Mol:LBF10204SC03

 
 
Copyright: ARM project http://www.metabolome.jp/ 
 12 11  0  0  0  0  0  0  0  0999 V2000 
    1.8356   -0.6256    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
    2.4489   -0.1952    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
    3.1639   -0.6064    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0 
    2.4489    0.6325    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0 
    1.3406   -0.1581    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
    0.6641   -0.6325    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
    0.0660   -0.0674    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
   -0.6105   -0.5417    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
   -1.2100    0.0248    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
   -1.8865   -0.4496    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
   -2.4874    0.1183    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
   -3.1639   -0.3561    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	LBF10204SC03 
FORMULA	C10H16O2 
EXACTMASS	168.11502975599998 
AVERAGEMASS	168.23283999999998 
SMILES	CCCC=CCCC=CC(O)=O 
M  END