Mol:LBF12000BC15

 
 
Copyright: ARM project http://www.metabolome.jp/ 
 16 15  0  0  1  0  0  0  0  0999 V2000 
   -3.8181    1.1679    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
   -0.0990   -1.7091    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
    1.0357    1.1679    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
    1.4481    0.4535    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
    2.2731    0.4535    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
    2.6856   -0.2610    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
    3.4056    1.1679    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
    3.8181    1.8824    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0 
    3.8181    0.4535    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0 
   -2.9902    1.1679    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
   -2.5777    0.4535    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
   -2.9902   -0.2610    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
   -2.5777   -0.9754    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
   -2.9077   -1.8824    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
   -1.3113   -0.0695    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
   -0.5969    0.3430    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
  2  3  1  4  0  0  0 
  3  4  1  0  0  0  0 
  4  5  1  0  0  0  0 
  6  5  1  4  0  0  0 
  6  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 14  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 
  2 16  1  0  0  0  0 
 15 16  1  0  0  0  0 
S  SKP  5 
ID	LBF12000BC15 
FORMULA	C14H28O2 
EXACTMASS	228.20893013999998 
AVERAGEMASS	228.37091999999998 
SMILES	CCCCCCC(CC)CCCCC(O)=O 
M  END