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CHEBI:28603 - (+)-syringaresinol β-D-glucoside

ChEBI IDCHEBI:28603
ChEBI Name(+)-syringaresinol β-D-glucoside
Stars
ASCII Name(+)-syringaresinol beta-D-glucoside
Secondary ChEBI IDsCHEBI:48, CHEBI:18456
Last Modified28 July 2014
DownloadsMolfile
FormulaC28H36O13
Net Charge0
Average Mass580.583
Monoisotopic Mass580.21559
SMILES[H][C@]12CO[C@H](c3cc(OC)c(O[C@@H]4O[C@H](CO)[C@@H](O)[C@H](O)[C@H]4O)c(OC)c3)[C@@]1([H])CO[C@@H]2c1cc(OC)c(O)c(OC)c1
InChIInChI=1S/C28H36O13/c1-34-16-5-12(6-17(35-2)21(16)30)25-14-10-39-26(15(14)11-38-25)13-7-18(36-3)27(19(8-13)37-4)41-28-24(33)23(32)22(31)20(9-29)40-28/h5-8,14-15,20,22-26,28-33H,9-11H2,1-4H3/t14-,15-,20+,22+,23-,24+,25+,26+,28-/m0/s1
InChIKeyWEKCEGQSIIQPAQ-IRBNZIFYSA-N
Species of MetaboliteComponentSourceComments
Acer saccharum (ncbitaxon:4024) bark (BTO:0001301) PubMed (22032697) The air-dried powder of the bark was extracted by maceration with methanol
Roles Classification
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)
(+)-syringaresinol β-D-glucoside (CHEBI:28603) has functional parent (+)-syringaresinol (CHEBI:47)
(+)-syringaresinol β-D-glucoside (CHEBI:28603) has role metabolite (CHEBI:25212)
(+)-syringaresinol β-D-glucoside (CHEBI:28603) is a β-D-glucoside (CHEBI:22798)
IUPAC Name 
(7α,7'α,8α,8'α)-4'-(β-D-glucopyranosyloxy)-3,3',5,5'-tetramethoxy-7,9':7',9-diepoxylignan-4-ol
Synonyms  Source
(+)-Syringaresinol O-beta-D-glucosideKEGG COMPOUND
Acanthoside BKEGG COMPOUND
Manual XrefsDatabases
C10890KEGG COMPOUND
C00002632KNApSAcK
Registry NumbersSources
CAS:7374-79-0KEGG COMPOUND