Mol:LBF12000BC07

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LBF12000BC07.png

 
 
Copyright: ARM project http://www.metabolome.jp/ 
 15 14  0  0  1  0  0  0  0  0999 V2000 
   -0.8099    0.5741    0.0000 C   0  0  3  0  0  0  0  0  0  0  0  0 
    0.6542    0.5741    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
   -0.8099    1.5618    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
   -4.3598    0.5741    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
    2.2811    0.5741    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
    3.9487    0.5741    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
    4.3598    1.2861    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0 
    4.3598   -0.1378    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0 
    0.4088   -1.5618    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
   -0.4133   -1.5618    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
   -0.8244   -0.8498    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
   -1.6465   -0.8498    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
   -2.0576   -0.1378    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
   -2.8797   -0.1378    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
   -3.2908    0.5741    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
  1  2  1  0  0  0  0 
  1  3  1  4  0  0  0 
  5  2  1  0  0  0  0 
  5  6  1  0  0  0  0 
  6  7  2  0  0  0  0 
  6  8  1  0  0  0  0 
  1  9  1  0  0  0  0 
  4 15  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 
S  SKP  5 
ID	LBF12000BC07 
FORMULA	C13H26O2 
EXACTMASS	214.19328007599998 
AVERAGEMASS	214.34433999999996 
SMILES	CCCCCCCCC(C)CCC(O)=O 
M  END
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