Mol:FL63AENS0001

<pre>

Copyright: ARM project http://www.metabolome.jp/
 22 24  0  0  0  0  0  0  0  0999 V2000
   -2.2217   -0.1472    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.2217   -0.7691    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.6832   -1.0800    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.1447   -0.7691    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.1447   -0.1472    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.6832    0.1637    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.6062   -1.0800    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.0676   -0.7691    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.0676   -0.1472    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.6062    0.1637    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -2.7600    0.1635    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -1.6832   -1.7015    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    0.4433   -1.0641    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    0.4119    0.1296    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.9566   -0.1849    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.5013    0.1296    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.5013    0.7586    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.9566    1.0731    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.4119    0.7586    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.9566    1.7015    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    2.0455    1.0728    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    2.7600    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
  1 11  1  0  0  0  0
  3 12  1  0  0  0  0
  8 13  1  1  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
 18 20  1  0  0  0  0
 17 21  1  0  0  0  0
 21 22  1  0  0  0  0
M  STY  1   1 SUP
M  SLB  1   1   1
M  SAL   1  2  21  22
M  SBL   1  1  23
M  SMT   1 OCH3
M  SBV   1 23   -5.1178    4.3745
S  SKP  8
ID	FL63AENS0001
KNApSAcK_ID	C00008810
NAME	Catechin 4'-methyl ether
CAS_RN	69912-75-0
FORMULA	C16H16O6
EXACTMASS	304.094688244
AVERAGEMASS	304.29463999999996
SMILES	COc(c3)c(O)cc(c3)C(O1)C(O)Cc(c(O)2)c(cc(O)c2)1
M  END

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