Mol:LBF16204SC01

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LBF16204SC01.png

 
 
Copyright: ARM project http://www.metabolome.jp/ 
 18 17  0  0  0  0  0  0  0  0999 V2000 
    3.7503   -0.6256    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
    4.3636   -0.1952    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
    5.0786   -0.6064    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0 
    4.3636    0.6325    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0 
    3.2553   -0.1581    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
    2.5788   -0.6325    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
    1.9807   -0.0674    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
    1.3042   -0.5417    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
    0.7047    0.0248    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
    0.0282   -0.4496    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
   -0.5727    0.1183    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
   -1.2492   -0.3561    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
   -1.8487    0.2104    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
   -2.5252   -0.2640    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
   -3.1261    0.3039    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
   -3.8026   -0.1705    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
   -4.4021    0.3960    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
   -5.0786   -0.0784    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 
  1  5  1  0  0  0  0 
  5  6  1  0  0  0  0 
  6  7  1  0  0  0  0 
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  8  9  1  0  0  0  0 
  9 10  1  0  0  0  0 
 10 11  1  0  0  0  0 
 11 12  2  0  0  0  0 
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 14 15  2  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 
S  SKP  5 
ID	LBF16204SC01 
FORMULA	C16H28O2 
EXACTMASS	252.20893013999998 
AVERAGEMASS	252.39231999999998 
SMILES	CCCC=CCC=CCCCCCCCC(O)=O 
M  END
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