Mol:FLIACAGS0002

<pre>

Copyright: ARM project http://www.metabolome.jp/
 32 35  0  0  0  0  0  0  0  0999 V2000
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   -3.3010    0.1431    0.0000 O   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  1  0  0  0  0
  6  7  2  0  0  0  0
  7  8  1  0  0  0  0
  8  3  1  0  0  0  0
  1  9  1  0  0  0  0
  9 10  2  0  0  0  0
 10  4  1  0  0  0  0
  5 11  2  0  0  0  0
  6 12  1  0  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
 15 18  1  0  0  0  0
 10 19  1  0  0  0  0
 20 21  1  1  0  0  0
 21 22  1  1  0  0  0
 23 22  1  1  0  0  0
 23 24  1  0  0  0  0
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 25 20  1  0  0  0  0
 20 26  1  0  0  0  0
 21 27  1  0  0  0  0
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 23 19  1  0  0  0  0
  1 29  1  0  0  0  0
 29 30  1  0  0  0  0
 25 31  1  0  0  0  0
 31 32  1  0  0  0  0
M  STY  1   2 SUP
M  SLB  1   2   2
M  SAL   2  2  31  32
M  SBL   2  1  34
M  SMT   2  CH2OH
M  SVB   2 34   -2.2572   -0.1573
M  STY  1   1 SUP
M  SLB  1   1   1
M  SAL   1  2  29  30
M  SBL   1  1  32
M  SMT   1  OCH3
M  SVB   1 32   -1.4944    1.7255
S  SKP  8
ID	FLIACAGS0002
KNApSAcK_ID	C00010167
NAME	Prunetin 5-O-glucoside;Prunetinoside
CAS_RN	89595-66-4
FORMULA	C22H22O10
EXACTMASS	446.121296924
AVERAGEMASS	446.40408
SMILES	[C@@H](Oc(c32)cc(OC)cc(OC=C(c(c4)ccc(c4)O)C3=O)2)([C@@H](O)1)OC(CO)[C@@H]([C@@H]1O)O
M  END

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