Mol:LBF13000HO03

 
 
Copyright: ARM project http://www.metabolome.jp/ 
 16 15  0  0  0  0  0  0  0  0999 V2000 
    2.4047   -0.0369    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
    2.9877   -0.6199    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
    3.6147   -0.0369    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
    4.2019   -0.5360    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0 
    3.6202    0.7303    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0 
    1.8218   -0.6199    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
    1.2388   -0.0369    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
    0.6557   -0.6199    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
    0.0727   -0.0369    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
   -0.5103   -0.6199    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
   -1.0932   -0.0369    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
   -1.6762   -0.6199    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
   -2.2868    0.0456    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
   -3.0352   -0.7303    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
   -3.6185   -0.1469    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
   -4.2019   -0.7303    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 
 15 16  1  0  0  0  0 
S  SKP  5 
ID	LBF13000HO03 
FORMULA	C13H26O3 
EXACTMASS	230.188194698 
AVERAGEMASS	230.34373999999997 
SMILES	OCCCCCCCCCCCCC(O)=O 
M  END