Mol:LBF122nnXX01

 
 
Copyright: ARM project http://www.metabolome.jp/ 
 14 14  0  0  1  0  0  0  0  0999 V2000 
   -3.1343   -0.2406    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
   -2.8511   -1.0161    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
   -2.0261   -0.9845    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
   -1.8006   -0.1898    0.0000 C   0  0  3  0  0  0  0  0  0  0  0  0 
   -2.4840    0.2708    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
   -1.2149    0.3589    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
   -0.6318   -0.2242    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
   -0.0488    0.3589    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
    0.5342   -0.2242    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
    1.1171    0.3589    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
    1.7001   -0.2242    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
    2.4165    0.1883    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
    3.1343   -0.2228    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0 
    2.4151    1.0161    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0 
  1  2  1  0  0  0  0 
  2  3  2  0  0  0  0 
  4  3  1  4  0  0  0 
  4  5  1  0  0  0  0 
  1  5  1  0  0  0  0 
  4  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 
  9 10  1  0  0  0  0 
 10 11  1  0  0  0  0 
 11 12  1  0  0  0  0 
 12 13  1  0  0  0  0 
 12 14  2  0  0  0  0 
S  SKP  5 
ID	LBF122nnXX01 
FORMULA	C12H20O2 
EXACTMASS	196.14632988399998 
AVERAGEMASS	196.28599999999997 
SMILES	OC(=O)CCCCCCC(C1)C=CC1 
M  END