Mol:FL5FGCNS0025

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FL5FGCNS0025.png

 
 
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 29 33  0  0  0  0  0  0  0  0999 V2000 
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   -0.2980   -0.8468    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
    0.2583   -0.5256    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
    0.2583    0.1167    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
   -0.2980    0.4379    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0 
   -0.2980   -1.3476    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0 
    0.8144    0.4378    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
    1.3813    0.1105    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
    1.9483    0.4378    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
    1.9483    1.0925    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
    1.3813    1.4198    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
    0.8144    1.0925    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
   -2.5779    0.3152    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0 
   -2.9554   -0.2044    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
   -2.5779   -0.7241    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0 
    2.5923    0.2652    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0 
    2.9554    0.8244    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
    2.5359    1.3425    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0 
    1.1243   -1.0256    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0 
    1.9904   -1.5255    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
   -1.8471   -1.0073    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0 
   -1.1326   -1.4198    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
   -1.1326    1.0110    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0 
   -0.6962    1.9107    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 
  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 
  1 18  1  0  0  0  0 
 18 19  1  0  0  0  0 
 19 20  1  0  0  0  0 
 20  2  1  0  0  0  0 
 14 21  1  0  0  0  0 
 21 22  1  0  0  0  0 
 22 23  1  0  0  0  0 
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  8 24  1  0  0  0  0 
 24 25  1  0  0  0  0 
  3 26  1  0  0  0  0 
 26 27  1  0  0  0  0 
  6 28  1  0  0  0  0 
 28 29  1  0  0  0  0 
M  STY  1   3 SUP 
M  SLB  1   3   3 
M  SAL   3  2  28  29 
M  SBL   3  1  32 
M  SMT   3  OCH3 
M  SVB   3 32   -1.1326     1.011 
M  STY  1   2 SUP 
M  SLB  1   2   2 
M  SAL   2  2  26  27 
M  SBL   2  1  30 
M  SMT   2  OCH3 
M  SVB   2 30   -1.8471   -1.0073 
M  STY  1   1 SUP 
M  SLB  1   1   1 
M  SAL   1  2  24  25 
M  SBL   1  1  28 
M  SMT   1  OCH3 
M  SVB   1 28    0.4686   -0.7106 
S  SKP  8 
ID	FL5FGCNS0025 
KNApSAcK_ID	C00005067 
NAME	3,5,8-Trimethoxy-6,7:3',4'-bis(methylenedioxy)flavone;6-(1,3-Benzodioxol-5-yl)-4,7,9-trimethoxy-8H-1,3-dioxolo[4,5-g][1]benzopyran-8-one 
CAS_RN	80370-39-4 
FORMULA	C20H16O9 
EXACTMASS	400.07943210999997 
AVERAGEMASS	400.33564 
SMILES	O(C1)c(c2)c(ccc2C(O3)=C(C(c(c(OC)4)c3c(OC)c(O5)c4OC5)=O)OC)O1 
M  END
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