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

ChEBI ID	CHEBI:68347
ChEBI Name	threo-1-(4-hydroxy-3-methoxyphenyl)-2-{4-[-(E)-3-hydroxy-1-propenyl]-2-methoxyphenoxy}-1,3-propanediol
Stars
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.
Last Modified	7 April 2017
Downloads	Molfile

Formula	C20H24O7
Net Charge	0
Average Mass	376.405
Monoisotopic Mass	376.15220
SMILES	COc1cc([C@@H](O)[C@@H](CO)Oc2ccc(/C=C/CO)cc2OC)ccc1O
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

Species of Metabolite	Component	Source	Comments
Lepisorus contortus (ncbitaxon:699669)	whole plant (BTO:0001461)	PubMed (21261296)	95% EtOH extract of air-dried, powdered whole plant

Roles Classification

Biological Roles:

metabolite Any intermediate or product resulting from metabolism. The term 'metabolite' subsumes the classes commonly known as primary and secondary metabolites.

mouse metabolite Any mammalian metabolite produced during a metabolic reaction in a mouse (Mus musculus).

ChEBI Ontology

Outgoing Relation(s)
	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

Registry Numbers	Sources
Reaxys:7002722	Reaxys
CAS:1103-58-8	ChemIDplus

Citations