Mol:LBF08102BC01

 
 
Copyright: ARM project http://www.metabolome.jp/ 
 12 11  0  0  1  0  0  0  0  0999 V2000 
   -2.7996   -0.4477    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
   -1.9350   -0.4477    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
   -0.8506    0.3845    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
   -0.0442   -0.4477    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
    0.8237    0.0545    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
    1.5203   -0.4477    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
    0.8237   -0.9945    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
    2.3443   -0.4477    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
    2.7996    0.3409    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0 
    2.7996   -1.2364    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0 
   -2.3081    0.4395    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
   -2.5216    1.2364    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
  1 11  1  0  0  0  0 
  3  2  1  0  0  0  0 
  3  4  1  0  0  0  0 
  5  4  1  0  0  0  0 
  5  6  1  0  0  0  0 
  5  7  1  4  0  0  0 
  6  8  1  0  0  0  0 
  8  9  2  0  0  0  0 
  8 10  1  0  0  0  0 
  2 11  2  0  0  0  0 
 11 12  1  0  0  0  0 
S  SKP  5 
ID	LBF08102BC01 
FORMULA	C10H18O2 
EXACTMASS	170.13067981999998 
AVERAGEMASS	170.24872 
SMILES	CC(C)=CCCC(C)CC(O)=O 
M  END