Mol:BMMCHC--k014

 
 
Copyright: ARM project http://www.metabolome.jp/ 
 13 13  0  0  0  0  0  0  0  0999 V2000 
    3.7321   -0.5000    0.0000 O   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 
    5.4641   -0.5000    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  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 
    2.8660    1.0000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
    4.5981   -2.0000    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 
    2.0000    0.5000    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 
    7.1962    0.5000    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0 
  5  4  1  0  0  0  0 
  5  6  2  0  0  0  0 
  6  1  1  0  0  0  0 
  1  2  1  0  0  0  0 
  2  3  1  0  0  0  0 
  3  4  2  0  0  0  0 
  2  9  2  0  0  0  0 
  4  7  1  0  0  0  0 
  6  8  1  0  0  0  0 
  8 10  1  0  0  0  0 
  8 11  2  0  0  0  0 
  7 12  1  0  0  0  0 
  7 13  2  0  0  0  0 
S  SKP  7 
ID	BMMCHC--k014 
NAME	2-Pyrone-4,6-dicarboxylic acid 
FORMULA	C7H4O6 
EXACTMASS	184.0007 
AVERAGEMASS	184.103 
SMILES	OC(=O)C(=C1)C=C(OC(=O)1)C(O)=O 
KEGG	http://www.genome.jp/dbget-bin/www_bget?compound+C03671 
M  END