Mol:FL3F1LNS0001

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FL3F1LNS0001.png

<pre>

Copyright: ARM project http://www.metabolome.jp/
 25 27  0  0  0  0  0  0  0  0999 V2000
   -2.4197   -0.0651    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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    0.9286    1.2380    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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    2.0624    1.2379    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
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    2.3616   -0.2440    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
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   -2.7769    0.5537    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -3.2768    1.4198    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.0044    1.5294    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -0.4957    2.3954    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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 17 24  1  0  0  0  0
 24 25  1  0  0  0  0
M  STY  1   4 SUP
M  SLB  1   4   4
M  SAL   4  2  24  25
M  SBL   4  1  26
M  SMT   4  OCH3
M  SVB   4 26    0.0044    1.5294
M  STY  1   3 SUP
M  SLB  1   3   3
M  SAL   3  2  22  23
M  SBL   3  1  24
M  SMT   3  OCH3
M  SVB   3 24   -2.7769    0.5537
M  STY  1   2 SUP
M  SLB  1   2   2
M  SAL   2  2  20  21
M  SBL   2  1  22
M  SMT   2  OCH3
M  SVB   2 22    1.7052    0.0498
M  STY  1   1 SUP
M  SLB  1   1   1
M  SAL   1  2  18  19
M  SBL   1  1  20
M  SMT   1  OCH3
M  SVB   1 20    2.0624    1.2379
S  SKP  8
ID	FL3F1LNS0001
KNApSAcK_ID	C00004072
NAME	7,2',4',5'-Tetramethoxyflavone
CAS_RN	159119-06-9
FORMULA	C19H18O6
EXACTMASS	342.110338308
AVERAGEMASS	342.34262
SMILES	c(c(OC)1)(OC)cc(c(C(=C3)Oc(c(C(=O)3)2)cc(OC)cc2)c1)OC
M  END

</pre>

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