Mol:FLIAA8GS0001

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Copyright: ARM project http://www.metabolome.jp/
 31 34  0  0  0  0  0  0  0  0999 V2000
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   -2.2735    2.1233    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  1  0  0  0  0
  2  3  2  0  0  0  0
  3  4  1  0  0  0  0
  4  5  2  0  0  0  0
  5  6  1  0  0  0  0
  6  7  1  0  0  0  0
  7  8  2  0  0  0  0
  8  9  1  0  0  0  0
  9  4  1  0  0  0  0
  2 10  1  0  0  0  0
 10 11  2  0  0  0  0
 11  5  1  0  0  0  0
  6 12  2  0  0  0  0
  7 13  1  0  0  0  0
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 14 15  1  0  0  0  0
 15 16  2  0  0  0  0
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 17 18  2  0  0  0  0
 18 13  1  0  0  0  0
 19 20  1  1  0  0  0
 20 21  1  1  0  0  0
 22 21  1  1  0  0  0
 22 23  1  0  0  0  0
 23 24  1  0  0  0  0
 24 19  1  0  0  0  0
 19 25  1  0  0  0  0
 20 26  1  0  0  0  0
 21 27  1  0  0  0  0
 22  1  1  0  0  0  0
 18 28  1  0  0  0  0
 11 29  1  0  0  0  0
 24 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  33
M  SMT   1  CH2OH
M  SVB   1 33   -2.9116    1.3534
S  SKP  8
ID	FLIAA8GS0001
KNApSAcK_ID	C00010111
NAME	Isogenistein 7-O-glucoside;5,7,2'-Trihydroxyisoflavone 7-O-glucoside
CAS_RN	70943-69-0
FORMULA	C21H20O10
EXACTMASS	432.10564686
AVERAGEMASS	432.37749999999994
SMILES	c(c1C(C(=O)2)=COc(c3)c2c(cc(O[C@H](O4)[C@@H](O)[C@@H](O)[C@@H](O)C4CO)3)O)cccc1O
M  END

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