2-(3,4-dihydroxyphenyl)-ethyl-O-beta-D-glucopyranoside (CHEBI:65791)

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CHEBI:65791 - 2-(3,4-dihydroxyphenyl)-ethyl-O-β-D-glucopyranoside

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ChEBI ID	CHEBI:65791
ChEBI Name	2-(3,4-dihydroxyphenyl)-ethyl-O-β-D-glucopyranoside
Stars
ASCII Name	2-(3,4-dihydroxyphenyl)-ethyl-O-beta-D-glucopyranoside
Definition	A β-D-glucoside having hydroxytyrosol as the anomeric substituent. Isolated from Zantedeschia aethiopica and Picrorhiza scrophulariiflora, it exhibits antioxidant activity.
Last Modified	11 January 2013
Downloads	Molfile

Formula	C14H20O8
Net Charge	0
Average Mass	316.306
Monoisotopic Mass	316.11582
SMILES	OC[C@H]1O[C@@H](OCCc2ccc(O)c(O)c2)[C@H](O)[C@@H](O)[C@@H]1O
InChI	InChI=1S/C14H20O8/c15-6-10-11(18)12(19)13(20)14(22-10)21-4-3-7-1-2-8(16)9(17)5-7/h1-2,5,10-20H,3-4,6H2/t10-,11-,12+,13-,14-/m1/s1
InChIKey	PQQITYGQJLPDFC-RKQHYHRCSA-N

Species of Metabolite	Component	Source	Comments
Picrorhiza scrophulariiflora (ncbitaxon:470706)	root (BTO:0001188)	PubMed (15706916)
Zantedeschia aethiopica (ncbitaxon:69721)	-	DOI (10.1016/S0031-9422(98)00092-2)
Lepisorus contortus (ncbitaxon:699669)	whole plant (BTO:0001461)	PubMed (21261296)	95% EtOH extract of air-dried, powdered whole plant

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.

ChEBI Ontology

Outgoing Relation(s)
	2-(3,4-dihydroxyphenyl)-ethyl-O-β-D-glucopyranoside (CHEBI:65791) has functional parent hydroxytyrosol (CHEBI:68889)
	2-(3,4-dihydroxyphenyl)-ethyl-O-β-D-glucopyranoside (CHEBI:65791) has role antioxidant (CHEBI:22586)
	2-(3,4-dihydroxyphenyl)-ethyl-O-β-D-glucopyranoside (CHEBI:65791) has role metabolite (CHEBI:25212)
	2-(3,4-dihydroxyphenyl)-ethyl-O-β-D-glucopyranoside (CHEBI:65791) is a catechols (CHEBI:33566)
	2-(3,4-dihydroxyphenyl)-ethyl-O-β-D-glucopyranoside (CHEBI:65791) is a β-D-glucoside (CHEBI:22798)

IUPAC Name
2-(3,4-dihydroxyphenyl)ethyl β-D-glucopyranoside

Synonyms	Source
dopaol β-D-glucoside	ChEBI
hydroxytyrosol glucoside	ChEBI

Registry Numbers	Sources
Reaxys:5876669	Reaxys

Citations