Mol:LBF18303HP05

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LBF18303HP05.png

 
 
Copyright: ARM project http://www.metabolome.jp/ 
 25 24  0  0  1  0  0  0  0  0999 V2000 
   -3.1464    1.4277    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
   -2.8553    1.4277    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
   -2.3315    1.4277    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
   -1.5065    1.4277    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
    0.2599    1.4277    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
    2.7342    1.4277    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
    3.1464    0.7139    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0 
    3.1464    2.1416    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0 
    2.7342    2.8554    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
   -0.6968    1.4277    0.0000 C   0  0  3  0  0  0  0  0  0  0  0  0 
   -0.6968    0.6034    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0 
    0.0171    0.1913    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0 
    1.0704    1.4423    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
    1.0704    2.2665    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0 
    0.3565    2.6787    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0 
    1.9972    1.4277    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
    2.4094    0.7139    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
    1.9972    0.0000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
    2.4094   -0.7139    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
    1.9972   -1.4277    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
    2.4094   -2.1416    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
    1.9972   -2.8554    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
   -2.3315    1.4277    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
   -1.5065    1.4277    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
    0.2599    1.4277    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
  1  2  1  0  0  0  0 
  2 23  1  0  0  0  0 
  3 24  1  0  0  0  0 
  6  7  2  0  0  0  0 
  6  8  1  0  0  0  0 
  8  9  1  0  0  0  0 
 10  4  1  4  0  0  0 
 25 10  1  0  0  0  0 
 10 11  1  0  0  0  0 
 11 12  1  0  0  0  0 
  5 13  1  0  0  0  0 
 13 14  1  0  0  0  0 
 14 15  1  0  0  0  0 
 13 16  1  0  0  0  0 
  6 22  1  0  0  0  0 
 16 17  1  0  0  0  0 
 17 18  1  0  0  0  0 
 18 19  1  0  0  0  0 
 19 20  1  0  0  0  0 
 20 21  1  0  0  0  0 
 21 22  1  0  0  0  0 
  3 23  2  0  0  0  0 
  4 24  2  0  0  0  0 
  5 25  2  0  0  0  0 
S  SKP  5 
ID	LBF18303HP05 
FORMULA	C19H32O6 
EXACTMASS	356.219888756 
AVERAGEMASS	356.45378 
SMILES	CCC=CC=CC(OO)C=CC(OO)CCCCCCCC(=O)OC 
M  END
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