Mol:FLIAA9NS0001

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FLIAA9NS0001.png

 
 
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 20 22  0  0  0  0  0  0  0  0999 V2000 
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    0.4184    0.0451    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
    0.4184    0.6874    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
   -0.1379    1.0086    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0 
    0.9745   -0.2760    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
    0.9745   -0.9628    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
    1.5693   -1.3062    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
    2.1641   -0.9628    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
    2.1641   -0.2760    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
    1.5693    0.0674    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
   -0.1379   -0.9182    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0 
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   -2.1641    1.3062    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0 
   -2.6641    2.1722    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 
 10  5  1  0  0  0  0 
  8 11  1  0  0  0  0 
 11 12  2  0  0  0  0 
 12 13  1  0  0  0  0 
 13 14  2  0  0  0  0 
 14 15  1  0  0  0  0 
 15 16  2  0  0  0  0 
 16 11  1  0  0  0  0 
  7 17  2  0  0  0  0 
  3 18  1  0  0  0  0 
  1 19  1  0  0  0  0 
 19 20  1  0  0  0  0 
M  STY  1   1 SUP 
M  SLB  1   1   1 
M  SAL   1  2  19  20 
M  SBL   1  1  21 
M  SMT   1  OCH3 
M  SVB   1 21   -2.1641    1.3062 
S  SKP  8 
ID	FLIAA9NS0001 
KNApSAcK_ID	C00009450 
NAME	5-Hydroxy-7-methoxyisoflavone 
CAS_RN	19725-43-0 
FORMULA	C16H12O4 
EXACTMASS	268.073558872 
AVERAGEMASS	268.26408 
SMILES	COc(c3)cc(O2)c(c(O)3)C(=O)C(=C2)c(c1)cccc1 
M  END
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