(+)-(8R,8'R)-3',4,4'-trihydroxy-3-methoxylignan (CHEBI:68171)

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ChEBI Name	(+)-(8R,8'R)-3',4,4'-trihydroxy-3-methoxylignan

ChEBI ID	CHEBI:68171

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

C19H24O4

Net Charge

Average Mass

316.39150

Monoisotopic Mass

316.16746

InChI

InChI=1S/C19H24O4/c1-12(8-14-4-6-16(20)18(22)10-14)13(2)9-15-5-7-17(21)19(11-15)23-3/h4-7,10-13,20-22H,8-9H2,1-3H3/t12-,13-/m1/s1

InChIKey

QKHJBWUGXMKHAK-CHWSQXEVSA-N

SMILES

COc1cc(C[C@@H](C)[C@H](C)Cc2ccc(O)c(O)c2)ccc1O

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.

ChEBI Ontology
Outgoing	(+)-(8R,8'R)-3',4,4'-trihydroxy-3-methoxylignan (CHEBI:68171) has role metabolite (CHEBI:25212) (+)-(8R,8'R)-3',4,4'-trihydroxy-3-methoxylignan (CHEBI:68171) is a lignan (CHEBI:25036)

Synonym	Source
4-[(2R,3R)-4-(4-Hydroxy-3-methoxyphenyl)-2,3-dimethylbutyl]-1,2-benzenediol	ChEBI

Citation	Type	Source
21627109	PubMed citation	Europe PMC

Last Modified

22 September 2014

General Comment
2014-10-17	Suggested Classification: ISA:phenols(CHEBI:33853); ISA:methoxybenzene(CHEBI:51683); ISA:alkylbenzene(CHEBI:38976); ISA:catechols(CHEBI:33566); ISA:aromatic ether(CHEBI:35618); ISA:polyol(CHEBI:26191); ISA:organic heterocyclic compound(CHEBI:24532); ISA:aromatic alcohol(CHEBI:33854);