Mol:LBF20406HX02

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LBF20406HX02.png

 
 
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 24 24  0  0  0  0  0  0  0  0999 V2000 
    6.3301    0.9330    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
    5.4641    1.4330    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
    5.4641    2.4330    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
    4.5981    2.9330    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
    4.5981    3.9330    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
    3.7321    4.4330    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
    3.7321    5.4330    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
    2.8660    5.9330    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
    2.8660    6.9330    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
    6.3301   -0.0670    0.0000 C   0  0  3  0  0  0  0  0  0  0  0  0 
    7.1962   -0.5670    0.0000 C   0  0  2  0  0  0  0  0  0  0  0  0 
    7.6962   -1.4330    0.0000 C   0  0  2  0  0  0  0  0  0  0  0  0 
    7.6962   -2.4330    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
    8.5622   -2.9330    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
    8.5622   -3.9330    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
    9.4282   -4.4330    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
    9.4282   -5.4330    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
   10.2942   -5.9330    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
   10.2942   -6.9330    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
   11.1603   -7.4330    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
    5.4641   -0.5670    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0 
    8.1962   -0.5670    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0 
    3.7321    7.4330    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0 
    2.0000    7.4330    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0 
  2  1  2  0  0  0  0 
  2  3  1  0  0  0  0 
  3  4  1  0  0  0  0 
  4  5  2  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 
  5  6  1  0  0  0  0 
  1 10  1  0  0  0  0 
 10 11  1  0  0  0  0 
 11 12  1  0  0  0  0 
 10 21  1  4  0  0  0 
 12 13  1  0  0  0  0 
 13 14  1  0  0  0  0 
 14 15  2  0  0  0  0 
 15 16  1  0  0  0  0 
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 17 18  1  0  0  0  0 
 18 19  1  0  0  0  0 
 19 20  1  0  0  0  0 
 12 22  1  1  0  0  0 
 11 22  1  1  0  0  0 
  9 23  1  0  0  0  0 
  9 24  2  0  0  0  0 
S  SKP  5 
ID	LBF20406HX02 
FORMULA	C20H32O4 
EXACTMASS	336.23005951199997 
AVERAGEMASS	336.46567999999996 
SMILES	C(CC=CC[C@@H]([C@@H](C(O)C=CCC=CCCCC(O)=O)1)O1)CCC 
M  END
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