4beta-[(beta-D-glucopyranosyl)hydroxy]-pinoresinol (CHEBI:68132)

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CHEBI:68132 - 4β-[(β-D-glucopyranosyl)hydroxy]-pinoresinol

ChEBI ID	CHEBI:68132
ChEBI Name	4β-[(β-D-glucopyranosyl)hydroxy]-pinoresinol
Stars
ASCII Name	4beta-[(beta-D-glucopyranosyl)hydroxy]-pinoresinol
Definition	A lignan that is pinoresinol attached to a β-D-glucopyranosyloxy group at position 4. It has been isolated from the roost of Scorzonera judaica.
Last Modified	7 April 2017
Downloads	Molfile

Formula	C26H32O12
Net Charge	0
Average Mass	536.530
Monoisotopic Mass	536.18938
SMILES	[H][C@@]1(O[C@H]2O[C@H](c3ccc(O)c(OC)c3)[C@@]3([H])CO[C@@H](c4ccc(O)c(OC)c4)[C@@]23[H])O[C@H](CO)[C@@H](O)[C@H](O)[C@H]1O
InChI	InChI=1S/C26H32O12/c1-33-16-7-11(3-5-14(16)28)23-13-10-35-24(12-4-6-15(29)17(8-12)34-2)19(13)25(37-23)38-26-22(32)21(31)20(30)18(9-27)36-26/h3-8,13,18-32H,9-10H2,1-2H3/t13-,18+,19-,20+,21-,22+,23+,24-,25+,26-/m0/s1
InChIKey	AUBYZINWDYPNHW-WGUDKIRSSA-N

Species of Metabolite	Component	Source	Comments
Scorzonera judaica (ncbitaxon:895824-1)	tuberous root (BTO:0001309)	PubMed (21650157)	Dried powdered roots

Roles Classification

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)
	4β-[(β-D-glucopyranosyl)hydroxy]-pinoresinol (CHEBI:68132) has functional parent pinoresinol (CHEBI:8225)
	4β-[(β-D-glucopyranosyl)hydroxy]-pinoresinol (CHEBI:68132) has role metabolite (CHEBI:25212)
	4β-[(β-D-glucopyranosyl)hydroxy]-pinoresinol (CHEBI:68132) has role plant metabolite (CHEBI:76924)
	4β-[(β-D-glucopyranosyl)hydroxy]-pinoresinol (CHEBI:68132) is a furofuran (CHEBI:47790)
	4β-[(β-D-glucopyranosyl)hydroxy]-pinoresinol (CHEBI:68132) is a guaiacols (CHEBI:134251)
	4β-[(β-D-glucopyranosyl)hydroxy]-pinoresinol (CHEBI:68132) is a lignan (CHEBI:25036)
	4β-[(β-D-glucopyranosyl)hydroxy]-pinoresinol (CHEBI:68132) is a monosaccharide derivative (CHEBI:63367)
	4β-[(β-D-glucopyranosyl)hydroxy]-pinoresinol (CHEBI:68132) is a β-D-glucoside (CHEBI:22798)

IUPAC Name
(1R,3S,3aR,6R,6aS)-3,6-bis(4-hydroxy-3-methoxyphenyl)tetrahydro-1H,3H-furo[3,4-c]furan-1-yl β-D-glucopyranoside

Registry Numbers	Sources
Reaxys:23435551	Reaxys

Citations