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(Q110204615)
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English
6-[5,7-Dihydroxy-2-(4-hydroxyphenyl)-6-methoxy-4-oxochromen-3-yl]oxy-3,4,5-trihydroxyoxane-2-carboxylic acid
group of stereoisomers with the chemical formula C₂₂H₂₀O₁₃
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Statements
instance of
group of stereoisomers
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subclass of
chemical compound
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mass
492.0903907
dalton
1 reference
based on heuristic
inferred from SMILES
chemical formula
C₂₂H₂₀O₁₃
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canonical SMILES
O=C(O)C1OC(OC=2C(=O)C3=C(O)C(OC)=C(O)C=C3OC2C=4C=CC(O)=CC4)C(O)C(O)C1O
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found in taxon
Arnica montana
1 reference
stated in
Flavonoid Glucuronides from the Flowers of Arnica montana1
Identifiers
InChI
InChI=1S/C22H20O13/c1-32-18-9(24)6-10-11(12(18)25)13(26)19(17(33-10)7-2-4-8(23)5-3-7)34-22-16(29)14(27)15(28)20(35-22)21(30)31/h2-6,14-16,20,22-25,27-29H,1H3,(H,30,31)
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InChIKey
SADAYGMLZASKCJ-UHFFFAOYSA-N
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PubChem CID
74978452
1 reference
stated in
PubChem
retrieved
17 September 2022
based on heuristic
inferred from InChIKey
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