Mol:FL1CHYGS0001

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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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   -3.5136    0.1589    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
 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
 24 25  1  0  0  0  0
 25 20  1  0  0  0  0
 20 26  1  0  0  0  0
 21 27  1  0  0  0  0
 22 28  1  0  0  0  0
 23 17  1  0  0  0  0
  9 29  2  0  0  0  0
 25 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   -2.5278   -0.0088
S  SKP  8
ID	FL1CHYGS0001
KNApSAcK_ID	C00007890
NAME	2',4',6',beta-Tetrahydroxychalcone 2'-glucoside
CAS_RN	73519-15-0
FORMULA	C21H22O10
EXACTMASS	434.121296924
AVERAGEMASS	434.39338
SMILES	[C@@H]([C@@H]1Oc(c3)c(c(cc(O)3)O)C(CC(=O)c(c2)cccc2)=O)(O)[C@@H](O)[C@@H](O)C(O1)CO
M  END

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