Mol:FLIA2AGS0001

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FLIA2AGS0001.png

 
 
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 31 34  0  0  0  0  0  0  0  0999 V2000 
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    3.3068   -0.2432    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0 
   -3.7165    0.2024    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0 
    2.8149   -1.0317    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
    3.5294   -1.4442    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 
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  9  4  1  0  0  0  0 
  2 10  1  0  0  0  0 
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  6 12  2  0  0  0  0 
  7 13  1  0  0  0  0 
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 23 27  1  0  0  0  0 
 19 20  1  0  0  0  0 
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 10 29  1  0  0  0  0 
 22 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   -6.7966    3.1309 
S  SKP  8 
ID	FLIA2AGS0001 
KNApSAcK_ID	C00010084 
NAME	Demethyltexasin 4'-O-glucoside; 6,7,4'-Trihydroxyisoflavone 4'-O-glucoside 
CAS_RN	34307-23-8 
FORMULA	C21H20O10 
EXACTMASS	432.10564686 
AVERAGEMASS	432.37749999999994 
SMILES	c(c1C(C3=O)=COc(c4)c3cc(O)c(O)4)cc(OC(O2)C(O)C(O)C(O)C2CO)cc1 
M  END
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