Mol:FL4DECNS0001

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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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    2.4819    1.3047    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    1.4245    1.9152    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
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  1  2  2  0  0  0  0
  2  3  1  0  0  0  0
  3  4  2  0  0  0  0
  4  5  1  0  0  0  0
  5  6  2  0  0  0  0
  6  1  1  0  0  0  0
  3  7  1  0  0  0  0
  7  8  1  0  0  0  0
  8  9  1  0  0  0  0
  9 10  1  0  0  0  0
 10  4  1  0  0  0  0
  7 11  2  0  0  0  0
  2 12  1  0  0  0  0
  6 13  1  0  0  0  0
  8 14  1  0  0  0  0
  9 15  1  6  0  0  0
 15 16  2  0  0  0  0
 16 17  1  0  0  0  0
 17 18  2  0  0  0  0
 18 19  1  0  0  0  0
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 19 25  1  0  0  0  0
  1 26  1  0  0  0  0
 26 27  1  0  0  0  0
M  STY  1   1 SUP
M  SLB  1   1   1
M  SAL   1  2  26  27
M  SBL   1  1  28
M  SMT   1  OCH3
M  SVB   1 28   -2.4819    -0.346
S  SKP  8
ID	FL4DECNS0001
KNApSAcK_ID	C00008746
NAME	3,5,7,3',4'-Pentahydroxy-6-methoxyflavanone 3-acetate
CAS_RN	130926-70-4
FORMULA	C18H16O9
EXACTMASS	376.07943210999997
AVERAGEMASS	376.31424
SMILES	c(c3OC)(O)cc(O1)c(c3O)C(C([C@H]1c(c2)cc(O)c(O)c2)OC(C)=O)=O
M  END

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