Mol:FL3F98NS0010

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FL3F98NS0010.png

<pre>

Copyright: ARM project http://www.metabolome.jp/
 23 25  0  0  0  0  0  0  0  0999 V2000
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    0.0286   -0.8188    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -0.9955   -2.2814    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    0.9398   -1.4569    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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    0.7695   -1.9371    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    1.1181   -2.6848    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.3317   -0.0809    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -2.1180   -0.8778    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.6877   -2.6809    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    3.5069   -3.2544    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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 15 16  1  0  0  0  0
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  2 20  1  0  0  0  0
 20 21  1  0  0  0  0
 14 22  1  0  0  0  0
 22 23  1  0  0  0  0
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    2.0624    0.1955
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   -2.7769   -0.4703
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    0.8548   -0.0893
S  SKP  8
ID	FL3F98NS0010
KNApSAcK_ID	C00003824
NAME	6,2',3'-Trimethoxyflavone
CAS_RN	79786-41-7
FORMULA	C18H16O5
EXACTMASS	312.099773622
AVERAGEMASS	312.31664
SMILES	C(c12)(=O)C=C(c(c(OC)3)cccc3OC)Oc1ccc(OC)c2
M  END

</pre>

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