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CHEBI:58192 - quercitrin-7-olate

ChEBI IDCHEBI:58192
ChEBI Namequercitrin-7-olate
Stars
DefinitionConjugate base of quercitrin arising from selective deprotonation of the 7-hydroxy group; major species at pH 7.3.
Last Modified22 January 2016
DownloadsMolfile
FormulaC21H19O11
Net Charge-1
Average Mass447.372
Monoisotopic Mass447.09329
SMILESC[C@@H]1O[C@@H](Oc2c(-c3ccc(O)c(O)c3)oc3cc([O-])cc(O)c3c2=O)[C@H](O)[C@H](O)[C@H]1O
InChIInChI=1S/C21H20O11/c1-7-15(26)17(28)18(29)21(30-7)32-20-16(27)14-12(25)5-9(22)6-13(14)31-19(20)8-2-3-10(23)11(24)4-8/h2-7,15,17-18,21-26,28-29H,1H3/p-1/t7-,15-,17+,18+,21-/m0/s1
InChIKeyOXGUCUVFOIWWQJ-HQBVPOQASA-M
ChEBI Ontology
Outgoing Relation(s)
quercitrin-7-olate (CHEBI:58192) is a flavonoid oxoanion (CHEBI:60038)
quercitrin-7-olate (CHEBI:58192) is conjugate base of quercitrin (CHEBI:17558)
Incoming Relation(s)
quercitrin (CHEBI:17558) is conjugate acid of quercitrin-7-olate (CHEBI:58192)
IUPAC Name 
3-[(α-L-rhamnopyranosyl)oxy]-2-(3,4-dihydroxyphenyl)-5-hydroxy-4-oxo-4H-chromen-7-olate
Synonyms  Source
quercitrin-7-olate anionChEBI
quercitrin-7-olate(1−)ChEBI
3-[(6-deoxy-α-L-mannopyranosyl)oxy]-2-(3,4-dihydroxyphenyl)-5-hydroxy-4-oxo-4H-chromen-7-olateIUPAC
UniProt Name  Source
quercitrinUniProt
Manual XrefsDatabases
QUERCITRINMetaCyc