Mol:FL1CAGGS0001

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Copyright: ARM project http://www.metabolome.jp/
 33 35  0  0  0  0  0  0  0  0999 V2000
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  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  2  0  0  0  0
  9 10  1  0  0  0  0
 10 11  2  0  0  0  0
 11 12  1  0  0  0  0
 12 13  2  0  0  0  0
 13 14  1  0  0  0  0
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 15 10  1  0  0  0  0
  7 16  2  0  0  0  0
  3 17  1  0  0  0  0
  1 18  1  0  0  0  0
 13 19  1  0  0  0  0
 12 20  1  0  0  0  0
  5 21  1  0  0  0  0
 22 23  1  1  0  0  0
 23 24  1  1  0  0  0
 25 24  1  1  0  0  0
 25 26  1  0  0  0  0
 26 27  1  0  0  0  0
 27 22  1  0  0  0  0
 22 28  1  0  0  0  0
 23 29  1  0  0  0  0
 24 30  1  0  0  0  0
 25 17  1  0  0  0  0
 14 31  1  0  0  0  0
 27 32  1  0  0  0  0
 32 33  1  0  0  0  0
M  STY  1   1 SUP
M  SLB  1   1   1
M  SAL   1  2  32  33
M  SBL   1  1  34
M  SMT   1  CH2OH
M  SVB   1 34   -2.6231   -0.4664
S  SKP  8
ID	FL1CAGGS0001
KNApSAcK_ID	C00007918
NAME	3,4,5,2',4',6'-Hexahydroxychalcone 2'-glucoside
CAS_RN	20126-64-1
FORMULA	C21H22O12
EXACTMASS	466.111126168
AVERAGEMASS	466.39218
SMILES	[C@@H]([C@@H]1Oc(c2)c(C(=O)C=Cc(c3)cc(O)c(O)c3O)c(cc(O)2)O)(O)[C@@H](O)[C@@H](O)C(O1)CO
M  END

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