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

ChEBI IDCHEBI:68132
ChEBI Name4β-[(β-D-glucopyranosyl)hydroxy]-pinoresinol
Stars
ASCII Name4beta-[(beta-D-glucopyranosyl)hydroxy]-pinoresinol
DefinitionA 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 Modified7 April 2017
DownloadsMolfile
FormulaC26H32O12
Net Charge0
Average Mass536.530
Monoisotopic Mass536.18938
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
InChIInChI=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
InChIKeyAUBYZINWDYPNHW-WGUDKIRSSA-N
Species of MetaboliteComponentSourceComments
Scorzonera judaica (ncbitaxon:895824-1) tuberous root (BTO:0001309) PubMed (21650157) Dried powdered roots
Roles Classification
Biological Roles:
plant metabolite  Any eukaryotic metabolite produced during a metabolic reaction in plants, the kingdom that include flowering plants, conifers and other gymnosperms.
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)
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 NumbersSources
Reaxys:23435551Reaxys
Citations