Mol:FL63BBNS0001

<pre>

Copyright: ARM project http://www.metabolome.jp/
 22 24  0  0  0  0  0  0  0  0999 V2000
   -2.2217    0.1401    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.2217   -0.4817    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.6832   -0.7926    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.1447   -0.4817    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.1447    0.1401    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.6832    0.4511    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.6062   -0.7926    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.0676   -0.4817    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.0676    0.1401    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.6062    0.4511    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -2.7600    0.4509    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    0.4433   -0.7767    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    0.4119    0.4170    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.9566    0.1025    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.5013    0.4170    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.5013    1.0460    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.9566    1.3605    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.4119    1.0460    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.1286   -0.9480    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -1.4141   -1.3605    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.0455    1.3602    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    2.7600    0.9477    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
  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
  3 19  1  0  0  0  0
 19 20  1  0  0  0  0
 16 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  19  20
M  SBL   1  1  21
M  SMT   1 OCH3
M  SBV   1 21   -6.1074    4.1923
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  SBV   2 23   -5.1178    4.6618
S  SKP  8
ID	FL63BBNS0001
KNApSAcK_ID	C00008807
NAME	Afzelechin 5,4'-dimethyl ether
CAS_RN	67970-23-4
FORMULA	C17H18O5
EXACTMASS	302.115423686
AVERAGEMASS	302.32182
SMILES	COc(c3)ccc(c3)C(O1)C(O)Cc(c(OC)2)c(cc(O)c2)1
M  END

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