Mol:BMMCACDEk007

 
 
Copyright: ARM project http://www.metabolome.jp/ 
 13 13  0  0  1  0  0  0  0  0  1 V2000 
   21.3493   -4.7400    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
   20.1975   -5.4050    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
   20.1975   -6.7350    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
   21.3493   -7.4000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
   22.5010   -6.7350    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
   22.5010   -5.4050    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
   19.0456   -7.4000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
   19.0456   -8.7300    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
   17.8938   -6.7350    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
   21.3493   -3.4100    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0 
   19.0456   -4.7400    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0 
   20.1975   -9.3950    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0 
   17.8938   -9.3950    0.0000 O   0  0  0  0  0  0  0  0  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 
  4  5  1  0  0  0  0 
  5  6  2  0  0  0  0 
  6  1  1  0  0  0  0 
  1 10  1  6  0  0  0 
  2 11  1  6  0  0  0 
  3  7  1  0  0  0  0 
  7  8  1  0  0  0  0 
  8 12  2  0  0  0  0 
  7  9  1  0  0  0  0 
  8 13  1  0  0  0  0 
S  SKP  8 
ID	BMMCACDEk007 
NAME	2- [(5S,6R) -5,6-Dihydroxycyclohexa-1,3-dien-1-yl] propanoic acid 
CAS_RN	958732-95-1 
AUTODRAW	false 
FORMULA	C9H12O4 
EXACTMASS	184.0735 
AVERAGEMASS	184.1891 
SMILES	OC(=O)C(C)C(=C1)C(O)C(O)C=C1 
KEGG	http://www.genome.jp/dbget-bin/www_bget?compound+C11456 
M  END