Mol:LBF08106BC01

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LBF08106BC01.png

 
 
Copyright: ARM project http://www.metabolome.jp/ 
 12 11  0  0  1  0  0  0  0  0999 V2000 
   -1.7425   -0.0782    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
   -1.1261    0.3995    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
    1.2939    0.6195    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
   -0.2944   -0.0782    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
    0.1699   -0.8825    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
    0.4689    0.3445    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
    2.0420   -0.0782    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
    2.5062    0.7261    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0 
    2.5062   -0.8825    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0 
   -0.1381    0.9032    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
   -2.5062    0.2339    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
   -1.7425   -0.9032    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
  2  1  1  0  0  0  0 
  2  4  1  0  0  0  0 
  3  6  2  0  0  0  0 
  4  5  1  0  0  0  0 
  5  6  1  0  0  0  0 
  3  7  1  0  0  0  0 
  7  8  2  0  0  0  0 
  7  9  1  0  0  0  0 
  6 10  1  0  0  0  0 
  1 11  1  0  0  0  0 
  1 12  1  0  0  0  0 
S  SKP  5 
ID	LBF08106BC01 
FORMULA	C10H18O2 
EXACTMASS	170.13067981999998 
AVERAGEMASS	170.24872 
SMILES	CC(C)CCCC(C)=CC(O)=O 
M  END
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