Mol:LBF10204SC01

 
 
Copyright: ARM project http://www.metabolome.jp/ 
 12 11  0  0  0  0  0  0  0  0999 V2000 
    1.6761   -0.5603    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
    2.2894   -0.1299    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
    3.0044   -0.5411    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0 
    2.2894    0.6978    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0 
    0.9061   -0.5603    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
    0.3561   -0.0928    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
   -0.1664   -0.6428    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
   -0.6889   -0.0928    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
   -1.4052   -0.0928    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
   -1.9539   -0.6978    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
   -2.4489   -0.0378    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
   -3.0044   -0.6497    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 
  1  5  2  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  2  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 
S  SKP  5 
ID	LBF10204SC01 
FORMULA	C10H16O2 
EXACTMASS	168.11502975599998 
AVERAGEMASS	168.23283999999998 
SMILES	CCCC=CCCC=CC(O)=O 
M  END