Mol:BMXXSX--n001

 
 
Copyright: ARM project http://www.metabolome.jp/ 
  6  5  0  0  0  0  0  0  0  0999 V2000 
    3.7321    1.0000    0.0000 C   0  0  0  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    1.0000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
    2.8660   -0.5000    0.0000 N   0  3  0  0  0  0  0  0  0  0  0  0 
    2.0000   -1.0000    0.0000 O   0  5  0  0  0  0  0  0  0  0  0  0 
    3.7321   -1.0000    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0 
  1  2  1  0  0  0  0 
  2  3  1  0  0  0  0 
  2  4  1  0  0  0  0 
  4  5  1  0  0  0  0 
  4  6  2  0  0  0  0 
S  SKP  7 
ID	BMXXSX--n001 
NAME	2-Nitropropane 
FORMULA	C3H7NO2 
EXACTMASS	89.0476 
AVERAGEMASS	89.0932 
SMILES	CC(C)[N+1]([O-1])=O 
KEGG	http://www.genome.jp/dbget-bin/www_bget?compound+C02116 
M  END