Mol:093g FLIJ

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093g FLIJ.png

 
 
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 30 33  0  0  0  0  0  0  0  0999 V2000 
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   -2.1023   -1.2373    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
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    0.7555   -1.2373    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
    0.7555   -0.4124    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
    0.0411    0.0001    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0 
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    0.0410    2.4748    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
    1.4700   -1.6498    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0 
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    2.8989   -1.6498    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
    3.6134   -1.2373    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
    3.6134   -0.4123    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
    2.8989    0.0002    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
    2.1845   -0.4123    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
    2.8989   -2.4748    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0 
    4.3279    0.0002    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0 
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   -2.8166   -1.6497    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
   -3.9435    0.3021    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
   -4.3279   -0.6259    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
  2  3  1  0 
  3  4  2  0 
  4  5  1  0 
  5  6  2  0 
  6  1  1  0 
  4  7  1  0 
  7  8  1  0 
  8  9  1  0 
  9 10  1  0 
 10  5  1  0 
  1  2  2  0 
  6 11  1  0 
 11 12  1  0 
 12 13  2  0 
 13 14  1  0 
 13 15  1  0 
  8 16  1  0 
 16 17  1  0 
 17 18  1  0 
 18 19  2  0 
 19 20  1  0 
 20 21  2  0 
 21 22  1  0 
 22 17  2  0 
 18 23  1  0 
 20 24  1  0 
  1 25  1  0 
 25 26  1  0 
 26 27  1  0 
 27 28  2  0 
 28  2  1  0 
 26 29  1  0 
 26 30  1  0 
S  SKP  5 
ID	093g FLIJ 
FORMULA	C25H28O5 
EXACTMASS	408.193674006 
AVERAGEMASS	408.48682 
SMILES	CC(C)=CCc(c21)c(O4)c(C=CC(C)(C)4)cc(CC(Oc(c3)c(O)cc(O)c3)CO2)1 
M  END
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