Mol:BMMCACDEk004

 
 
Copyright: ARM project http://www.metabolome.jp/ 
 17 17  0  0  1  0  0  0  0  0999 V2000 
    7.1962    0.2500    0.0000 C   0  0  3  0  0  0  0  0  0  0  0  0 
    6.3301   -0.2500    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
    6.3301   -1.2500    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
    7.1962   -1.7500    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
    8.0622   -1.2500    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
    8.0622   -0.2500    0.0000 C   0  0  3  0  0  0  0  0  0  0  0  0 
    7.1962    1.2500    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
    5.4641    0.2500    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
    4.5981   -0.2500    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
    3.7321    0.2500    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
    2.8660   -0.2500    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
    8.0622    1.7500    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0 
    6.3301    1.7500    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0 
    5.4641    1.2500    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0 
    2.8660   -1.2500    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0 
    2.0000    0.2500    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0 
    8.9282    0.2500    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0 
  1  2  1  4  0  0  0 
  2  8  1  0  0  0  0 
  2  3  2  0  0  0  0 
  1  6  1  0  0  0  0 
  1  7  1  0  0  0  0 
  8  9  1  0  0  0  0 
  8 14  2  0  0  0  0 
  3  4  1  0  0  0  0 
  6  5  1  0  0  0  0 
  6 17  1  4  0  0  0 
  7 12  1  0  0  0  0 
  7 13  2  0  0  0  0 
  9 10  1  0  0  0  0 
 10 11  1  0  0  0  0 
 11 15  1  0  0  0  0 
 11 16  2  0  0  0  0 
  4  5  2  0  0  0  0 
S  SKP  7 
ID	BMMCACDEk004 
NAME	2-Succinyl-6-hydroxy-2,4-cyclohexadiene-1-carboxylic acid 
FORMULA	C11H12O6 
EXACTMASS	240.0633 
AVERAGEMASS	240.2093 
SMILES	OC(=O)CCC(=O)C(=C1)C(C(O)=O)C(O)C=C1 
KEGG	http://www.genome.jp/dbget-bin/www_bget?compound+C05817 
M  END