Mol:LBF09000HO03

 
 
Copyright: ARM project http://www.metabolome.jp/ 
 12 11  0  0  1  0  0  0  0  0999 V2000 
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    1.4334   -0.2626    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
    2.0604    0.3204    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
    2.6476   -0.1787    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0 
    2.0659    1.0876    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0 
    0.2674   -0.2626    0.0000 C   0  0  3  0  0  0  0  0  0  0  0  0 
   -0.3156    0.3204    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
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   -1.4816    0.3204    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
   -2.0646   -0.2626    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
   -2.6476    0.3204    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
    0.2674   -1.0876    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 
  6 12  1  4  0  0  0 
S  SKP  5 
ID	LBF09000HO03 
FORMULA	C9H18O3 
EXACTMASS	174.125594442 
AVERAGEMASS	174.23742 
SMILES	CCCCCC(O)CCC(O)=O 
M  END