Mol:LBF08000BC01

 
 
Copyright: ARM project http://www.metabolome.jp/ 
 11 10  0  0  1  0  0  0  0  0999 V2000 
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   -0.7171    0.3753    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
   -0.1341   -0.2076    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
    0.4490    0.3753    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
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    1.7483    0.2049    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
    2.4660   -0.2062    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0 
    1.7469    1.0326    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0 
   -1.3001   -1.0326    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
  2  1  1  0  0  0  0 
  2  3  1  0  0  0  0 
  4  1  1  0  0  0  0 
  4  5  1  0  0  0  0 
  5  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 
  8 10  2  0  0  0  0 
  1 11  1  4  0  0  0 
S  SKP  5 
ID	LBF08000BC01 
FORMULA	C9H18O2 
EXACTMASS	158.13067981999998 
AVERAGEMASS	158.23802 
SMILES	CCC(C)CCCCC(O)=O 
M  END