Mol:LBF14112BC01

 
 
Copyright: ARM project http://www.metabolome.jp/ 
 18 17  0  0  1  0  0  0  0  0999 V2000 
    4.5981   -2.2500    0.0000 C   0  0  3  0  0  0  0  0  0  0  0  0 
    3.7321   -2.7500    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
    8.9282    5.2500    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
    3.7321   -3.7500    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
    5.4641   -2.7500    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
    4.5981   -4.2500    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
    4.5981   -1.2500    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
    5.4641   -0.7500    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
    5.4641    0.2500    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
    6.3301    0.7500    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
    6.3301    1.7500    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
    7.1962    2.2500    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
    7.1962    3.2500    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
    8.0622    3.7500    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
    8.0622    4.7500    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
    2.8660   -4.2500    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
    2.8660   -5.2500    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0 
    2.0000   -3.7500    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0 
  1  2  1  0  0  0  0 
  2  4  2  0  0  0  0 
  1  5  1  4  0  0  0 
  6  4  1  0  0  0  0 
 16 17  1  0  0  0  0 
  1  7  1  0  0  0  0 
  3 15  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 
 13 14  1  0  0  0  0 
 14 15  1  0  0  0  0 
  4 16  1  0  0  0  0 
 16 18  2  0  0  0  0 
S  SKP  5 
ID	LBF14112BC01 
FORMULA	C16H30O2 
EXACTMASS	254.22458020399998 
AVERAGEMASS	254.4082 
SMILES	CCCCCCCCCCC(C)C=C(C)C(O)=O 
M  END