Mol:LBF11000BC03

From Metabolomics.JP
Jump to: navigation, search

LBF11000BC03.png

 
 
Copyright: ARM project http://www.metabolome.jp/ 
 14 13  0  0  1  0  0  0  0  0999 V2000 
   -2.9857    1.9981    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
    1.1105    1.9981    0.0000 C   0  0  3  0  0  0  0  0  0  0  0  0 
    1.1105    2.9858    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
    2.5746    1.9981    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
    2.9857    2.7101    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0 
    2.9857    1.2861    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0 
   -1.3734    1.9981    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
   -0.9624    1.2861    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
   -1.3734    0.5741    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
   -0.9624   -0.1379    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
   -1.3734   -0.8499    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
   -0.9624   -1.5619    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
   -1.3734   -2.2739    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
   -0.9624   -2.9858    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
  2  3  1  4  0  0  0 
  2  4  1  0  0  0  0 
  4  5  2  0  0  0  0 
  4  6  1  0  0  0  0 
  1  7  1  0  0  0  0 
  2 14  1  0  0  0  0 
  7  8  1  0  0  0  0 
  8  9  1  0  0  0  0 
  9 10  1  0  0  0  0 
 10 11  1  0  0  0  0 
 11 12  1  0  0  0  0 
 12 13  1  0  0  0  0 
 13 14  1  0  0  0  0 
S  SKP  5 
ID	LBF11000BC03 
FORMULA	C12H24O2 
EXACTMASS	200.17763001199998 
AVERAGEMASS	200.31776 
SMILES	CCCCCCCCCC(C)C(O)=O 
M  END
Personal tools
Namespaces

Variants
Actions
Navigation
metabolites
Toolbox