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CHEBI:58333 - isoorientin(1−)

ChEBI IDCHEBI:58333
ChEBI Nameisoorientin(1−)
Stars
ASCII Nameisoorientin(1-)
DefinitionA flavonoid oxoanion that is the conjugate base of isoorientin, arising from selective deprotonation of the 7-hydroxy group; major species at pH 7.3.
Last Modified13 November 2017
DownloadsMolfile
FormulaC21H19O11
Net Charge-1
Average Mass447.372
Monoisotopic Mass447.09329
SMILESO=c1cc(-c2ccc(O)c(O)c2)oc2cc([O-])c([C@@H]3O[C@H](CO)[C@@H](O)[C@H](O)[C@H]3O)c(O)c12
InChIInChI=1S/C21H20O11/c22-6-14-17(27)19(29)20(30)21(32-14)16-11(26)5-13-15(18(16)28)10(25)4-12(31-13)7-1-2-8(23)9(24)3-7/h1-5,14,17,19-24,26-30H,6H2/p-1/t14-,17-,19+,20-,21+/m1/s1
InChIKeyODBRNZZJSYPIDI-VJXVFPJBSA-M
ChEBI Ontology
Outgoing Relation(s)
isoorientin(1−) (CHEBI:58333) is a flavonoid oxoanion (CHEBI:60038)
isoorientin(1−) (CHEBI:58333) is conjugate base of isoorientin (CHEBI:17965)
Incoming Relation(s)
isoorientin (CHEBI:17965) is conjugate acid of isoorientin(1−) (CHEBI:58333)
IUPAC Name 
(1S)-1,5-anhydro-1-[2-(3,4-dihydroxyphenyl)-5-hydroxy-7-oxido-4-oxo-4H-chromen-6-yl]-D-glucitol
Synonyms  Source
isoorientin anionChEBI
isoorientin 7-olateChEBI
UniProt Name  Source
isoorientinUniProt