Mol:BMFYS3CAn012

 
 
Copyright: ARM project http://www.metabolome.jp/ 
  8  7  0  0  0  0  0  0  0  0999 V2000 
    2.8660   -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 N   0  3  0  0  0  0  0  0  0  0  0  0 
    2.0000   -0.5000    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0 
    2.8660   -2.0000    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0 
    5.4641    0.5000    0.0000 O   0  5  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 
  3  2  1  0  0  0  0 
  1  5  1  0  0  0  0 
  1  6  2  0  0  0  0 
  2  1  1  0  0  0  0 
  3  4  1  0  0  0  0 
  4  7  1  0  0  0  0 
  4  8  2  0  0  0  0 
S  SKP  7 
ID	BMFYS3CAn012 
NAME	3-Nitro-propanoic acid 
FORMULA	C3H5NO4 
EXACTMASS	119.0218 
AVERAGEMASS	119.0761 
SMILES	OC(=O)CC[N+1]([O-1])=O 
KEGG	http://www.genome.jp/dbget-bin/www_bget?compound+C02516 
M  END