Mol:FL63AFNS0001

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FL63AFNS0001.png

<pre>

Copyright: ARM project http://www.metabolome.jp/
 23 25  0  0  0  0  0  0  0  0999 V2000
   -2.2217   -0.1178    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.2217   -0.7397    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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   -0.0676   -0.1178    0.0000 C   0  0  2  0  0  0  0  0  0  0  0  0
   -0.6062    0.1931    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -2.7600    0.1929    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -1.6832   -1.6721    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    0.4433   -1.0347    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    0.4119    0.1590    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.9566   -0.1555    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.5013    0.1590    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.5013    0.7880    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.9566    1.1025    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.4119    0.7880    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.5013    0.7880    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    3.5013    0.7880    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.2287    1.6721    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    1.6597    2.5744    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
  3 12  1  0  0  0  0
  8 13  1  6  0  0  0
  9 14  1  6  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 18  1  0  0  0  0
 18 19  2  0  0  0  0
 19 14  1  0  0  0  0
 17 20  1  0  0  0  0
 20 21  1  0  0  0  0
 18 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    1.2287    1.6721
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    2.0455    1.1022
S  SKP  8
ID	FL63AFNS0001
KNApSAcK_ID	C00008813
NAME	Epicatechin 3',4'-dimethyl ether
CAS_RN	97914-17-5
FORMULA	C17H18O6
EXACTMASS	318.110338308
AVERAGEMASS	318.32122
SMILES	COc(c3)c(OC)cc(c3)[C@@H](O1)[C@H](O)Cc(c(O)2)c(cc(O)c2)1
M  END

</pre>

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