Mol:LBF09000HO05

 
 
Copyright: ARM project http://www.metabolome.jp/ 
 12 11  0  0  0  0  0  0  0  0999 V2000 
    1.1419   -0.0921    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
    1.7249   -0.6751    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
    2.3519   -0.0921    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
    2.9391   -0.5912    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0 
    2.3574    0.6751    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0 
    0.5589   -0.6751    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
   -0.0241   -0.0921    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
   -0.6071   -0.6751    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
   -1.1901   -0.0921    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
   -1.7731   -0.6751    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
   -2.3561   -0.0921    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
   -2.9391   -0.6751    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 
S  SKP  5 
ID	LBF09000HO05 
FORMULA	C9H18O3 
EXACTMASS	174.125594442 
AVERAGEMASS	174.23742 
SMILES	OCCCCCCCCC(O)=O 
M  END