Mol:BMAXDP--n007

 
 
Copyright: ARM project http://www.metabolome.jp/ 
 17 16  0  0  1  0  0  0  0  0999 V2000 
    4.5981   -2.7500    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
    4.5981   -1.7500    0.0000 C   0  0  3  0  0  0  0  0  0  0  0  0 
    3.7321   -1.2500    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
    5.4641   -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 
    7.1962    2.7500    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
    7.1962    1.7500    0.0000 C   0  0  3  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 
    6.3301    0.2500    0.0000 C   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 
    8.0622    1.2500    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0 
    5.4641   -3.2500    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0 
    3.7320   -3.2500    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0 
    8.0622    3.2500    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0 
    6.3301    3.2500    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 
  7 15  2  0  0  0  0 
 10 11  1  0  0  0  0 
  8 12  1  4  0  0  0 
  8  9  1  0  0  0  0 
 11 17  2  0  0  0  0 
 11  4  1  0  0  0  0 
  2  3  1  0  0  0  0 
  8  7  1  0  0  0  0 
  3  5  1  0  0  0  0 
  2  4  1  4  0  0  0 
  2  1  1  0  0  0  0 
  9 10  1  0  0  0  0 
  1 14  1  0  0  0  0 
  1 13  2  0  0  0  0 
  7 16  1  0  0  0  0 
  5  6  3  0  0  0  0 
S  SKP  7 
ID	BMAXDP--n007 
NAME	Glutamyl-cyano-alanine 
FORMULA	C9H13N3O5 
EXACTMASS	243.0855 
AVERAGEMASS	243.2167 
SMILES	N#CCC(NC(=O)CCC(N)C(O)=O)C(O)=O 
KEGG	http://www.genome.jp/dbget-bin/www_bget?compound+C05711 
M  END