Mol:LBF08000HO03

 
 
Copyright: ARM project http://www.metabolome.jp/ 
 11 10  0  0  1  0  0  0  0  0999 V2000 
    0.5589    0.3204    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
    1.1419   -0.2626    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
    1.7689    0.3204    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
    2.3561   -0.1787    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0 
    1.7744    1.0876    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0 
   -0.0241   -0.2626    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
   -0.6070    0.3204    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
   -1.1901   -0.2626    0.0000 C   0  0  3  0  0  0  0  0  0  0  0  0 
   -1.7731    0.3204    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
   -2.3561   -0.2626    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
   -1.1901   -1.0876    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  1  0  0  0  0 
  3  5  2  0  0  0  0 
  1  6  1  0  0  0  0 
  6  7  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 
  8 11  1  4  0  0  0 
S  SKP  5 
ID	LBF08000HO03 
FORMULA	C8H16O3 
EXACTMASS	160.109944378 
AVERAGEMASS	160.21084 
SMILES	CCC(O)CCCCC(O)=O 
M  END