Mol:LBF102nnXX01

 
 
Copyright: ARM project http://www.metabolome.jp/ 
 12 12  0  0  1  0  0  0  0  0999 V2000 
   -2.4145   -0.2276    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
   -2.1313   -1.0031    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
   -1.3063   -0.9715    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
   -1.0807   -0.1768    0.0000 C   0  0  3  0  0  0  0  0  0  0  0  0 
   -1.7641    0.2839    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
   -0.4951    0.3719    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
    0.0880   -0.2111    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
    0.6710    0.3719    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
    1.2540   -0.2111    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
    1.8370    0.3719    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
    2.4145   -0.1960    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0 
    1.8424    1.0031    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 
  3  4  1  0  0  0  0 
  4  5  1  0  0  0  0 
  1  5  1  0  0  0  0 
  4  6  1  4  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 
 10 12  2  0  0  0  0 
S  SKP  5 
ID	LBF102nnXX01 
FORMULA	C10H16O2 
EXACTMASS	168.11502975599998 
AVERAGEMASS	168.23283999999998 
SMILES	OC(=O)CCCCC(C1)C=CC1 
M  END