narirutin (CHEBI:28705)

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CHEBI:28705 - narirutin

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ChEBI ID	CHEBI:28705
ChEBI Name	narirutin
Stars
Definition	A disaccharide derivative that is (S)-naringenin substituted by a 6-O-(6-deoxy-α-L-mannopyranosyl)-β-D-glucopyranosyl moiety at position 7 via a glycosidic linkage.
Secondary ChEBI IDs	CHEBI:7486, CHEBI:25489
Last Modified	9 April 2018
Downloads	Molfile

Formula	C27H32O14
Net Charge	0
Average Mass	580.539
Monoisotopic Mass	580.17921
SMILES	C[C@@H]1O[C@@H](OC[C@H]2O[C@@H](Oc3cc(O)c4c(c3)O[C@H](c3ccc(O)cc3)CC4=O)[C@H](O)[C@@H](O)[C@@H]2O)[C@H](O)[C@H](O)[C@H]1O
InChI	InChI=1S/C27H32O14/c1-10-20(31)22(33)24(35)26(38-10)37-9-18-21(32)23(34)25(36)27(41-18)39-13-6-14(29)19-15(30)8-16(40-17(19)7-13)11-2-4-12(28)5-3-11/h2-7,10,16,18,20-29,31-36H,8-9H2,1H3/t10-,16-,18+,20-,21+,22+,23-,24+,25+,26+,27+/m0/s1
InChIKey	HXTFHSYLYXVTHC-AJHDJQPGSA-N

Roles Classification

Chemical Role:	antioxidant A substance that opposes oxidation or inhibits reactions brought about by dioxygen or peroxides.
Biological Role:	metabolite Any intermediate or product resulting from metabolism. The term 'metabolite' subsumes the classes commonly known as primary and secondary metabolites.
Application:	anti-inflammatory agent Any compound that has anti-inflammatory effects.

ChEBI Ontology

Outgoing Relation(s)
	narirutin (CHEBI:28705) has functional parent (S)-naringenin (CHEBI:17846)
	narirutin (CHEBI:28705) has role anti-inflammatory agent (CHEBI:67079)
	narirutin (CHEBI:28705) has role antioxidant (CHEBI:22586)
	narirutin (CHEBI:28705) has role metabolite (CHEBI:25212)
	narirutin (CHEBI:28705) is a (2S)-flavan-4-one (CHEBI:140377)
	narirutin (CHEBI:28705) is a 4'-hydroxyflavanones (CHEBI:140331)
	narirutin (CHEBI:28705) is a dihydroxyflavanone (CHEBI:38749)
	narirutin (CHEBI:28705) is a disaccharide derivative (CHEBI:63353)
	narirutin (CHEBI:28705) is a rutinoside (CHEBI:26587)

IUPAC Name
(2S)-5-hydroxy-2-(4-hydroxyphenyl)-4-oxo-3,4-dihydro-2H-chromen-7-yl 6-O-(6-deoxy-α-L-mannopyranosyl)-β-D-glucopyranoside

Synonyms	Source
Narirutin	KEGG COMPOUND
Naringenin 7-O-rutinoside	KEGG COMPOUND
Isonaringenin	ChemIDplus
Isonaringin	ChemIDplus

Manual Xrefs	Databases
C09793	KEGG COMPOUND
CPD-7059	MetaCyc
HMDB0033740	HMDB
LMPK12140236	LIPID MAPS
C00000984	KNApSAcK

Registry Numbers	Sources
Reaxys:1361182	Reaxys
CAS:14259-46-2	KEGG COMPOUND
CAS:14259-46-2	ChemIDplus

Citations