Mol:BMAXDP--0004

 
 
Copyright: ARM project http://www.metabolome.jp/ 
 15 14  0  0  1  0  0  0  0  0999 V2000 
    7.1962    1.7500    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
    6.3301    1.2500    0.0000 C   0  0  2  0  0  0  0  0  0  0  0  0 
    5.4641    1.7500    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
    4.5981    1.2500    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
    3.7321    1.7500    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
    2.8660    1.2500    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
    6.3301    0.2500    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0 
    2.0000    1.7500    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0 
    5.4641   -0.2500    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
    5.4641   -1.2500    0.0000 C   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 
    4.5981   -2.7500    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0 
    8.0622    1.2500    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0 
    7.1962    2.7500    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0 
    4.5981    0.2500    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0 
  3  4  1  0  0  0  0 
  4  5  1  0  0  0  0 
  9  7  1  0  0  0  0 
  9 15  2  0  0  0  0 
 11 10  1  0  0  0  0 
  2  1  1  0  0  0  0 
  2  7  1  1  0  0  0 
  1 13  2  0  0  0  0 
 12 11  1  0  0  0  0 
  1 14  1  0  0  0  0 
  2  3  1  0  0  0  0 
  5  6  1  0  0  0  0 
 10  9  1  0  0  0  0 
  6  8  1  0  0  0  0 
S  SKP  7 
ID	BMAXDP--0004 
NAME	beta-Alanyl-L-lysine 
FORMULA	C9H19N3O3 
EXACTMASS	217.1426 
AVERAGEMASS	217.2655 
SMILES	NCCCC[C@H](NC(=O)CCN)C(O)=O 
KEGG	http://www.genome.jp/dbget-bin/www_bget?compound+C05341 
M  END