Mol:FL4DCDNS0001

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FL4DCDNS0001.png

<pre>

Copyright: ARM project http://www.metabolome.jp/
 24 26  0  0  0  0  0  0  0  0999 V2000
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   -2.2817    0.4740    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -2.7818    1.3400    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.4806    1.6478    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    1.9067    2.5525    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  2  0  0  0  0
  2  3  1  0  0  0  0
  3  4  2  0  0  0  0
  4  5  1  0  0  0  0
  5  6  2  0  0  0  0
  6  1  1  0  0  0  0
  3  7  1  0  0  0  0
  7  8  1  0  0  0  0
  8  9  1  0  0  0  0
  9 10  1  0  0  0  0
 10  4  1  0  0  0  0
  9 11  1  6  0  0  0
  7 12  2  0  0  0  0
 11 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
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  8 18  1  1  0  0  0
  2 19  1  0  0  0  0
 15 20  1  0  0  0  0
  6 21  1  0  0  0  0
 21 22  1  0  0  0  0
 16 23  1  0  0  0  0
 23 24  1  0  0  0  0
M  STY  1   2 SUP
M  SLB  1   2   2
M  SAL   2  2  23  24
M  SBL   2  1  25
M  SMT   2  OCH3
M  SVB   2 25    1.4806    1.6478
M  STY  1   1 SUP
M  SLB  1   1   1
M  SAL   1  2  21  22
M  SBL   1  1  23
M  SMT   1  OCH3
M  SVB   1 23   -2.2817     0.474
S  SKP  8
ID	FL4DCDNS0001
KNApSAcK_ID	C00008581
NAME	Taxifolin 7,3'-dimethyl ether
CAS_RN	37971-67-8
FORMULA	C17H16O7
EXACTMASS	332.089602866
AVERAGEMASS	332.30474
SMILES	COc(c3)cc(O1)c(c(O)3)C(=O)[C@H](O)[C@H]1c(c2)cc(OC)c(O)c2
M  END

</pre>

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