Mol:FL3FACGS0068

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FL3FACGS0068.png

 
 
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 36 39  0  0  0  0  0  0  0  0999 V2000 
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    1.4354    0.0157    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0 
    3.9516    1.6245    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
    3.3817    1.9535    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0 
    4.4770    1.9278    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
    4.5798   -0.0631    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
    5.0286    0.7143    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0 
    5.0286   -0.8404    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0 
  1  2  1  0  0  0  0 
  2  3  2  0  0  0  0 
  3  4  1  0  0  0  0 
  4  5  2  0  0  0  0 
  5  6  1  0  0  0  0 
  6  1  2  0  0  0  0 
  4  7  1  0  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  5  1  0  0  0  0 
  7 11  2  0  0  0  0 
  9 12  1  0  0  0  0 
 12 13  2  0  0  0  0 
 13 14  1  0  0  0  0 
 14 15  2  0  0  0  0 
 15 16  1  0  0  0  0 
 16 17  2  0  0  0  0 
 17 12  1  0  0  0  0 
  3 18  1  0  0  0  0 
 19  1  1  0  0  0  0 
 15 20  1  0  0  0  0 
 21 22  1  0  0  0  0 
 22 23  1  1  0  0  0 
 23 24  1  1  0  0  0 
 25 24  1  1  0  0  0 
 25 26  1  0  0  0  0 
 26 21  1  0  0  0  0 
 21 27  1  0  0  0  0 
 26 28  1  0  0  0  0 
 25 29  1  0  0  0  0 
 14 30  1  0  0  0  0 
 22 30  1  0  0  0  0 
 28 31  1  0  0  0  0 
 31 32  2  0  0  0  0 
 31 33  1  0  0  0  0 
 34 35  2  0  0  0  0 
 34 36  1  0  0  0  0 
 24 34  1  0  0  0  0 
M  STY  1   1 SUP 
M  SLB  1   1   1 
M  SAL   1  3  34  35  36 
M  SBL   1  1  39 
M  SMT   1 COOH 
M  SBV   1  39   -0.8159   -0.1430 
S  SKP  5 
ID	FL3FACGS0068 
FORMULA	C23H20O13 
EXACTMASS	504.090390726 
AVERAGEMASS	504.3971 
SMILES	C(O)(C(Oc(c4O)cc(cc4)C(O3)=CC(c(c32)c(O)cc(O)c2)=O)1)C(OC(C)=O)C(O)C(C(O)=O)O1 
M  END
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