Mol:FL5FALNS0008

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Copyright: ARM project http://www.metabolome.jp/
 25 27  0  0  0  0  0  0  0  0999 V2000
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    0.4611    1.6001    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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 14 15  2  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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  8 22  1  0  0  0  0
 22 23  1  0  0  0  0
 17 24  1  0  0  0  0
 24 25  1  0  0  0  0
M  STY  1   2 SUP
M  SLB  1   2   2
M  SAL   2  2  24  25
M  SBL   2  1  26
M  SMT   2  OCH3
M  SVB   2 26    0.4611    1.6001
M  STY  1   1 SUP
M  SLB  1   1   1
M  SAL   1  2  22  23
M  SBL   1  1  24
M  SMT   1  OCH3
M  SVB   1 24    0.4611    -0.843
S  SKP  8
ID	FL5FALNS0008
KNApSAcK_ID	C00004749
NAME	5,7,4',5'-Tetrahydroxy-3,2'-dimethoxyflavone
CAS_RN	113744-08-4
FORMULA	C17H14O8
EXACTMASS	346.068867424
AVERAGEMASS	346.28826
SMILES	COc(c3)c(cc(O)c(O)3)C(O1)=C(OC)C(=O)c(c(O)2)c(cc(O)c2)1
M  END

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