Mol:BMMCBZ2Ok027

Latest revision as of 15:44, 27 March 2009

 
 
Copyright: ARM project http://www.metabolome.jp/ 
 12 12  0  0  0  0  0  0  0  0  1 V2000 
   18.9613   -5.3380    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
   17.8486   -4.6955    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
   16.7359   -5.3380    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
   16.7359   -6.6229    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
   17.8486   -7.2653    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
   18.9613   -6.6229    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
   20.0741   -4.6955    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
   21.1868   -5.3380    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
   21.1868   -6.6229    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
   17.8486   -3.4107    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0 
   22.6012   -7.3770    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0 
   19.9190   -7.4398    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0 
  2  3  1  0  0  0  0 
  1  7  1  0  0  0  0 
  3  4  2  0  0  0  0 
  7  8  2  0  0  0  0 
  4  5  1  0  0  0  0 
  8  9  1  0  0  0  0 
  5  6  2  0  0  0  0 
  9 11  1  0  0  0  0 
  6  1  1  0  0  0  0 
  9 12  2  0  0  0  0 
  1  2  2  0  0  0  0 
  2 10  1  0  0  0  0 
S  SKP  8 
ID	BMMCBZ2Ok027 
NAME	cis-2-Hydroxy-cinnamic acid 
AUTODRAW	false 
FORMULA	C9H8O3 
EXACTMASS	164.0473 
AVERAGEMASS	164.158 
SMILES	OC(=O)C=Cc(c1)c(O)ccc1 
KEGG	http://www.genome.jp/dbget-bin/www_bget?compound+C05838 
M  END