Mol:LBF20403TX01

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LBF20403TX01.png

 
 
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 25 26  0  0  0  0  0  0  0  0999 V2000 
    5.4186    4.6818    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
    4.5981    3.5000    0.0000 C   0  0  1  0  0  0  0  0  0  0  0  0 
    4.5981    2.5000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
    5.4641    2.0000    0.0000 C   0  0  2  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  2  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 
    8.0622    2.5000    0.0000 C   0  0  0  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 
    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 
    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 
   10.6603    2.0000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
   11.5263    2.5000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
   12.3923    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 
    5.4186    3.0909    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 
   12.3923    1.0000    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0 
   13.2583    2.5000    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0 
  1  2  1  0  0  0  0 
  2  3  1  0  0  0  0 
  4  3  1  0  0  0  0 
  4  5  1  0  0  0  0 
  5  6  1  0  0  0  0 
  1  6  1  0  0  0  0 
  4  7  1  6  0  0  0 
  7  8  2  0  0  0  0 
  9 10  1  0  0  0  0 
  5 10  1  6  0  0  0 
  6 22  1  6  0  0  0 
  2 22  1  6  0  0  0 
  8 11  1  0  0  0  0 
 11 12  1  0  0  0  0 
 12 13  1  0  0  0  0 
  9 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  1  0  0  0  0 
 11 23  1  6  0  0  0 
 13 19  2  0  0  0  0 
 19 20  1  0  0  0  0 
 20 21  1  0  0  0  0 
 18 24  1  0  0  0  0 
 18 25  2  0  0  0  0 
S  SKP  5 
ID	LBF20403TX01 
FORMULA	C21H32O4 
EXACTMASS	348.23005951199997 
AVERAGEMASS	348.47637999999995 
SMILES	C([C@H]([C@H](C=C[C@H](O)CC=CCC)2)[C@@H](C1)O[C@H](C2)1)C=CCCCC(O)=O 
M  END
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