CHEBI:77621 - 2',3,4,4',6'-pentahydroxychalcone(1−)

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ChEBI Name 2',3,4,4',6'-pentahydroxychalcone(1−)
ChEBI ID CHEBI:77621
ChEBI ASCII Name 2',3,4,4',6'-pentahydroxychalcone(1-)
Definition A phenolate anion that is the conjugate base of 2',3,4,4',6'-pentahydroxychalcone, obtained by selective deprotonation of the phenolic hydroxy group at position 2'; major species at pH 7.3.
Stars This entity has been manually annotated by the ChEBI Team.
Submitter Anne Morgat
Supplier Information
Download Molfile XML SDF
Formula C15H11O6
Net Charge -1
Average Mass 287.24480
Monoisotopic Mass 287.05611
InChI InChI=1S/C15H12O6/c16-9-6-13(20)15(14(21)7-9)11(18)4-2-8-1-3-10(17)12(19)5-8/h1-7,16-17,19-21H/p-1
InChIKey CRBYNQCDRNZCNX-UHFFFAOYSA-M
SMILES Oc1cc(O)c(C(=O)C=Cc2ccc(O)c(O)c2)c([O-])c1
ChEBI Ontology
Outgoing 2',3,4,4',6'-pentahydroxychalcone(1−) (CHEBI:77621) is a phenolate anion (CHEBI:50525)
2',3,4,4',6'-pentahydroxychalcone(1−) (CHEBI:77621) is conjugate base of 2',3,4,4',6'-pentahydroxychalcone (CHEBI:10836)
Incoming 2',3,4,4',6'-pentahydroxychalcone (CHEBI:10836) is conjugate acid of 2',3,4,4',6'-pentahydroxychalcone(1−) (CHEBI:77621)
IUPAC Name
2-[3-(3,4-dihydroxyphenyl)prop-2-enoyl]-3,5-dihydroxyphenolate
Synonym Source
2',3,4,4',6'-pentahydroxychalcone UniProt
Last Modified
17 April 2014