Mol:FL5FFCNI0005

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FL5FFCNI0005.png

 
 
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 31 33  0  0  0  0  0  0  0  0999 V2000 
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   -3.6468    0.1843    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0 
    1.9570    0.8397    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
    2.5215    1.1655    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
    3.0847    0.8403    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
    3.6468    1.1648    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
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   -2.2563    0.7574    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0 
   -1.8197    1.6570    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
    0.5410    1.7424    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0 
    0.9824    2.6397    0.0000 C   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 
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  7 11  2  0  0  0  0 
  9 12  1  0  0  0  0 
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 17 12  1  0  0  0  0 
  3 18  1  0  0  0  0 
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  1 20  1  0  0  0  0 
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  8 26  1  0  0  0  0 
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 28 29  1  0  0  0  0 
 16 30  1  0  0  0  0 
 30 31  1  0  0  0  0 
M  STY  1   3 SUP 
M  SLB  1   3   3 
M  SAL   3  2  30  31 
M  SBL   3  1  32 
M  SMT   3  OCH3 
M  SVB   3 32     0.541    1.7424 
M  STY  1   2 SUP 
M  SLB  1   2   2 
M  SAL   2  2  28  29 
M  SBL   2  1  30 
M  SMT   2  OCH3 
M  SVB   2 30   -2.2563    0.7574 
M  STY  1   1 SUP 
M  SLB  1   1   1 
M  SAL   1  2  26  27 
M  SBL   1  1  28 
M  SMT   1  OCH3 
M  SVB   1 28   -0.6552   -0.9641 
S  SKP  8 
ID	FL5FFCNI0005 
KNApSAcK_ID	C00005028 
NAME	5,7-Dihydroxy-3,8,3'-trimethoxy-4'-prenyloxyflavone 
CAS_RN	160036-31-7 
FORMULA	C23H24O8 
EXACTMASS	428.14711774399996 
AVERAGEMASS	428.43186000000003 
SMILES	O=C(c21)C(OC)=C(c(c3)cc(OC)c(OCC=C(C)C)c3)Oc1c(OC)c(cc2O)O 
M  END
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