Mol:BMMCLA--k004

 
 
Copyright: ARM project http://www.metabolome.jp/ 
 10 10  0  0  0  0  0  0  0  0999 V2000 
    5.1701    0.0127    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0 
    5.4791   -0.9384    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
    4.6701   -1.5262    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
    3.8611   -0.9384    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
    4.1701    0.0127    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
    3.5823    0.8217    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
    2.5878    0.7172    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
    2.1810   -0.1964    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0 
    2.0000    1.5262    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0 
    6.4302   -1.2474    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0 
  5  6  1  0  0  0  0 
  5  4  2  0  0  0  0 
  4  3  1  0  0  0  0 
  3  2  1  0  0  0  0 
  7  8  1  0  0  0  0 
  6  7  1  0  0  0  0 
  7  9  2  0  0  0  0 
  2 10  2  0  0  0  0 
  5  1  1  0  0  0  0 
  1  2  1  0  0  0  0 
S  SKP  7 
ID	BMMCLA--k004 
NAME	3-Oxo-adipate enol-lactone 
FORMULA	C6H6O4 
EXACTMASS	142.0266 
AVERAGEMASS	142.1094 
SMILES	OC(=O)CC(=C1)OC(=O)C1 
KEGG	http://www.genome.jp/dbget-bin/www_bget?compound+C03586 
M  END