Mol:LBF15000SC01

 
 
Copyright: ARM project http://www.metabolome.jp/ 
 17 16  0  0  0  0  0  0  0  0999 V2000 
    4.2852   -0.1581    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
    5.0002   -0.5692    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0 
    4.2852    0.6696    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0 
    3.6719   -0.6160    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
    2.9844   -0.1210    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
    2.3231   -0.6146    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
    1.6548   -0.1334    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
    0.9948   -0.6256    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
    0.3238   -0.1430    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
   -0.3389   -0.6366    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
   -1.0072   -0.1554    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
   -1.6672   -0.6476    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
   -2.3382   -0.1650    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
   -3.0009   -0.6586    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
   -3.6692   -0.1774    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
   -4.3292   -0.6696    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
   -5.0002   -0.1870    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
  1  2  1  0  0  0  0 
  1  3  2  0  0  0  0 
  4  1  1  0  0  0  0 
  4  5  1  0  0  0  0 
  5  6  1  0  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 
 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 
 16 17  1  0  0  0  0 
S  SKP  5 
ID	LBF15000SC01 
FORMULA	C15H30O2 
EXACTMASS	242.22458020399998 
AVERAGEMASS	242.3975 
SMILES	CCCCCCCCCCCCCCC(O)=O 
M  END