Mol:BMMCLA--k006

 
 
Copyright: ARM project http://www.metabolome.jp/ 
 13 13  0  0  1  0  0  0  0  0999 V2000 
    2.5878    0.8342    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
    2.2788   -0.1169    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
    3.0878   -0.7047    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
    3.8968   -0.1169    0.0000 C   0  0  3  0  0  0  0  0  0  0  0  0 
    3.5878    0.8342    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0 
    4.8479    0.1922    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
    5.0558    1.1703    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
    4.4846   -0.9259    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
    2.0000    1.6432    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0 
    6.0068    1.4793    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0 
    4.3126    1.8394    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0 
    5.4791   -0.8214    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0 
    4.0779   -1.8394    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0 
  2  1  1  0  0  0  0 
  1  5  1  0  0  0  0 
  4  5  1  4  0  0  0 
  4  3  1  0  0  0  0 
  3  2  2  0  0  0  0 
  1  9  2  0  0  0  0 
  4  8  1  0  0  0  0 
  4  6  1  0  0  0  0 
  8 13  1  0  0  0  0 
  8 12  2  0  0  0  0 
  7 11  1  0  0  0  0 
  7 10  2  0  0  0  0 
  6  7  1  0  0  0  0 
S  SKP  7 
ID	BMMCLA--k006 
NAME	4-Carboxy-muconolactone 
FORMULA	C7H6O6 
EXACTMASS	186.0164 
AVERAGEMASS	186.1189 
SMILES	OC(=O)CC(C=1)(OC(=O)C1)C(O)=O 
KEGG	http://www.genome.jp/dbget-bin/www_bget?compound+C01278 
M  END