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(Q105299551)
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English
2'-hydroxygenistein-7-O-glucoside (stereoasp.)
group of stereoisomers with the chemical formula C₂₁H₂₀O₁₁
3-(2,4-dihydroxyphenyl)-5-hydroxy-7-{[3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy}chromen-4-one
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Statements
instance of
group of stereoisomers
0 references
subclass of
isoflavone
1 reference
inferred from
isoflavone
mass
448.3777
dalton
1 reference
based on heuristic
inferred from SMILES
chemical formula
C₂₁H₂₀O₁₁
0 references
canonical SMILES
O=C1C(=COC2=CC(OC3OC(CO)C(O)C(O)C3O)=CC(O)=C12)C=4C=CC(O)=CC4O
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Identifiers
InChI
InChI=1S/C21H20O11/c22-6-15-18(27)19(28)20(29)21(32-15)31-9-4-13(25)16-14(5-9)30-7-11(17(16)26)10-2-1-8(23)3-12(10)24/h1-5,7,15,18-25,27-29H,6H2
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InChIKey
VYYHGKQKCBDQKO-UHFFFAOYSA-N
0 references
PubChem CID
155908451
1 reference
based on heuristic
inferred from InChIKey
UniChem compound ID
187338031
1 reference
stated in
UniChem
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