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CHEBI:77978 - 2',4,4',6'-tetrahydroxychalcone 4'-O-β-D-glucoside(1−)

Default Structure
ChEBI IDCHEBI:77978
ChEBI Name2',4,4',6'-tetrahydroxychalcone 4'-O-β-D-glucoside(1−)
Stars
ASCII Name2',4,4',6'-tetrahydroxychalcone 4'-O-beta-D-glucoside(1-)
DefinitionA phenolate anion obtained by deprotonation of one of the two ortho-hydroxy groups of 2',4,4',6'-tetrahydroxychalcone 4'-O-β-D-glucoside. It is the major microspecies at pH 7.3 (according to Marvin v 6.2.0.).
Last Modified16 May 2024
SubmitterKAX
DownloadsMolfile
FormulaC21H21O10
Net Charge-1
Average Mass433.389
Monoisotopic Mass433.11402
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/p-1/b6-3+/t16-,18-,19+,20-,21-/m1/s1
InChIKeyZYUSTWOCCKABCY-JSYAWONVSA-M
ChEBI Ontology
Outgoing Relation(s)
2',4,4',6'-tetrahydroxychalcone 4'-O-β-D-glucoside(1−) (CHEBI:77978) is a phenolate anion (CHEBI:50525)
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)
Incoming Relation(s)
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)
IUPAC Name 
5-(β-Dglucopyranosyloxy)-3-hydroxy-2-[(2E)-3-(4-hydroxyphenyl)prop-2-enoyl]phenolate