Mol:LBF14106SC01

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LBF14106SC01.png

 
 
Copyright: ARM project http://www.metabolome.jp/ 
 16 15  0  0  0  0  0  0  0  0999 V2000 
    3.0821   -0.5727    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
    3.6953   -0.1423    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
    4.4103   -0.5534    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0 
    3.6953    0.6854    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0 
    2.4771   -0.1052    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
    1.8446   -0.5727    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
    1.1928   -0.0694    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
    0.5301   -0.5589    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
   -0.1066   -0.1052    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
   -0.7404   -0.5589    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
   -1.4829   -0.5589    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
   -2.0329   -0.1052    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
   -2.5554   -0.6277    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
   -3.1921   -0.1024    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
   -3.7751   -0.6854    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
   -4.4103   -0.1616    0.0000 C   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 
  2  4  2  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 
  1  5  1  0  0  0  0 
  8  9  1  0  0  0  0 
  9 10  1  0  0  0  0 
 10 11  2  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	LBF14106SC01 
FORMULA	C14H26O2 
EXACTMASS	226.19328007599998 
AVERAGEMASS	226.35504 
SMILES	CCCCCC=CCCCCCCC(O)=O 
M  END
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