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

Main ChEBI Ontology Automatic Xrefs Reactions Pathways Models
ChEBI Name 4β-[(β-D-glucopyranosyl)hydroxy]-pinoresinol
ChEBI ID CHEBI:68132
ChEBI 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.
Stars This entity has been manually annotated by the ChEBI Team.
Supplier Information
Download Molfile XML SDF
Formula C26H32O12
Net Charge 0
Average Mass 536.52510
Monoisotopic Mass 536.18938
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
SMILES COc1cc(ccc1O)[C@H]1O[C@H](O[C@@H]2O[C@H](CO)[C@@H](O)[C@H](O)[C@H]2O)[C@H]2[C@@H]1CO[C@H]2c1ccc(O)c(OC)c1
Metabolite of Species Details
Scorzonera judaica (NCBI:txid895824-1) Found in tuberous root (BTO:0001309). Dried powdered roots See: PubMed
Roles Classification
Biological Role(s): 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.
View more via ChEBI Ontology
ChEBI Ontology
Outgoing 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 β-D-glucoside (CHEBI:22798)
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)
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 Number Type Source
23435551 Reaxys Registry Number Reaxys
Citation Waiting for Citations Type Source
21650157 PubMed citation Europe PMC
Last Modified
07 April 2017