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CHEBI:147403 - prunetin-5-olate

ChEBI IDCHEBI:147403
ChEBI Nameprunetin-5-olate
Stars
DefinitionA flavonoid oxoanion obtained by deprotonation of the 5-hydroxy group of prunetin. It is the major microspecies at pH 7.3
Last Modified19 May 2020
SubmitterKristian Axelsen
DownloadsMolfile
FormulaC16H11O5
Net Charge-1
Average Mass283.259
Monoisotopic Mass283.06120
SMILESCOc1cc([O-])c2c(=O)c(-c3ccc(O)cc3)coc2c1
InChIInChI=1S/C16H12O5/c1-20-11-6-13(18)15-14(7-11)21-8-12(16(15)19)9-2-4-10(17)5-3-9/h2-8,17-18H,1H3/p-1
InChIKeyKQMVAGISDHMXJJ-UHFFFAOYSA-M
ChEBI Ontology
Outgoing Relation(s)
prunetin-5-olate (CHEBI:147403) is a flavonoid oxoanion (CHEBI:60038)
prunetin-5-olate (CHEBI:147403) is conjugate base of prunetin (CHEBI:8600)
Incoming Relation(s)
prunetin (CHEBI:8600) is conjugate acid of prunetin-5-olate (CHEBI:147403)
IUPAC Name 
3-(4-hydroxyphenyl)-7-methoxy-4-oxo-4H-chromen-5-olate
Synonym  Source
3-(4-hydroxyphenyl)-7-methoxy-4-oxo-4H-1-benzopyran-5-olateIUPAC
UniProt Name  Source
prunetinUniProt
Citations