Mol:FL1CHYGS0002

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Copyright: ARM project http://www.metabolome.jp/
 31 33  0  0  0  0  0  0  0  0999 V2000
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   -2.5084    2.0314    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  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 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
 14 15  2  0  0  0  0
 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
  5 19  1  0  0  0  0
  9 20  2  0  0  0  0
 21 22  1  1  0  0  0
 22 23  1  1  0  0  0
 24 23  1  1  0  0  0
 24 25  1  0  0  0  0
 25 26  1  0  0  0  0
 26 21  1  0  0  0  0
 21 27  1  0  0  0  0
 22 28  1  0  0  0  0
 23 29  1  0  0  0  0
 24 18  1  0  0  0  0
 26 30  1  0  0  0  0
 30 31  1  0  0  0  0
M  STY  1   1 SUP
M  SLB  1   1   1
M  SAL   1  2  30  31
M  SBL   1  1  32
M  SMT   1  CH2OH
M  SVB   1 32   -3.1465    1.2615
S  SKP  8
ID	FL1CHYGS0002
KNApSAcK_ID	C00007891
NAME	2',4',6',beta-Tetrahydroxychalcone 4'-glucoside
CAS_RN	50634-04-3
FORMULA	C21H22O10
EXACTMASS	434.121296924
AVERAGEMASS	434.39338
SMILES	[C@@H](O1)(Oc(c2)cc(c(C(CC(=O)c(c3)cccc3)=O)c2O)O)[C@@H](O)[C@@H](O)[C@@H](O)C1CO
M  END

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