Mol:FL63BANP0001

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Copyright: ARM project http://www.metabolome.jp/
 26 29  0  0  0  0  0  0  0  0999 V2000
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    2.1773    1.0312    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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    1.0878    1.0312    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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    2.7214    1.3454    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
  4  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  5  1  0  0  0  0
  1 11  1  0  0  0  0
  9 12  1  6  0  0  0
 12 13  2  0  0  0  0
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 14 15  2  0  0  0  0
 15 16  1  0  0  0  0
 16 17  2  0  0  0  0
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  8 18  1  1  0  0  0
 15 19  1  0  0  0  0
  6 20  1  0  0  0  0
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 22 23  1  0  0  0  0
 22 24  1  0  0  0  0
  3 25  1  0  0  0  0
 25 26  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  28
M  SMT   1 OCH3
M  SBV   1 28   -6.7720    5.7037
S  SKP  8
ID	FL63BANP0001
KNApSAcK_ID	C00008908
NAME	7,8-(2,2-Dimethylpyrano)-3,4'-dihydroxy-5-methoxyflavan
CAS_RN	-
FORMULA	C21H22O5
EXACTMASS	354.146723814
AVERAGEMASS	354.39638
SMILES	COc(c3)c(c2c(C=4)c(OC(C4)(C)C)3)CC(C(O2)c(c1)ccc(O)c1)O
M  END

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