Mol:FL63BANP0001

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FL63BANP0001.png

 
 
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 
    1.0302   -1.0463    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0 
    2.7214    1.3454    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0 
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   -2.0786    1.0608    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
   -2.6178    1.3753    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
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   -1.4526   -0.9628    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0 
   -0.7382   -1.3753    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
  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 
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 14 15  2  0  0  0  0 
 15 16  1  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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