Mol:FL64DBNS0001

<pre>

Copyright: ARM project http://www.metabolome.jp/
 23 25  0  0  0  0  0  0  0  0999 V2000
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   -0.7507    0.4725    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
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  1  2  1  0  0  0  0
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  3  4  1  0  0  0  0
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  6  1  2  0  0  0  0
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  7  8  1  0  0  0  0
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  1 20  1  0  0  0  0
 20 21  1  0  0  0  0
  3 22  1  0  0  0  0
 22 23  1  0  0  0  0
M  STY  1   3 SUP
M  SLB  1   3   3
M  SAL   3  2  22  23
M  SBL   3  1  24
M  SMT   3  OCH3
M  SVB   3 24   -2.2998   -0.9728
M  STY  1   2 SUP
M  SLB  1   2   2
M  SAL   2  2  20  21
M  SBL   2  1  22
M  SMT   2  OCH3
M  SVB   2 22   -2.7769      0.77
M  STY  1   1 SUP
M  SLB  1   1   1
M  SAL   1  2  18  19
M  SBL   1  1  20
M  SMT   1  OCH3
M  SVB   1 20    2.0624    1.4543
S  SKP  8
ID	FL64DBNS0001
KNApSAcK_ID	C00008976
NAME	4-Hydroxy-5,7,4'-trimethoxyflavan
CAS_RN	5188-72-7
FORMULA	C18H20O5
EXACTMASS	316.13107375
AVERAGEMASS	316.3484
SMILES	c(C(C3)Oc(c(C(O)3)2)cc(OC)cc2OC)(c1)ccc(OC)c1
M  END

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