Mol:LBF10206SC02

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LBF10206SC02.png

 
 
Copyright: ARM project http://www.metabolome.jp/ 
 12 11  0  0  0  0  0  0  0  0999 V2000 
    1.8996   -0.6291    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
    2.5128   -0.1987    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
    3.2278   -0.6098    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0 
    2.5128    0.6291    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0 
   -1.2629   -0.6291    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
   -1.9174   -0.1244    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
   -2.5761   -0.6208    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
    1.2396   -0.6291    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
    0.6346   -0.1616    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
   -0.5754   -0.1616    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
    0.0296   -0.6291    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
   -3.2278   -0.1176    0.0000 C   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 
  2  4  2  0  0  0  0 
  5  6  1  0  0  0  0 
  6  7  1  0  0  0  0 
  1  8  2  0  0  0  0 
  8  9  1  0  0  0  0 
  5 10  1  0  0  0  0 
  9 11  2  0  0  0  0 
 11 10  1  0  0  0  0 
  7 12  1  0  0  0  0 
S  SKP  5 
ID	LBF10206SC02 
FORMULA	C10H16O2 
EXACTMASS	168.11502975599998 
AVERAGEMASS	168.23283999999998 
SMILES	CCCCCC=CC=CC(O)=O 
M  END
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