kaempferol-3-rutinoside (CHEBI:69657)

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CHEBI:69657 - kaempferol-3-rutinoside

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ChEBI ID	CHEBI:69657
ChEBI Name	kaempferol-3-rutinoside
Stars
Definition	A 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 Modified	27 November 2013
Downloads	Molfile

Formula	C27H30O15
Net Charge	0
Average Mass	594.522
Monoisotopic Mass	594.15847
SMILES	C[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
InChI	InChI=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
InChIKey	RTATXGUCZHCSNG-QHWHWDPRSA-N

Species of Metabolite	Component	Source	Comments
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:	metabolite Any intermediate or product resulting from metabolism. The term 'metabolite' subsumes the classes commonly known as primary and secondary metabolites. plant metabolite Any eukaryotic metabolite produced during a metabolic reaction in plants, the kingdom that include flowering plants, conifers and other gymnosperms.

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
3-((6-O-(6-deoxy-α-L-mannopyranosyl)-β-D-glucopyranosyl)oxy)-5,7-dihydroxy-2-(4-hydroxyphenyl)-4H-1-benzopyran-4-one	ChemIDplus
kaempferol 3-O-(6''-O-α-L-rhamnopyranosyl)-β-D-glucopyranoside	ChEBI
Kaempferol-3-O-β-rutinoside	ChemIDplus
nicotiflorin	ChemIDplus

Registry Numbers	Sources
Reaxys:74581	Reaxys
CAS:17650-84-9	ChemIDplus

Citations