Mol:BMFYB4ANi002

 
 
Copyright: ARM project http://www.metabolome.jp/ 
 12 11  0  0  0  0  0  0  0  0999 V2000 
    5.4641    1.0000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
    4.5981    0.5000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
    4.5981   -0.5000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
    3.7321   -1.0000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
    3.7321   -2.0000    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0 
    2.8660   -2.5000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
    2.8660   -3.5000    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0 
    2.0000   -2.0000    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0 
    5.4641    2.0000    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0 
    6.3301    2.5000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
    7.1962    2.0000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
    6.3301    3.5000    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0 
  9  1  1  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 
  6  8  1  0  0  0  0 
  6  7  2  0  0  0  0 
  9 10  1  0  0  0  0 
 10 11  1  0  0  0  0 
 10 12  2  0  0  0  0 
S  SKP  7 
ID	BMFYB4ANi002 
NAME	Acetyl-agmatine 
FORMULA	C7H16N4O 
EXACTMASS	172.1324 
AVERAGEMASS	172.2283 
SMILES	CC(=O)NCCCCNC(N)=N 
KEGG	http://www.genome.jp/dbget-bin/www_bget?compound+C02131 
M  END