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CHEBI:69657 - kaempferol-3-rutinoside

ChEBI IDCHEBI:69657
ChEBI Namekaempferol-3-rutinoside
Stars
DefinitionA kaempferol O-glucoside that is kaempferol attached to a rutinosyl [6-deoxy-α-L-mannosyl-(1→6)-β-D-glucosyl] residue at position 3 via a glycosidic linkage. It has been isolated from the leaves of Solanum campaniforme.
Last Modified27 November 2013
DownloadsMolfile
FormulaC27H30O15
Net Charge0
Average Mass594.522
Monoisotopic Mass594.15847
SMILESC[C@@H]1O[C@@H](OC[C@H]2O[C@@H](Oc3c(-c4ccc(O)cc4)oc4cc(O)cc(O)c4c3=O)[C@H](O)[C@@H](O)[C@@H]2O)[C@H](O)[C@H](O)[C@H]1O
InChIInChI=1S/C27H30O15/c1-9-17(31)20(34)22(36)26(39-9)38-8-15-18(32)21(35)23(37)27(41-15)42-25-19(33)16-13(30)6-12(29)7-14(16)40-24(25)10-2-4-11(28)5-3-10/h2-7,9,15,17-18,20-23,26-32,34-37H,8H2,1H3/t9-,15+,17-,18+,20+,21-,22+,23+,26+,27-/m0/s1
InChIKeyRTATXGUCZHCSNG-QHWHWDPRSA-N
Species of MetaboliteComponentSourceComments
Solanum campaniforme (IPNI:818569-1) leaf (BTO:0000713) PubMed (21962208) Dried leaves were extracted with ethyl alcohol.
Roles Classification
Chemical Role:
radical scavenger  A role played by a substance that can react readily with, and thereby eliminate, radicals.
Biological Roles:
plant metabolite  Any eukaryotic metabolite produced during a metabolic reaction in plants, the kingdom that include flowering plants, conifers and other gymnosperms.
metabolite  Any intermediate or product resulting from metabolism. The term 'metabolite' subsumes the classes commonly known as primary and secondary metabolites.
ChEBI Ontology
Outgoing Relation(s)
kaempferol-3-rutinoside (CHEBI:69657) has role metabolite (CHEBI:25212)
kaempferol-3-rutinoside (CHEBI:69657) has role plant metabolite (CHEBI:76924)
kaempferol-3-rutinoside (CHEBI:69657) has role radical scavenger (CHEBI:48578)
kaempferol-3-rutinoside (CHEBI:69657) is a disaccharide derivative (CHEBI:63353)
kaempferol-3-rutinoside (CHEBI:69657) is a kaempferol O-glucoside (CHEBI:64634)
kaempferol-3-rutinoside (CHEBI:69657) is a rutinoside (CHEBI:26587)
kaempferol-3-rutinoside (CHEBI:69657) is a trihydroxyflavone (CHEBI:27116)
IUPAC Name 
5,7-dihydroxy-2-(4-hydroxyphenyl)-4-oxo-4H-chromen-3-yl 6-O-(6-deoxy-α-L-mannopyranosyl)-β-D-glucopyranoside
Synonyms  Source
nicotiflorinChemIDplus
kaempferol 3-O-(6''-O-α-L-rhamnopyranosyl)-β-D-glucopyranosideChEBI
3-((6-O-(6-deoxy-α-L-mannopyranosyl)-β-D-glucopyranosyl)oxy)-5,7-dihydroxy-2-(4-hydroxyphenyl)-4H-1-benzopyran-4-oneChemIDplus
Kaempferol-3-O-β-rutinosideChemIDplus
Registry NumbersSources
Reaxys:74581Reaxys
CAS:17650-84-9ChemIDplus
Citations