Mol:LBF18303SC02

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LBF18303SC02.png

 
 
Copyright: ARM project http://www.metabolome.jp/ 
 20 19  0  0  0  0  0  0  0  0999 V2000 
    3.1102   -0.6566    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
    3.6823    0.0309    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
    4.2873   -0.6098    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0 
    3.6823    0.7116    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0 
    2.5602    0.0859    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
    2.0102   -0.6566    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
    1.5152    0.0859    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
    1.0477   -0.7116    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
    0.6077    0.0859    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
    0.1402   -0.7116    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
   -0.2998    0.0859    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
   -0.7673   -0.6566    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
   -1.1798    0.0859    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
   -1.6748   -0.6566    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
   -2.0598    0.0859    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
   -2.5548   -0.6291    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
   -2.9948    0.0859    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
   -3.3798   -0.6291    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
   -3.8198    0.0859    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
   -4.2873   -0.6291    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 
  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  2  0  0  0  0 
 12 13  1  0  0  0  0 
 13 14  1  0  0  0  0 
 15 14  2  0  0  0  0 
 15 16  1  0  0  0  0 
 16 17  1  0  0  0  0 
 17 18  2  0  0  0  0 
 18 19  1  0  0  0  0 
 20 19  1  0  0  0  0 
S  SKP  5 
ID	LBF18303SC02 
FORMULA	C18H30O2 
EXACTMASS	278.224580204 
AVERAGEMASS	278.4296 
SMILES	CCC=CCC=CCC=CCCCCCCCC(O)=O 
M  END
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