Mol:BMMCLA--k015

 
 
Copyright: ARM project http://www.metabolome.jp/ 
 10 10  0  0  1  0  0  0  0  0999 V2000 
    3.5878    1.0492    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0 
    3.8968    0.0981    0.0000 C   0  0  3  0  0  0  0  0  0  0  0  0 
    3.0878   -0.4897    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
    2.2788    0.0981    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
    2.5878    1.0492    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
    4.8479   -0.2109    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
    5.0558   -1.1891    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
    4.3126   -1.8582    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0 
    6.0068   -1.4981    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0 
    2.0000    1.8582    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0 
  5  4  1  0  0  0  0 
  2  3  1  0  0  0  0 
  2  1  1  4  0  0  0 
  1  5  1  0  0  0  0 
  4  3  2  0  0  0  0 
  5 10  2  0  0  0  0 
  2  6  1  0  0  0  0 
  7  8  1  0  0  0  0 
  7  9  2  0  0  0  0 
  6  7  1  0  0  0  0 
S  SKP  7 
ID	BMMCLA--k015 
NAME	Mucono-lactone 
FORMULA	C6H6O4 
EXACTMASS	142.0266 
AVERAGEMASS	142.1094 
SMILES	OC(=O)CC(C=1)OC(=O)C1 
KEGG	http://www.genome.jp/dbget-bin/www_bget?compound+C04105 
M  END