Mol:FL63DDNS0002

<pre>

Copyright: ARM project http://www.metabolome.jp/
 24 26  0  0  0  0  0  0  0  0999 V2000
   -1.9550   -0.1447    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.9550   -0.7665    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.4165   -1.0774    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.8780   -0.7665    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.8780   -0.1447    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.4165    0.1663    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.3394   -1.0774    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.1991   -0.7665    0.0000 C   0  0  2  0  0  0  0  0  0  0  0  0
    0.1991   -0.1447    0.0000 C   0  0  2  0  0  0  0  0  0  0  0  0
   -0.3394    0.1663    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    0.7101   -1.0615    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    0.6786    0.1322    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.2233   -0.1823    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.7681    0.1322    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.7681    0.7612    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.2233    1.0757    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.6786    0.7612    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.7681    0.7612    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -1.8618   -1.2328    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -1.1474   -1.6453    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.3122    0.4741    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -2.8121    1.3402    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.4954    1.6453    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    1.9264    2.5476    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  6  0  0  0
  9 12  1  6  0  0  0
 12 13  2  0  0  0  0
 13 14  1  0  0  0  0
 14 15  2  0  0  0  0
 15 16  1  0  0  0  0
 16 17  2  0  0  0  0
 17 12  1  0  0  0  0
 15 18  1  0  0  0  0
  3 19  1  0  0  0  0
 19 20  1  0  0  0  0
  1 21  1  0  0  0  0
 21 22  1  0  0  0  0
 16 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    1.4954    1.6453
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   -2.3122    0.4741
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   -1.8618   -1.2328
S  SKP  8
ID	FL63DDNS0002
KNApSAcK_ID	C00008815
NAME	Epicatechin 5,7,3'-trimethyl ether
CAS_RN	97914-19-7
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(OC)c(O)c1
M  END

</pre>