Mol:BMAXS5ALj001

 
 
Copyright: ARM project http://www.metabolome.jp/ 
 16 15  0  0  1  0  0  0  0  0999 V2000 
    6.3301    2.0000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
    5.4641    1.5000    0.0000 C   0  0  2  0  0  0  0  0  0  0  0  0 
    4.5981    2.0000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
    3.7321    1.5000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
    2.8660    2.0000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
    5.4641    0.5000    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0 
    4.5981    0.0000    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 
    3.7320   -1.5000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
    3.7320   -2.5000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
    7.1962    1.5000    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0 
    6.3301    3.0000    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0 
    2.0000    1.5000    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0 
    3.7320    0.5000    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0 
    4.5981   -3.0000    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0 
    2.8660   -3.0000    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0 
  2  6  1  1  0  0  0 
  8  7  1  0  0  0  0 
 10  9  1  0  0  0  0 
  5  4  1  0  0  0  0 
 10 16  2  0  0  0  0 
  4  3  1  0  0  0  0 
  2  3  1  0  0  0  0 
 15 10  1  0  0  0  0 
  2  1  1  0  0  0  0 
  7  6  1  0  0  0  0 
  1 11  2  0  0  0  0 
  9  8  1  0  0  0  0 
  1 12  1  0  0  0  0 
  7 14  2  0  0  0  0 
  5 13  2  0  0  0  0 
S  SKP  7 
ID	BMAXS5ALj001 
NAME	(2S) -2- [(4-Hydroxy-4-oxobutanoyl) amino] -5-oxopentanoic acid 
CAS_RN	 99590-81-5 
FORMULA	C9H13NO6 
EXACTMASS	231.0742 
AVERAGEMASS	231.2026 
SMILES	O=CCC[C@H](NC(=O)CCC(O)=O)C(O)=O 
KEGG	http://www.genome.jp/dbget-bin/www_bget?compound+C05932 
M  END