Mol:FL3FFCNP0001

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FL3FFCNP0001.png

 
 
Copyright: ARM project http://www.metabolome.jp/ 
 31 34  0  0  0  0  0  0  0  0999 V2000 
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   -0.0874   -0.3075    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
   -0.0874    0.3348    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
   -0.6437    0.6560    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0 
   -0.6437   -1.1295    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0 
    0.4687    0.6559    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
    1.0356    0.3285    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
    1.6026    0.6559    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
    1.6026    1.3106    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
    1.0356    1.6379    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
    0.4687    1.3106    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
   -2.8689   -0.6287    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
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   -1.7563   -1.2711    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0 
   -2.6503   -2.1771    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
   -2.1460   -2.2140    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
   -2.6699    0.9536    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0 
   -3.1699    1.8196    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
   -1.4783    1.2290    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0 
   -1.0418    2.1287    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
    1.3190    2.2140    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0 
    1.7604    3.1113    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
    2.6026    1.3106    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0 
    3.6026    1.3106    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 
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 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 
  2 18  1  0  0  0  0 
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 19 20  1  0  0  0  0 
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 21  3  1  0  0  0  0 
 20 22  1  0  0  0  0 
 20 23  1  0  0  0  0 
  1 24  1  0  0  0  0 
 24 25  1  0  0  0  0 
  6 26  1  0  0  0  0 
 26 27  1  0  0  0  0 
 16 28  1  0  0  0  0 
 28 29  1  0  0  0  0 
 15 30  1  0  0  0  0 
 30 31  1  0  0  0  0 
M  STY  1   4 SUP 
M  SLB  1   4   4 
M  SAL   4  2  30  31 
M  SBL   4  1  33 
M  SMT   4  OCH3 
M  SVB   4 33    2.1545    1.6292 
M  STY  1   3 SUP 
M  SLB  1   3   3 
M  SAL   3  2  28  29 
M  SBL   3  1  31 
M  SMT   3  OCH3 
M  SVB   3 31     1.319     2.214 
M  STY  1   2 SUP 
M  SLB  1   2   2 
M  SAL   2  2  26  27 
M  SBL   2  1  29 
M  SMT   2  OCH3 
M  SVB   2 29   -1.4783     1.229 
M  STY  1   1 SUP 
M  SLB  1   1   1 
M  SAL   1  2  24  25 
M  SBL   1  1  27 
M  SMT   1  OCH3 
M  SVB   1 27   -2.6699    0.9536 
S  SKP  8 
ID	FL3FFCNP0001 
KNApSAcK_ID	C00004067 
NAME	7,8,3',4'-Tetramethoxy-6'',6''-dimethylpyrano[2'',3'':5,6]flavone 
CAS_RN	137319-32-5 
FORMULA	C24H24O7 
EXACTMASS	424.152203122 
AVERAGEMASS	424.44316000000003 
SMILES	O(c42)C(=CC(=O)c2c(c3c(c4OC)OC)OC(C)(C)C=C3)c(c1)ccc(c(OC)1)OC 
M  END
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