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CHEBI:66906 - 2',4,4',6'-tetrahydroxychalcone 4'-O-β-D-glucoside

Default Structure
ChEBI IDCHEBI:66906
ChEBI Name2',4,4',6'-tetrahydroxychalcone 4'-O-β-D-glucoside
Stars
ASCII Name2',4,4',6'-tetrahydroxychalcone 4'-O-beta-D-glucoside
DefinitionA β-D-glucoside in which a β-D-glucopyranosyl residue is attached at position 4' of 2',4,4',6'-tetrahydroxychalcone via a glycosidic linkage.
Last Modified15 May 2024
SubmitterKAX
DownloadsMolfile
FormulaC21H22O10
Net Charge0
Average Mass434.397
Monoisotopic Mass434.12130
SMILESO=C(/C=C/c1ccc(O)cc1)c1c(O)cc(O[C@@H]2O[C@H](CO)[C@@H](O)[C@H](O)[C@H]2O)cc1O
InChIInChI=1S/C21H22O10/c22-9-16-18(27)19(28)20(29)21(31-16)30-12-7-14(25)17(15(26)8-12)13(24)6-3-10-1-4-11(23)5-2-10/h1-8,16,18-23,25-29H,9H2/b6-3+/t16-,18-,19+,20-,21-/m1/s1
InChIKeyZYUSTWOCCKABCY-JSYAWONVSA-N
ChEBI Ontology
Outgoing Relation(s)
2',4,4',6'-tetrahydroxychalcone 4'-O-β-D-glucoside (CHEBI:66906) has functional parent 2',4,4',6'-tetrahydroxychalcone (CHEBI:15413)
2',4,4',6'-tetrahydroxychalcone 4'-O-β-D-glucoside (CHEBI:66906) is a β-D-glucoside (CHEBI:22798)
2',4,4',6'-tetrahydroxychalcone 4'-O-β-D-glucoside (CHEBI:66906) is conjugate acid of 2',4,4',6'-tetrahydroxychalcone 4'-O-β-D-glucoside(1−) (CHEBI:77978)
Incoming Relation(s)
2',4,4',6'-tetrahydroxychalcone 4'-O-β-D-glucoside(1−) (CHEBI:77978) is conjugate base of 2',4,4',6'-tetrahydroxychalcone 4'-O-β-D-glucoside (CHEBI:66906)
IUPAC Name 
3,5-dihydroxy-4-[(2E)-3-(4-hydroxyphenyl)prop-2-enoyl]phenyl β-D-glucopyranoside
Synonyms  Source
Chalconaringenin 4'-glucosideKEGG COMPOUND
naringenin chalcone 4'-O-glucosideMetaCyc
THC 4'-glucosideKEGG COMPOUND
UniProt Name  Source
2',4,4',6'-tetrahydroxychalcone 4'-O-β-D-glucosideUniProt
Manual XrefsDatabases
C16407KEGG COMPOUND
CPD-8632MetaCyc
Registry NumbersSources
Reaxys:65704Reaxys
Citations