Mol:LBF09000BC02

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LBF09000BC02.png

 
 
Copyright: ARM project http://www.metabolome.jp/ 
 12 11  0  0  1  0  0  0  0  0999 V2000 
   -3.5391    0.8895    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
    0.0399    0.8895    0.0000 C   0  0  3  0  0  0  0  0  0  0  0  0 
    1.4633    0.8895    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
    0.0399    1.9585    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
   -2.5514    0.8895    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
   -2.1404    0.1775    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
   -2.5514   -0.5345    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
   -2.1404   -1.2465    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
   -2.5514   -1.9585    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
    3.1280    0.8895    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
    3.5391    1.6015    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0 
    3.5391    0.1775    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0 
  2  3  1  0  0  0  0 
  2  4  1  4  0  0  0 
  1  5  1  0  0  0  0 
  2  9  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 
  3 10  1  0  0  0  0 
 10 11  2  0  0  0  0 
 10 12  1  0  0  0  0 
S  SKP  5 
ID	LBF09000BC02 
FORMULA	C10H20O2 
EXACTMASS	172.14632988399998 
AVERAGEMASS	172.2646 
SMILES	CCCCCCC(C)CC(O)=O 
M  END
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