Mol:LBF20406HO01

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LBF20406HO01.png

 
 
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 24 23  0  0  1  0  0  0  0  0999 V2000 
   -3.2539    0.3572    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
   -2.3654    0.3572    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
   -1.6998    0.3572    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
   -0.4123    0.3572    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
    0.2679    0.3572    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
    0.9189    0.3572    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
    1.3805    0.3572    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
    2.0162    0.3572    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
    2.4288   -0.3572    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
    3.2539   -0.3572    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
   -1.2389    0.3572    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
   -1.2389   -0.4678    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0 
   -0.5243   -0.8803    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0 
    2.6680    0.3572    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
    3.0805    1.0718    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0 
    3.0805   -0.3572    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0 
   -3.0354    0.3572    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
   -2.6229   -0.3572    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
   -1.7978   -0.3572    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
   -1.3852   -1.0718    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
   -2.3654    0.3572    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
   -0.4123    0.3572    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
    0.2679    0.3572    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
    1.3805    0.3572    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
 21  3  1  0  0  0  0 
 22 23  1  0  0  0  0 
  5  6  1  0  0  0  0 
  6 24  1  0  0  0  0 
  7  8  1  4  0  0  0 
  8  9  1  0  0  0  0 
 10  9  1  4  0  0  0 
  3 11  1  0  0  0  0 
 11  4  1  4  0  0  0 
 11 12  1  0  0  0  0 
 12 13  1  0  0  0  0 
 10 14  1  0  0  0  0 
 14 15  2  0  0  0  0 
 14 16  1  0  0  0  0 
  1 17  1  0  0  0  0 
  2 20  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 
  2 21  2  0  0  0  0 
  4 22  2  0  0  0  0 
  5 23  2  0  0  0  0 
  7 24  2  0  0  0  0 
S  SKP  5 
ID	LBF20406HO01 
FORMULA	C20H32O4 
EXACTMASS	336.23005951199997 
AVERAGEMASS	336.46567999999996 
SMILES	C(CC=CCC(OO)C=CC=CCC=CCCCC(O)=O)CCC 
M  END
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