threo-1-(4-hydroxy-3-methoxyphenyl)-2-{4-[-(E)-3-hydroxy-1-propenyl]-2-methoxyphenoxy}-1,3-propanediol (CHEBI:68347)

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ChEBI Name	threo-1-(4-hydroxy-3-methoxyphenyl)-2-{4-[-(E)-3-hydroxy-1-propenyl]-2-methoxyphenoxy}-1,3-propanediol

ChEBI ID	CHEBI:68347

ChEBI ASCII Name	threo-1-(4-hydroxy-3-methoxyphenyl)-2-{4-[-(E)-3-hydroxy-1-propenyl]-2-methoxyphenoxy}-1,3-propanediol

Definition	A member of the class of propane-1,3-diols that is propane-1,3-diol substituted at position 1 by a 4-hydroxy-3-methoxyphenyl and at position 2 by a 4-[(1E)-3-hydroxyprop-1-en-1-yl]-2-methoxyphenoxy group (the 1R,2R stereoisomer). It is isolated from the whole plant of Lepisorus contortus.

Stars	This entity has been manually annotated by the ChEBI Team.

Supplier Information

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Formula

C20H24O7

Net Charge

Average Mass

376.40040

Monoisotopic Mass

376.15220

InChI

InChI=1S/C20H24O7/c1-25-17-11-14(6-7-15(17)23)20(24)19(12-22)27-16-8-5-13(4-3-9-21)10-18(16)26-2/h3-8,10-11,19-24H,9,12H2,1-2H3/b4-3+/t19-,20-/m1/s1

InChIKey

FYEZJIXULOZDRT-FMEUAVTJSA-N

SMILES

COc1cc(ccc1O)[C@@H](O)[C@@H](CO)Oc1ccc(\C=C\CO)cc1OC

Metabolite of Species	Details
Lepisorus contortus (NCBI:txid699669)	Found in whole plant (BTO:0001461). 95% EtOH extract of air-dried, powdered whole plant 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. (via threo-1-(4-hydroxy-3-methoxyphenyl)-2-{4-[-(E)-3-hydroxy-1-propenyl]-2-methoxyphenoxy}-1,3-propanediol ) mouse metabolite Any mammalian metabolite produced during a metabolic reaction in a mouse (Mus musculus). (via guaiacyl lignin )

ChEBI Ontology
Outgoing	threo-1-(4-hydroxy-3-methoxyphenyl)-2-{4-[-(E)-3-hydroxy-1-propenyl]-2-methoxyphenoxy}-1,3-propanediol (CHEBI:68347) has functional parent glycerol (CHEBI:17754) threo-1-(4-hydroxy-3-methoxyphenyl)-2-{4-[-(E)-3-hydroxy-1-propenyl]-2-methoxyphenoxy}-1,3-propanediol (CHEBI:68347) has role metabolite (CHEBI:25212) threo-1-(4-hydroxy-3-methoxyphenyl)-2-{4-[-(E)-3-hydroxy-1-propenyl]-2-methoxyphenoxy}-1,3-propanediol (CHEBI:68347) is a guaiacols (CHEBI:134251) threo-1-(4-hydroxy-3-methoxyphenyl)-2-{4-[-(E)-3-hydroxy-1-propenyl]-2-methoxyphenoxy}-1,3-propanediol (CHEBI:68347) is a guaiacyl lignin (CHEBI:64475) threo-1-(4-hydroxy-3-methoxyphenyl)-2-{4-[-(E)-3-hydroxy-1-propenyl]-2-methoxyphenoxy}-1,3-propanediol (CHEBI:68347) is a phenylpropanoid (CHEBI:26004) threo-1-(4-hydroxy-3-methoxyphenyl)-2-{4-[-(E)-3-hydroxy-1-propenyl]-2-methoxyphenoxy}-1,3-propanediol (CHEBI:68347) is a propane-1,3-diols (CHEBI:26287)

IUPAC Name

(1R,2R)-1-(4-hydroxy-3-methoxyphenyl)-2-{4-[(1E)-3-hydroxyprop-1-en-1-yl]-2-methoxyphenoxy}propane-1,3-diol

Synonym	Source
Guaiacylglycerol-beta-coniferyl ether	ChemIDplus

Last Modified

07 April 2017