Mol:LBF20403TX02

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LBF20403TX02.png

 
 
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 26 26  0  0  0  0  0  0  0  0999 V2000 
    5.4641    4.0000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
    4.5981    3.5000    0.0000 C   0  0  3  0  0  0  0  0  0  0  0  0 
    5.4641    2.0000    0.0000 C   0  0  1  0  0  0  0  0  0  0  0  0 
    6.3301    2.5000    0.0000 C   0  0  2  0  0  0  0  0  0  0  0  0 
    6.3301    3.5000    0.0000 C   0  0  1  0  0  0  0  0  0  0  0  0 
    7.1962    2.0000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
    7.1962    1.0000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
    8.0622    0.5000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
    8.0622   -0.5000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
    8.9282   -1.0000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
    8.9282   -2.0000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
    9.7942   -2.5000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
    5.4641    1.0000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
    4.5981    0.5000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
    4.5981   -0.5000    0.0000 C   0  0  1  0  0  0  0  0  0  0  0  0 
    3.7321   -1.0000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
    3.7321   -2.0000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
    2.8660   -2.5000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
    2.8660   -3.5000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
    2.0000   -4.0000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
    4.5981    2.5000    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0 
    3.7321    4.0000    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0 
    7.1962    4.0000    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0 
    5.4641   -1.0000    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0 
   10.6603   -2.0000    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0 
    9.7942   -3.5000    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0 
  1  2  1  0  0  0  0 
  2 21  1  0  0  0  0 
  3 21  1  1  0  0  0 
  3  4  1  0  0  0  0 
  4  5  1  0  0  0  0 
  1  5  1  0  0  0  0 
  2 22  1  4  0  0  0 
  5 23  1  6  0  0  0 
  4  6  1  6  0  0  0 
  6  7  1  0  0  0  0 
  7  8  2  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  1  0  0  0  0 
  3 13  1  0  0  0  0 
 13 14  2  0  0  0  0 
 14 15  1  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 
 19 20  1  0  0  0  0 
 15 24  1  6  0  0  0 
 12 25  1  0  0  0  0 
 12 26  2  0  0  0  0 
S  SKP  5 
ID	LBF20403TX02 
FORMULA	C20H32O6 
EXACTMASS	368.219888756 
AVERAGEMASS	368.46448 
SMILES	C(=CC[C@@H](O)C=C[C@@H](O1)[C@H]([C@H](CC1O)O)CC=CCCCC(O)=O)CC 
M  END
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