Mol:BMFYB5CAp013

Latest revision as of 17:43, 16 June 2010

 
 
Copyright: ARM project http://www.metabolome.jp/ 
  9  8  0  0  0  0  0  0  0  0999 V2000 
   20.2178  -15.1201    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
   19.0147  -14.4262    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
   17.8179  -15.1901    0.0000 C   0  0  3  0  0  0  0  0  0  0  0  0 
   16.6210  -14.4262    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
   15.4179  -15.1201    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
   17.8179  -16.5778    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
   20.2433  -16.6225    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0 
   21.4147  -14.4262    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0 
   19.0147  -13.0447    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0 
  1  7  1  0     0  0 
  1  8  2  0     0  0 
  2  1  1  0     0  0 
  2  3  1  0     0  0 
  2  9  2  0     0  0 
  3  4  1  0     0  0 
  3  6  1  0     0  0 
  4  5  1  0     0  0 
S  SKP  7 
NAME	3-Methyl-2-oxopentanoic acid 
CAS_RN	39748-53-3 
ID	BMFYB5CAp013 
FORMULA	C6H10O3 
EXACTMASS	130.062994186 
AVERAGEMASS	130.1418 
SMILES	CCC(C)C(=O)C(O)=O 
SMILES	CCC(C)C(=O)C(O)=O 
M  END