Mol:LBF13000HO02

 
 
Copyright: ARM project http://www.metabolome.jp/ 
 16 15  0  0  1  0  0  0  0  0999 V2000 
    2.1131    0.3204    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
    2.6960   -0.2626    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
    3.3231    0.3204    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
    3.9102   -0.1787    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0 
    3.3285    1.0876    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0 
    1.5301   -0.2626    0.0000 C   0  0  3  0  0  0  0  0  0  0  0  0 
    0.9471    0.3204    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
    0.3640   -0.2626    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
   -0.2190    0.3204    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
   -0.8019   -0.2626    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
   -1.3849    0.3204    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
   -1.9679   -0.2626    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
   -2.5785    0.4029    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
   -3.3269   -0.3730    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
   -3.9102    0.2104    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
    1.5301   -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 
 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 
 14 15  1  0  0  0  0 
  6 16  1  4  0  0  0 
S  SKP  5 
ID	LBF13000HO02 
FORMULA	C13H26O3 
EXACTMASS	230.188194698 
AVERAGEMASS	230.34373999999997 
SMILES	CCCCCCCCCC(O)CCC(O)=O 
M  END