Mol:LBF20406CV02

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LBF20406CV02.png

 
 
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 27 28  0  0  0  0  0  0  0  0999 V2000 
    6.6359    0.4497    0.0000 C   0  0  1  0  0  0  0  0  0  0  0  0 
    6.3269   -0.5013    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
    7.1359   -1.0891    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
    7.9449   -0.5013    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
    7.6359    0.4497    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
    5.3758   -0.8104    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
    5.6848    0.7587    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
    5.4769    1.7369    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
    4.5258    2.0459    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
    4.3179    3.0241    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
    3.3669    3.3331    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
    3.1590    4.3112    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
    2.2079    4.6202    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
    2.0000    5.5984    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
    5.1679   -1.7885    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
    4.2168   -2.0975    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
    4.0089   -3.0757    0.0000 C   0  0  1  0  0  0  0  0  0  0  0  0 
    3.0954   -3.4824    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
    3.1999   -4.4769    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
    4.1781   -4.6848    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
    7.5019    1.9497    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
    7.5019    2.9497    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
    7.1359   -2.0891    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0 
    6.6359    1.4497    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0 
    4.6781   -3.8188    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0 
    4.5848   -5.5984    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0 
    8.3679    1.4497    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  2  0  0  0  0 
  1  5  1  0  0  0  0 
  2  6  2  0  0  0  0 
  1  7  1  6  0  0  0 
  7  8  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 
  3 23  2  0  0  0  0 
  1 24  1  1  0  0  0 
 11 12  1  0  0  0  0 
 12 13  1  0  0  0  0 
 13 14  1  0  0  0  0 
  6 15  1  0  0  0  0 
 15 16  2  0  0  0  0 
 17 16  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 
 20 25  1  0  0  0  0 
 17 25  1  6  0  0  0 
 20 26  2  0  0  0  0 
 24 21  1  0  0  0  0 
 21 27  2  0  0  0  0 
 21 22  1  0  0  0  0 
S  SKP  5 
ID	LBF20406CV02 
FORMULA	C22H28O5 
EXACTMASS	372.193674006 
AVERAGEMASS	372.45472000000007 
SMILES	CC(=O)O[C@@](CC=CCCCCC)(C=2)C(C(C2)=O)=CC=C[C@H](O1)CCC(=O)1 
M  END
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