Mol:LBF10000BC04

 
 
Copyright: ARM project http://www.metabolome.jp/ 
 18 17  0  0  1  0  0  0  0  0999 V2000 
   -1.9199    1.2778    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
   -0.0710    1.2778    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
    0.8632    1.2778    0.0000 C   0  0  3  0  0  0  0  0  0  0  0  0 
    0.8632    0.6566    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
    0.2930    0.6566    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
   -0.7019    0.6566    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
   -1.6628    0.6566    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
   -1.3801    1.2778    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
   -0.9676    0.5634    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
   -1.3801   -0.1511    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
   -0.9676   -0.8656    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
   -1.3801   -1.5801    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
   -0.9676   -2.2945    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
    1.5074    1.2778    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
    1.9199    1.9923    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0 
    1.9199    0.5634    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0 
    1.5777    2.2945    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
    0.8632    1.8820    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
  3  2  1  4  0  0  0 
  3  4  1  0  0  0  0 
  4  5  1  0  0  0  0 
  6  5  1  0  0  0  0 
  6  7  1  0  0  0  0 
  1  8  1  0  0  0  0 
  2 13  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 
  3 14  1  0  0  0  0 
 14 15  2  0  0  0  0 
 14 16  1  0  0  0  0 
  3 18  1  0  0  0  0 
 17 18  1  0  0  0  0 
S  SKP  5 
ID	LBF10000BC04 
FORMULA	C16H32O2 
EXACTMASS	256.240230268 
AVERAGEMASS	256.42408 
SMILES	CCCCCCCCC(CC)(CCCC)C(O)=O 
M  END