Mol:LBF20406HO05

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LBF20406HO05.png

 
 
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 26 25  0  0  1  0  0  0  0  0999 V2000 
   -3.3890    0.3569    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
   -2.5160    0.3569    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
   -1.8656    0.3569    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
   -0.6375    0.3569    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
    0.0275    0.3569    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
    0.6924    0.3569    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
   -3.1853    0.3569    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
   -2.7731   -0.3569    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
   -1.9489   -0.3569    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
   -1.5367   -1.0708    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
    1.3712    0.3569    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
    1.3712   -0.4674    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0 
    2.0851   -0.8795    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0 
   -1.4341    0.3569    0.0000 C   0  0  3  0  0  0  0  0  0  0  0  0 
   -1.4341   -0.4674    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0 
   -0.7203   -0.8795    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0 
    2.7891    0.3569    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
    3.2013    1.0708    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0 
    3.2013   -0.3569    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0 
    2.1526    0.3569    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
    2.5647   -0.3569    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
    3.3890   -0.3569    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
   -2.5160    0.3569    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
   -0.6375    0.3569    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
    0.0275    0.3569    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
    0.6924    0.3569    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
 23  3  1  0  0  0  0 
 24 25  1  0  0  0  0 
  5 26  1  0  0  0  0 
  1  7  1  0  0  0  0 
  2 10  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 
  6 11  1  0  0  0  0 
 11 12  1  0  0  0  0 
 12 13  1  0  0  0  0 
  3 14  1  0  0  0  0 
 14  4  1  4  0  0  0 
 14 15  1  0  0  0  0 
 15 16  1  0  0  0  0 
 17 18  2  0  0  0  0 
 17 19  1  0  0  0  0 
 11 20  1  0  0  0  0 
 17 22  1  0  0  0  0 
 20 21  1  0  0  0  0 
 21 22  1  0  0  0  0 
  2 23  2  0  0  0  0 
  4 24  2  0  0  0  0 
  5 25  2  0  0  0  0 
  6 26  2  0  0  0  0 
S  SKP  5 
ID	LBF20406HO05 
FORMULA	C20H32O6 
EXACTMASS	368.219888756 
AVERAGEMASS	368.46448 
SMILES	C(CC=CCC(OO)C=CC=CC=CC(OO)CCCC(O)=O)CCC 
M  END
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