Mol:FL5FDFNS0001

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Copyright: ARM project http://www.metabolome.jp/
 25 27  0  0  0  0  0  0  0  0999 V2000
   -2.3202   -0.1368    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.3202   -0.7791    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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    1.3115    1.7424    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
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  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
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  1 18  1  0  0  0  0
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  8 24  1  0  0  0  0
 24 25  1  0  0  0  0
M  STY  1   3 SUP
M  SLB  1   3   3
M  SAL   3  2  24  25
M  SBL   3  1  26
M  SMT   3  OCH3
M  SVB   3 26    0.1038   -0.9854
M  STY  1   2 SUP
M  SLB  1   2   2
M  SAL   2  2  22  23
M  SBL   2  1  24
M  SMT   2  OCH3
M  SVB   2 24    1.3115    1.7424
M  STY  1   1 SUP
M  SLB  1   1   1
M  SAL   1  2  20  21
M  SBL   1  1  22
M  SMT   1  OCH3
M  SVB   1 22    2.1618    1.1662
S  SKP  8
ID	FL5FDFNS0001
KNApSAcK_ID	C00004648
NAME	Quercetin 3,3',4'-trimethyl ether;5,7-Dihydroxy-3,3',4'-trimethoxyflavone;2-(3,4-Dimethoxyphenyl)-5,7-dihydroxy-3-methoxy-4H-1-benzopyran-4-one
CAS_RN	14549-84-9
FORMULA	C18H16O7
EXACTMASS	344.089602866
AVERAGEMASS	344.31543999999997
SMILES	c(c21)(O)cc(O)cc(OC(c(c3)cc(OC)c(OC)c3)=C(C2=O)OC)1
M  END

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