Mol:FL63DCNS0001

<pre>

Copyright: ARM project http://www.metabolome.jp/
 24 27  0  0  0  0  0  0  0  0999 V2000
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   -2.1669   -0.4817    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.6283   -0.7926    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.0898   -0.4817    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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   -1.6283    0.4511    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.5513   -0.7926    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.0128   -0.4817    0.0000 C   0  0  2  0  0  0  0  0  0  0  0  0
   -0.0128    0.1401    0.0000 C   0  0  2  0  0  0  0  0  0  0  0  0
   -0.5513    0.4511    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    0.4982   -0.7767    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    0.4668    0.4170    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.0115    0.1025    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.5562    0.4170    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.5562    1.0460    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.0115    1.3605    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.4668    1.0460    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.1544    0.2226    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    2.5241    0.7315    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.1544    1.2404    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -2.5241    0.7589    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -3.0240    1.6250    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.0737   -0.9480    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -1.3592   -1.3605    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
 14 18  1  0  0  0  0
 18 19  1  0  0  0  0
 19 20  1  0  0  0  0
 20 15  1  0  0  0  0
  1 21  1  0  0  0  0
 21 22  1  0  0  0  0
  3 23  1  0  0  0  0
 23 24  1  0  0  0  0
M  STY  1   2 SUP
M  SLB  1   2   2
M  SAL   2  2  23  24
M  SBL   2  1  26
M  SMT   2  OCH3
M  SVB   2 26   -2.0737    -0.948
M  STY  1   1 SUP
M  SLB  1   1   1
M  SAL   1  2  21  22
M  SBL   1  1  24
M  SMT   1  OCH3
M  SVB   1 24   -2.5241    0.7589
S  SKP  8
ID	FL63DCNS0001
KNApSAcK_ID	C00008829
NAME	3',4'-Methylenedioxy epicatechin 5,7-dimethyl ether
CAS_RN	87562-72-9
FORMULA	C18H18O6
EXACTMASS	330.110338308
AVERAGEMASS	330.33191999999997
SMILES	c(c41)(OCO4)ccc([C@@H](O2)[C@H](O)Cc(c(OC)3)c2cc(OC)c3)c1
M  END

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