CHEBI:58333 - isoorientin(1−)

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ChEBI Name isoorientin(1−)
ChEBI ID CHEBI:58333
ChEBI ASCII Name isoorientin(1-)
Definition A flavonoid oxoanion that is the conjugate base of isoorientin, arising from selective deprotonation of the 7-hydroxy group; major species at pH 7.3.
Stars This entity has been manually annotated by the ChEBI Team.
Supplier Information
Download Molfile XML SDF
Formula C21H19O11
Net Charge -1
Average Mass 447.36900
Monoisotopic Mass 447.09329
InChI InChI=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
InChIKey ODBRNZZJSYPIDI-VJXVFPJBSA-M
SMILES OC[C@H]1O[C@H]([C@H](O)[C@@H](O)[C@@H]1O)c1c([O-])cc2oc(cc(=O)c2c1O)-c1ccc(O)c(O)c1
ChEBI Ontology
Outgoing isoorientin(1−) (CHEBI:58333) is a flavonoid oxoanion (CHEBI:60038)
isoorientin(1−) (CHEBI:58333) is conjugate base of isoorientin (CHEBI:17965)
Incoming 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 Sources
isoorientin UniProt
isoorientin 7-olate ChEBI
isoorientin anion ChEBI
Last Modified
13 November 2017