Mol:LBF20207PG06

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LBF20207PG06.png

 
 
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 25 25  0  0  0  0  0  0  0  0999 V2000 
    7.4801   -0.3953    0.0000 C   0  0  2  0  0  0  0  0  0  0  0  0 
    7.1711   -1.3463    0.0000 C   0  0  2  0  0  0  0  0  0  0  0  0 
    7.9801   -1.9341    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
    8.7891   -1.3463    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
    8.4801   -0.3953    0.0000 C   0  0  1  0  0  0  0  0  0  0  0  0 
    6.2200   -1.6553    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
    6.0121   -2.6335    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
    6.8923    0.4137    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
    7.2991    1.3273    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
    6.7113    2.1363    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
    7.1180    3.0499    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
    6.5302    3.8589    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
    5.0611   -2.9425    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
    4.8532   -3.9207    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
    3.9021   -4.2297    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
    3.6942   -5.2078    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
    2.7431   -5.5168    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
    6.9370    4.7724    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
    6.3492    5.5814    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
    6.7559    6.4950    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
    7.9801   -2.9341    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0 
    5.7168    2.0318    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0 
    9.0679    0.4137    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0 
    2.0000   -4.8477    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0 
    2.5352   -6.4950    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 
  3  4  1  0  0  0  0 
  4  5  1  0  0  0  0 
  1  5  1  0  0  0  0 
  6  7  1  0  0  0  0 
  8  9  2  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 
  1  8  1  1  0  0  0 
 10 22  2  0  0  0  0 
  3 21  2  0  0  0  0 
  5 23  1  6  0  0  0 
  7 13  1  0  0  0  0 
 13 14  1  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 
 12 18  1  0  0  0  0 
 18 19  1  0  0  0  0 
 19 20  1  0  0  0  0 
  2  6  1  6  0  0  0 
 17 24  1  0  0  0  0 
 17 25  2  0  0  0  0 
S  SKP  5 
ID	LBF20207PG06 
FORMULA	C20H32O5 
EXACTMASS	352.224974134 
AVERAGEMASS	352.46508 
SMILES	C(CCC(=O)C=C[C@H]([C@H]1CCCCCCC(O)=O)[C@@H](CC1=O)O)CC 
M  END
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