CHEBI:67413 - (2S,3R,4R)-3a-[(beta-D-glucopyranosyl)oxy]lyoniresinol

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ChEBI Name (2S,3R,4R)-3a-[(beta-D-glucopyranosyl)oxy]lyoniresinol
ChEBI ID CHEBI:67413
Definition A natural product found in Arcangelisia gusanlung.
Stars This entity has been manually annotated by a third party.
Supplier Information
Download Molfile XML SDF
Formula C28H38O13
Net Charge 0
Average Mass 582.59350
Monoisotopic Mass 582.23124
InChI InChI=1S/C28H38O13/c1-36-16-7-13(8-17(37-2)22(16)31)20-15(11-40-28-26(35)25(34)23(32)19(10-30)41-28)14(9-29)5-12-6-18(38-3)24(33)27(39-4)21(12)20/h6-8,14-15,19-20,23,25-26,28-35H,5,9-11H2,1-4H3/t14-,15+,19-,20+,23-,25+,26-,28-/m1/s1
InChIKey PQQRNPDHSJDAGV-OMSDARFTSA-N
SMILES COc1cc(cc(OC)c1O)[C@H]1[C@@H](CO[C@@H]2O[C@H](CO)[C@@H](O)[C@H](O)[C@H]2O)[C@@H](CO)Cc2cc(OC)c(O)c(OC)c12
Metabolite of Species Details
Arcangelisia gusanlung (NCBI:txid432629) Found in stem (BTO:0001300). MeOH extract of air-dried and smashed stems 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.
View more via ChEBI Ontology
ChEBI Ontology
Outgoing (2S,3R,4R)-3a-[(beta-D-glucopyranosyl)oxy]lyoniresinol (CHEBI:67413) has role metabolite (CHEBI:25212)
(2S,3R,4R)-3a-[(beta-D-glucopyranosyl)oxy]lyoniresinol (CHEBI:67413) is a lignan (CHEBI:25036)
Synonym Source
[(1R,2R,3S)-7-Hydroxy-1-(4-hydroxy-3,5-dimethoxyphenyl)-3-(hydroxymethyl)-6,8-dimethoxy-1,2,3,4-tetrahydro-2-naphthalenyl]methyl beta-D-glucopyranoside ChEBI
Citation Waiting for Citations Type Source
21500777 PubMed citation Europe PMC
Last Modified
22 September 2014
General Comment
2014-10-17 Suggested Classification: ISA:hexose(CHEBI:18133); ISA:glycoside(CHEBI:24400); ISA:tetralins(CHEBI:36786); ISA:phenols(CHEBI:33853); ISA:methoxybenzene(CHEBI:51683); ISA:aromatic ether(CHEBI:35618); ISA:oxanes(CHEBI:46942); ISA:secondary alcohol(CHEBI:35681); ISA:polyol(CHEBI:26191); ISA:acetal(CHEBI:59769); ISA:primary alcohol(CHEBI:15734); ISA:aromatic alcohol(CHEBI:33854);