Mol:FLIAAAGS0001

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FLIAAAGS0001.png

 
 
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 31 34  0  0  0  0  0  0  0  0999 V2000 
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   -3.2988    0.9521    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  1  2  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 
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  1 11  1  0  0  0  0 
  7 12  2  0  0  0  0 
  8 13  1  0  0  0  0 
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  3 20  1  0  0  0  0 
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 24 23  1  1  0  0  0 
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 26 21  1  0  0  0  0 
 24 11  1  0  0  0  0 
 23 27  1  0  0  0  0 
 21 28  1  0  0  0  0 
 22 29  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  33 
M  SMT   1 ^CH2OH 
M  SBV   1 33   -6.0313    4.3892 
S  SKP  8 
ID	FLIAAAGS0001 
KNApSAcK_ID	C00002528 
NAME	Genistein 7-O-glucoside;Genistin;Genistoside 
CAS_RN	529-59-9 
FORMULA	C21H20O10 
EXACTMASS	432.10564686 
AVERAGEMASS	432.37749999999994 
SMILES	Oc(c1)ccc(C(C(=O)2)=COc(c3)c2c(cc(OC(O4)C(O)C(O)C(O)C4CO)3)O)c1 
M  END
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