Mol:LBF20407HO01

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LBF20407HO01.png

 
 
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 26 25  0  0  1  0  0  0  0  0999 V2000 
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   -1.7218    0.0812    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
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   -0.4051    0.0957    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
    0.0275    0.0957    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
    0.6931    0.0957    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
   -2.5184    0.0957    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
   -2.5184    0.9208    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0 
   -3.2329    1.3334    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0 
    1.3725    0.0957    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
    1.3725   -0.7293    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0 
    2.0871   -1.1419    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0 
    2.1547    0.0957    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
    2.5672   -0.6188    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
    3.3923   -0.6188    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
   -3.1884    0.0957    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
   -2.7758   -0.6188    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
   -1.9508   -0.6188    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
   -1.5382   -1.3334    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
    2.7918    0.0957    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
    3.2044    0.8103    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0 
    3.2044   -0.6188    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0 
   -1.7218    0.0812    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
   -1.0561    0.0957    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
    0.0275    0.0957    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
    0.6931    0.0957    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
 23 24  1  0  0  0  0 
  3  4  1  0  0  0  0 
  4 25  1  0  0  0  0 
  5 26  1  0  0  0  0 
  7  2  1  4  0  0  0 
  7  8  1  0  0  0  0 
  8  9  1  0  0  0  0 
  6 10  1  0  0  0  0 
 10 11  1  0  0  0  0 
 11 12  1  0  0  0  0 
 10 13  1  0  0  0  0 
 13 14  1  0  0  0  0 
 15 14  1  4  0  0  0 
  1 16  1  0  0  0  0 
  7 19  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 
 15 20  1  0  0  0  0 
 20 21  2  0  0  0  0 
 20 22  1  0  0  0  0 
  2 23  2  0  0  0  0 
  3 24  2  0  0  0  0 
  5 25  2  0  0  0  0 
  6 26  2  0  0  0  0 
S  SKP  5 
ID	LBF20407HO01 
FORMULA	C20H32O6 
EXACTMASS	368.219888756 
AVERAGEMASS	368.46448 
SMILES	C(CCC(OO)C=CC=CCC=CC=CC(OO)CCCC(O)=O)CC 
M  END
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