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0 
  2  1  2  0  0  0  0 
  2  3  1  0  0  0  0 
  3  4  2  0  0  0  0 
  4  5  1  0  0  0  0 
  5  6  2  0  0  0  0 
  6  1  1  0  0  0  0 
  1 10  1  0  0  0  0 
  4  7  1  0  0  0  0 
  7  8  1  0  0  0  0 
  7  9  2  0  0  0  0 
S  SKP  7 
ID	BMMCBZ2Pn040 
NAME	4-Nitro-phenol 
FORMULA	C6H5NO3 
EXACTMASS	139.0269 
AVERAGEMASS	139.1088 
SMILES	Oc(c1)ccc(c1)[N+1]([O-1])=O 
KEGG	http://www.genome.jp/dbget-bin/www_bget?compound+C00870 
M  END