Mol:FL5FEANSS003

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Copyright: ARM project http://www.metabolome.jp/
 28 30  0  0  0  0  0  0  0  0999 V2000
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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
 10  5  1  0  0  0  0
  7 11  2  0  0  0  0
  9 12  1  0  0  0  0
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 15 16  1  0  0  0  0
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  3 18  1  0  0  0  0
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 21 22  1  0  0  0  0
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  8 21  1  0  0  0  0
  2 25  1  0  0  0  0
 25 26  1  0  0  0  0
  1 27  1  0  0  0  0
 27 28  1  0  0  0  0
M  STY  1   1 SUP
M  SLB  1   1   1
M  SAL   1  2  25  26
M  SBL   1  1  27
M  SMT   1 ^OCH3
M  SBV   1 27   -6.6281    4.8627
M  STY  1   2 SUP
M  SLB  1   2   2
M  SAL   2  2  27  28
M  SBL   2  1  29
M  SMT   2 ^OCH3
M  SBV   2 29   -6.1369    5.0902
S  SKP  8
ID	FL5FEANSS003
KNApSAcK_ID	C00004954
NAME	Eupalitin 3-O-sulfate
CAS_RN	111316-16-6
FORMULA	C17H14O10S
EXACTMASS	410.030767358
AVERAGEMASS	410.35306
SMILES	COc(c3)c(OC)c(O)c(c32)C(=O)C(OS(O)(=O)=O)=C(O2)c(c1)ccc(O)c1
M  END

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