CHEBI:68176 - (-)-(7S,7'S,8R,8'R)-4,4'-dihydroxy-3,3',5,5'-tetramethoxy-7,7'-epoxylignan-9,9'-diol

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ChEBI Name (-)-(7S,7'S,8R,8'R)-4,4'-dihydroxy-3,3',5,5'-tetramethoxy-7,7'-epoxylignan-9,9'-diol
ChEBI ID CHEBI:68176
Definition A natural product found in Machilus robusta.
Stars This entity has been manually annotated by a third party.
Supplier Information
Download Molfile XML SDF
Formula C22H28O9
Net Charge 0
Average Mass 436.45230
Monoisotopic Mass 436.17333
InChI InChI=1S/C22H28O9/c1-27-15-5-11(6-16(28-2)19(15)25)21-13(9-23)14(10-24)22(31-21)12-7-17(29-3)20(26)18(8-12)30-4/h5-8,13-14,21-26H,9-10H2,1-4H3/t13-,14-,21+,22+/m0/s1
InChIKey WKDDUPJDCWIWAP-HCIHMXRSSA-N
SMILES COc1cc(cc(OC)c1O)[C@H]1O[C@@H]([C@@H](CO)[C@@H]1CO)c1cc(OC)c(O)c(OC)c1
Metabolite of Species Details
Machilus robusta (NCBI:txid460780) Found in bark (BTO:0001301). 95%aqueous EtOH extract of air-dried bark 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 (-)-(7S,7'S,8R,8'R)-4,4'-dihydroxy-3,3',5,5'-tetramethoxy-7,7'-epoxylignan-9,9'-diol (CHEBI:68176) has role metabolite (CHEBI:25212)
(-)-(7S,7'S,8R,8'R)-4,4'-dihydroxy-3,3',5,5'-tetramethoxy-7,7'-epoxylignan-9,9'-diol (CHEBI:68176) is a lignan (CHEBI:25036)
Synonyms Sources
4-[(2S,3R,4R,5S)-5-(4-hydroxy-3,5-dimethoxyphenyl)-3,4-bis(hydroxymethyl)oxolan-2-yl]-2,6-dimethoxyphenol ChEBI
huazhongilexin ChEBI
Citation Waiting for Citations Type Source
21627109 PubMed citation Europe PMC
Last Modified
22 September 2014
General Comment
2014-10-17 Suggested Classification: ISA:lignan(CHEBI:25036); ISA:phenols(CHEBI:33853); ISA:methoxybenzene(CHEBI:51683); ISA:aromatic ether(CHEBI:35618); ISA:oxolanes(CHEBI:26912); ISA:polyol(CHEBI:26191); ISA:ether(CHEBI:25698); ISA:aromatic alcohol(CHEBI:33854); ISA:primary alcohol(CHEBI:15734);