Mol:BMMCHC--k016

 
 
Copyright: ARM project http://www.metabolome.jp/ 
 13 13  0  0  1  0  0  0  0  0999 V2000 
    4.9543    1.1149    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0 
    4.6453    0.1639    0.0000 C   0  0  3  0  0  0  0  0  0  0  0  0 
    5.4543   -0.4239    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
    6.2633    0.1639    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
    5.9543    1.1149    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
    3.6942   -0.1452    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
    2.9511    0.5240    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
    5.4543   -1.4239    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
    2.0000    0.2150    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0 
    3.1590    1.5021    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0 
    4.5882   -1.9239    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0 
    6.3203   -1.9239    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0 
    6.5421    1.9239    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0 
  5  4  1  0  0  0  0 
  3  2  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 13  2  0  0  0  0 
  2  6  1  0  0  0  0 
  7 10  1  0  0  0  0 
  7  9  2  0  0  0  0 
  6  7  1  0  0  0  0 
  8 11  1  0  0  0  0 
  8 12  2  0  0  0  0 
  3  8  1  0  0  0  0 
S  SKP  7 
ID	BMMCHC--k016 
NAME	3-Carboxy-2,5-dihydro-5-oxofuran-2-acetic acid 
FORMULA	C7H6O6 
EXACTMASS	186.0164 
AVERAGEMASS	186.1189 
SMILES	OC(=O)CC(O1)C(=CC(=O)1)C(O)=O 
KEGG	http://www.genome.jp/dbget-bin/www_bget?compound+C04553 
M  END