Mol:FL3FACGS0016

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FL3FACGS0016.png

 
 
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 33 36  0  0  0  0  0  0  0  0999 V2000 
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    1.7894    0.8708    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0 
    0.4318    2.7596    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
   -0.0170    3.5370    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0 
    1.3293    2.7597    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 
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 18  1  1  0  0  0  0 
  3 19  1  0  0  0  0 
 15 20  1  0  0  0  0 
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 31 32  2  0  0  0  0 
 31 33  1  0  0  0  0 
 26 31  1  0  0  0  0 
M  STY  1   1 SUP 
M  SLB  1   1   1 
M  SAL   1  3  31  32  33 
M  SBL   1  1  36 
M  SMT   1 COOH 
M  SBV   1  36   -0.0573   -0.6588 
S  SKP  5 
ID	FL3FACGS0016 
FORMULA	C21H18O12 
EXACTMASS	462.07982604 
AVERAGEMASS	462.36042 
SMILES	C(C(C(O)=O)1)(O)C(C(C(Oc(c(O)4)cc(cc4)C(=C2)Oc(c3)c(c(cc(O)3)O)C(=O)2)O1)O)O 
M  END
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