Mol:FL63DENS0001

<pre>

Copyright: ARM project http://www.metabolome.jp/
 24 26  0  0  0  0  0  0  0  0999 V2000
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   -2.3122   -0.7959    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.7737   -1.1068    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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   -0.1581   -0.1740    0.0000 C   0  0  2  0  0  0  0  0  0  0  0  0
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    0.3528   -1.0909    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    0.3214    0.1028    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.8661   -0.2117    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.4108    0.1028    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.4108    0.7318    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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   -3.1696    1.3107    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.9550    1.0460    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    2.6695    0.6335    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
  8 11  1  1  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
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 16 18  1  0  0  0  0
  3 19  1  0  0  0  0
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  1 21  1  0  0  0  0
 21 22  1  0  0  0  0
 15 23  1  0  0  0  0
 23 24  1  0  0  0  0
M  STY  1   3 SUP
M  SLB  1   3   3
M  SAL   3  2  23  24
M  SBL   3  1  25
M  SMT   3  OCH3
M  SVB   3 25     1.955     1.046
M  STY  1   2 SUP
M  SLB  1   2   2
M  SAL   2  2  21  22
M  SBL   2  1  23
M  SMT   2  OCH3
M  SVB   2 23   -2.6695    0.4447
M  STY  1   1 SUP
M  SLB  1   1   1
M  SAL   1  2  19  20
M  SBL   1  1  21
M  SMT   1  OCH3
M  SVB   1 21   -2.2191   -1.2622
S  SKP  8
ID	FL63DENS0001
KNApSAcK_ID	C00008816
NAME	Catechin 5,7,4'-trimethyl ether
CAS_RN	105330-59-4
FORMULA	C18H20O6
EXACTMASS	332.125988372
AVERAGEMASS	332.3478
SMILES	O(c23)[C@@H]([C@@H](O)Cc(c(OC)cc(OC)c3)2)c(c1)cc(O)c(OC)c1
M  END

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