Mol:BMAXDP--0003

 
 
Copyright: ARM project http://www.metabolome.jp/ 
 17 16  0  0  1  0  0  0  0  0999 V2000 
    8.0622    1.7500    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
    7.1962    1.2500    0.0000 C   0  0  2  0  0  0  0  0  0  0  0  0 
    6.3301    1.7500    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 
    7.1962    0.2500    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0 
    3.7321    1.2500    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0 
    2.8660    1.7500    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
    2.0000    1.2500    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0 
    2.8660    2.7500    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0 
    6.3301   -0.2500    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
    6.3301   -1.2500    0.0000 C   0  0  0  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 
    5.4641   -2.7500    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0 
    8.9282    1.2500    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0 
    8.0622    2.7500    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0 
    5.4641    0.2500    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0 
  4  5  1  0  0  0  0 
 11  6  1  0  0  0  0 
  5  7  1  0  0  0  0 
 13 12  1  0  0  0  0 
  7  8  1  0  0  0  0 
  2  6  1  1  0  0  0 
  8  9  1  0  0  0  0 
 14 13  1  0  0  0  0 
 11 17  2  0  0  0  0 
  2  3  1  0  0  0  0 
  8 10  2  0  0  0  0 
 12 11  1  0  0  0  0 
  2  1  1  0  0  0  0 
  3  4  1  0  0  0  0 
  1 15  2  0  0  0  0 
  1 16  1  0  0  0  0 
S  SKP  7 
ID	BMAXDP--0003 
NAME	beta-Alanyl-L-arginine 
FORMULA	C9H19N5O3 
EXACTMASS	245.1487 
AVERAGEMASS	245.279 
SMILES	NCCC(=O)N[C@@H](CCCNC(N)=N)C(O)=O 
KEGG	http://www.genome.jp/dbget-bin/www_bget?compound+C05340 
M  END