Mol:LBF12000BC16

 
 
Copyright: ARM project http://www.metabolome.jp/ 
 16 15  0  0  1  0  0  0  0  0999 V2000 
   -4.0897    1.7800    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
   -0.8766    1.7800    0.0000 C   0  0  3  0  0  0  0  0  0  0  0  0 
    0.7502    1.7800    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
   -0.8766    0.9550    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
    2.2958    1.7800    0.0000 C   0  0  3  0  0  0  0  0  0  0  0  0 
    2.2958    0.9550    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
    3.6786    1.7800    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
    4.0897    2.4920    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0 
    4.0897    1.0680    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0 
   -3.2645    1.7800    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
   -2.8535    1.0680    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
   -3.2645    0.3560    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
   -2.8535   -0.3560    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
   -3.2645   -1.0680    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
   -2.8535   -1.7800    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
   -3.2645   -2.4920    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
  2  3  1  0  0  0  0 
  2  4  1  4  0  0  0 
  3  5  1  0  0  0  0 
  5  6  1  4  0  0  0 
  5  7  1  0  0  0  0 
  7  8  2  0  0  0  0 
  7  9  1  0  0  0  0 
  1 10  1  0  0  0  0 
  2 16  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 
 15 16  1  0  0  0  0 
S  SKP  5 
ID	LBF12000BC16 
FORMULA	C14H28O2 
EXACTMASS	228.20893013999998 
AVERAGEMASS	228.37091999999998 
SMILES	CCCCCCCCC(C)CC(C)C(O)=O 
M  END