Mol:BMFYB4DAs009

Revision as of 15:23, 27 March 2009

 
 
Copyright: ARM project http://www.metabolome.jp/ 
 11 10  0  0  0  0  0  0  0  0  1 V2000 
   26.8260   -8.6973    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
   27.9778   -8.0323    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
   27.9778   -6.7023    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
   26.8260   -6.0373    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
   29.1296   -8.6973    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
   29.1296  -10.0273    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
   30.2814   -8.0323    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
   25.6742   -6.7023    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0 
   26.8260   -4.7073    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0 
   25.6742   -8.0323    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0 
   26.8260  -10.0273    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0 
  5  2  1  0  0  0  0 
  2  3  2  0  0  0  0 
  3  4  1  0  0  0  0 
  4  8  1  0  0  0  0 
  4  9  2  0  0  0  0 
  1 10  1  0  0  0  0 
  1 11  2  0  0  0  0 
  2  1  1  0  0  0  0 
  5  6  1  0  0  0  0 
  5  7  1  0  0  0  0 
S  SKP  8 
ID	BMFYB4DAs009 
NAME	2-Isopropyl-maleic acid 
AUTODRAW	false 
FORMULA	C7H10O4 
EXACTMASS	158.0579 
AVERAGEMASS	158.1519 
SMILES	CC(C)C(=CC(O)=O)C(O)=O 
KEGG	http://www.genome.jp/dbget-bin/www_bget?compound+C02631 
M  END