Mol:FL5FBENS0001

<pre>

Copyright: ARM project http://www.metabolome.jp/
 24 26  0  0  0  0  0  0  0  0999 V2000
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   -2.3202   -0.8529    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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    2.1618    1.0925    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    2.8763    0.6800    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.2003   -1.3346    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -1.4859   -1.7471    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
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  8 18  1  0  0  0  0
  1 19  1  0  0  0  0
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 15 21  1  0  0  0  0
 21 22  1  0  0  0  0
  3 23  1  0  0  0  0
 23 24  1  0  0  0  0
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  SBV   1 23   -6.3693    3.6436
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  SBV   2 25   -7.3725    3.1558
S  SKP  8
ID	FL5FBENS0001
KNApSAcK_ID	C00004604
NAME	Quercetin 5,4'-dimethyl ether
CAS_RN	100648-56-4
FORMULA	C17H14O7
EXACTMASS	330.073952802
AVERAGEMASS	330.28886
SMILES	COc(c3)c(O)cc(c3)C(O1)=C(O)C(=O)c(c(OC)2)c(cc(O)c2)1
M  END

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