Mol:FL5FDDNS0001

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Copyright: ARM project http://www.metabolome.jp/
 24 26  0  0  0  0  0  0  0  0999 V2000
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    1.9523    0.1843    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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    1.6687    1.7424    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    2.1101    2.6397    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.1282   -1.2791    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
  9 12  1  0  0  0  0
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  1 18  1  0  0  0  0
  3 19  1  0  0  0  0
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 16 21  1  0  0  0  0
 21 22  1  0  0  0  0
  8 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    0.4611   -0.9854
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    1.6687    1.7424
S  SKP  8
ID	FL5FDDNS0001
KNApSAcK_ID	C00004639
NAME	Quercetin 3,3'-dimethyl ether;5,7,4'-Trihydroxy-3,3'-dimethoxyflavone;5,7-Dihydroxy-2-(4-hydroxy-3-methoxyphenyl)-3-methoxy-4H-1-benzopyran-4-one
CAS_RN	4382-17-6
FORMULA	C17H14O7
EXACTMASS	330.073952802
AVERAGEMASS	330.28886
SMILES	COc(c(O)3)cc(cc3)C(O1)=C(OC)C(=O)c(c(O)2)c(cc(O)c2)1
M  END

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