Mol:FL1CACGS0002

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Copyright: ARM project http://www.metabolome.jp/
 32 34  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 18  1  0  0  0  0
 27 31  1  0  0  0  0
 31 32  1  0  0  0  0
M  STY  1   1 SUP
M  SLB  1   1   1
M  SAL   1  2  31  32
M  SBL   1  1  33
M  SMT   1 ^CH2OH
M  SBV   1 33   -5.3459    3.5984
S  SKP  8
ID	FL1CACGS0002
KNApSAcK_ID	C00007915
NAME	3,4,2',4',6'-Pentahydroxychalcone 4'-glucoside
CAS_RN	123537-97-3
FORMULA	C21H22O11
EXACTMASS	450.116211546
AVERAGEMASS	450.39278
SMILES	c(c(O)1)(O)ccc(C=CC(c(c3O)c(cc(c3)OC(O2)C(O)C(O)C(O)C2CO)O)=O)c1
M  END

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