Mol:BMFYB7DAi002

 
 
Copyright: ARM project http://www.metabolome.jp/ 
 16 15  0  0  1  0  0  0  0  0999 V2000 
    8.0622    1.0000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
    7.1962    0.5000    0.0000 C   0  0  2  0  0  0  0  0  0  0  0  0 
    6.3301    1.0000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
    5.4641    0.5000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
    4.5981    1.0000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
    3.7321    0.5000    0.0000 C   0  0  1  0  0  0  0  0  0  0  0  0 
    2.8660    1.0000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
    7.1962   -0.5000    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0 
    3.7320   -0.5000    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0 
    6.3301   -1.0000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
    5.4641   -0.5000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
    8.9282    0.5000    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0 
    8.0622    2.0000    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0 
    2.0000    0.5000    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0 
    2.8660    2.0000    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0 
    6.3301   -2.0000    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0 
  1 12  1  0  0  0  0 
  5  4  1  0  0  0  0 
  7 14  2  0  0  0  0 
  7  6  1  0  0  0  0 
  1 13  2  0  0  0  0 
  4  3  1  0  0  0  0 
  6  9  1  6  0  0  0 
 15  7  1  0  0  0  0 
  2  8  1  1  0  0  0 
  2  3  1  0  0  0  0 
  8 10  1  0  0  0  0 
  6  5  1  0  0  0  0 
 10 11  1  0  0  0  0 
  2  1  1  0  0  0  0 
 10 16  2  0  0  0  0 
S  SKP  7 
ID	BMFYB7DAi002 
NAME	(2S,6S) -2-Acetamido-6-aminoheptanedioic acid 
CAS_RN	113904-22-6 
FORMULA	C9H16N2O5 
EXACTMASS	232.1059 
AVERAGEMASS	232.2338 
SMILES	CC(=O)N[C@@H](CCC[C@H](N)C(O)=O)C(O)=O 
KEGG	http://www.genome.jp/dbget-bin/www_bget?compound+C04390 
M  END