Mol:FL5FCBNSS001

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Copyright: ARM project http://www.metabolome.jp/
 27 29  0  0  0  0  0  0  0  0999 V2000
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   -2.7685    0.7990    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
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    2.0541    1.4543    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
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  7 11  2  0  0  0  0
  9 12  1  0  0  0  0
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  8 18  1  0  0  0  0
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  1 24  1  0  0  0  0
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 26 27  1  0  0  0  0
M  STY  1   2 SUP
M  SLB  1   2   2
M  SAL   2  2  26  27
M  SBL   2  1  28
M  SMT   2  OCH3
M  SVB   2 28    2.0541    1.4543
M  STY  1   1 SUP
M  SLB  1   1   1
M  SAL   1  2  24  25
M  SBL   1  1  26
M  SMT   1  OCH3
M  SVB   1 26   -2.7685     0.799
S  SKP  8
ID	FL5FCBNSS001
KNApSAcK_ID	C00004951
NAME	Kaempferol 7,4'-dimethyl ether 3-O-sulfate
CAS_RN	58942-18-0
FORMULA	C17H14O9S
EXACTMASS	394.03585273600004
AVERAGEMASS	394.35366
SMILES	COc(c3)ccc(c3)C(O1)=C(OS(O)(=O)=O)C(=O)c(c(O)2)c(cc(OC)c2)1
M  END

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