Mol:FL63CENS0001

<pre>

Copyright: ARM project http://www.metabolome.jp/
 23 25  0  0  0  0  0  0  0  0999 V2000
   -2.3122   -0.1472    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.3122   -0.7691    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.7737   -1.0800    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.2352   -0.7691    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.2352   -0.1472    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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   -0.6967   -1.0800    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.1581   -0.7691    0.0000 C   0  0  1  0  0  0  0  0  0  0  0  0
   -0.1581   -0.1472    0.0000 C   0  0  2  0  0  0  0  0  0  0  0  0
   -0.6967    0.1637    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -1.7737   -1.7015    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    0.3528   -1.0641    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    0.3214    0.1296    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.8661   -0.1849    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.4108    0.1296    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.4108    0.7586    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.8661    1.0731    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.3214    0.7586    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.8661    1.7015    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -2.6695    0.4715    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -3.1696    1.3375    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.9550    1.0728    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    2.6695    0.6603    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
  3 11  1  0  0  0  0
  8 12  1  1  0  0  0
  9 13  1  6  0  0  0
 13 14  2  0  0  0  0
 14 15  1  0  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 13  1  0  0  0  0
 17 19  1  0  0  0  0
  1 20  1  0  0  0  0
 20 21  1  0  0  0  0
 16 22  1  0  0  0  0
 22 23  1  0  0  0  0
M  STY  1   2 SUP
M  SLB  1   2   2
M  SAL   2  2  22  23
M  SBL   2  1  24
M  SMT   2  OCH3
M  SVB   2 24     1.955    1.0728
M  STY  1   1 SUP
M  SLB  1   1   1
M  SAL   1  2  20  21
M  SBL   1  1  22
M  SMT   1  OCH3
M  SVB   1 22   -2.6695    0.4715
S  SKP  8
ID	FL63CENS0001
KNApSAcK_ID	C00008812
NAME	Catechin 7,4'-dimethyl ether
CAS_RN	105330-66-3
FORMULA	C17H18O6
EXACTMASS	318.110338308
AVERAGEMASS	318.32122
SMILES	COc(c1)cc(O2)c(C[C@H](O)[C@H]2c(c3)cc(O)c(OC)c3)c(O)1
M  END

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