Mol:LBF10000HO05

 
 
Copyright: ARM project http://www.metabolome.jp/ 
 13 12  0  0  0  0  0  0  0  0999 V2000 
    1.4334   -0.0921    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
    2.0164   -0.6751    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
    2.6434   -0.0921    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
    3.2306   -0.5912    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0 
    2.6489    0.6751    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0 
    0.8505   -0.6751    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
    0.2675   -0.0921    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
   -0.3156   -0.6751    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
   -0.8986   -0.0921    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
   -1.4816   -0.6751    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
   -2.0645   -0.0921    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
   -2.6475   -0.6751    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
   -3.2306   -0.0921    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 
S  SKP  5 
ID	LBF10000HO05 
FORMULA	C10H20O3 
EXACTMASS	188.141244506 
AVERAGEMASS	188.264 
SMILES	OCCCCCCCCCC(O)=O 
M  END