Mol:FL5FDDNM0003

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FL5FDDNM0003.png

<pre>

Copyright: ARM project http://www.metabolome.jp/
 26 28  0  0  0  0  0  0  0  0999 V2000
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    1.2859    1.1663    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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    1.0288   -1.2791    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    1.8949   -1.7790    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.5693    1.7424    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    2.0107    2.6397    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.4197    0.4820    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -2.9197    1.3480    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
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 14 15  2  0  0  0  0
 15 16  1  0  0  0  0
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  3 18  1  0  0  0  0
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  6 20  1  0  0  0  0
  8 21  1  0  0  0  0
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 16 23  1  0  0  0  0
 23 24  1  0  0  0  0
  1 25  1  0  0  0  0
 25 26  1  0  0  0  0
M  STY  1   3 SUP
M  SLB  1   3   3
M  SAL   3  2  25  26
M  SBL   3  1  27
M  SMT   3  OCH3
M  SVB   3 27   -2.4197     0.482
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    1.5693    1.7424
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    0.3617   -0.9854
S  SKP  8
ID	FL5FDDNM0003
KNApSAcK_ID	C00004900
NAME	5,4'-Dihydroxy-3,7,3'-trimethoxy-8-methylflavone
CAS_RN	-
FORMULA	C19H18O7
EXACTMASS	358.10525293
AVERAGEMASS	358.34202000000005
SMILES	c(c1C)(OC)cc(c(C2=O)c(OC(c(c3)cc(OC)c(O)c3)=C2OC)1)O
M  END

</pre>

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