(+)-guaiacin (CHEBI:68173)

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ChEBI Name	(+)-guaiacin

ChEBI ID	CHEBI:68173

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

C20H24O4

Net Charge

Average Mass

328.40220

Monoisotopic Mass

328.16746

InChI

InChI=1S/C20H24O4/c1-11-7-14-9-19(24-4)17(22)10-15(14)20(12(11)2)13-5-6-16(21)18(8-13)23-3/h5-6,8-12,20-22H,7H2,1-4H3/t11-,12+,20+/m1/s1

InChIKey

TZAAYUCUPIYQBR-JGRMJRGVSA-N

SMILES

COc1cc(ccc1O)[C@@H]1[C@@H](C)[C@H](C)Cc2cc(OC)c(O)cc12

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	(+)-guaiacin (CHEBI:68173) has role metabolite (CHEBI:25212) (+)-guaiacin (CHEBI:68173) is a lignan (CHEBI:25036)

Synonym	Source
(6R,7S,8S)-8-(4-Hydroxy-3-methoxyphenyl)-3-methoxy-6,7-dimethyl-5,6,7,8-tetrahydro-2-naphthalenol	ChEBI

Citation	Type	Source
21627109	PubMed citation	Europe PMC

Last Modified

22 September 2014

General Comment
2014-10-17	Suggested Classification: ISA:tetralins(CHEBI:36786); ISA:phenols(CHEBI:33853); ISA:methoxybenzene(CHEBI:51683); ISA:aromatic ether(CHEBI:35618); ISA:polyol(CHEBI:26191); ISA:organic heterocyclic compound(CHEBI:24532); ISA:aromatic alcohol(CHEBI:33854);