Mol:LBF16000HO02

 
 
Copyright: ARM project http://www.metabolome.jp/ 
 19 18  0  0  1  0  0  0  0  0999 V2000 
    3.0949    0.3204    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
    3.6778   -0.2626    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
    4.3049    0.3204    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
    4.8920   -0.1787    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0 
    4.3103    1.0876    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0 
    2.5119   -0.2626    0.0000 C   0  0  3  0  0  0  0  0  0  0  0  0 
    1.9289    0.3204    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
    1.3458   -0.2626    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
    0.7628    0.3204    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
    0.1799   -0.2626    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
   -0.4031    0.3204    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
   -0.9861   -0.2626    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
   -1.5967    0.4029    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
   -2.3450   -0.3730    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
   -2.9284    0.2104    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
   -3.5118   -0.3730    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
   -4.0951    0.2104    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
   -4.8920   -0.0031    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
    2.5119   -1.0876    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0 
  1  2  1  0  0  0  0 
  2  3  1  0  0  0  0 
  3  4  1  0  0  0  0 
  3  5  2  0  0  0  0 
  1  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 
 17 18  1  0  0  0  0 
  6 19  1  4  0  0  0 
S  SKP  5 
ID	LBF16000HO02 
FORMULA	C16H32O3 
EXACTMASS	272.23514489 
AVERAGEMASS	272.42348 
SMILES	CCCCCCCCCCCCC(O)CCC(O)=O 
M  END