Mol:BMAXS3AKi005

 
 
Copyright: ARM project http://www.metabolome.jp/ 
  9  8  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 
    3.7321   -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 
    4.5981    0.7500    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0 
    4.5981    1.7500    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
    3.7321    2.2500    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
    5.4641    2.2500    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0 
    2.0000   -0.7500    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 
  1  8  1  0  0  0  0 
  1  9  2  0  0  0  0 
  1  2  1  0  0  0  0 
  2  3  1  0  0  0  0 
  3  4  1  0  0  0  0 
  4  5  1  0  0  0  0 
  5  6  1  0  0  0  0 
  5  7  2  0  0  0  0 
S  SKP  7 
ID	BMAXS3AKi005 
NAME	N-Acetyl-beta-alanine 
FORMULA	C5H9NO3 
EXACTMASS	131.0582 
AVERAGEMASS	131.1299 
SMILES	CC(=O)NCCC(O)=O 
KEGG	http://www.genome.jp/dbget-bin/www_bget?compound+C01073 
M  END