2-(4-hydroxy-3-methoxyphenyl)-3-(hydroxymethyl)-2,3-dihydro-7H-pyrano[2,3-g][1,4]benzodioxin-7-one (CHEBI:91203)

ChEBI > Main

Main

ChEBI Ontology

Automatic Xrefs

Reactions

Pathways

Models

ChEBI Name	2-(4-hydroxy-3-methoxyphenyl)-3-(hydroxymethyl)-2,3-dihydro-7H-pyrano[2,3-g][1,4]benzodioxin-7-one

ChEBI ID	CHEBI:91203

ChEBI ASCII Name	2-(4-hydroxy-3-methoxyphenyl)-3-(hydroxymethyl)-2,3-dihydro-7H-pyrano[2,3-g][1,4]benzodioxin-7-one

Definition	A guaiacyl lignin obtained by formal cyclocodensation between guaiacylglycerol and esculetin. It is found in Arabidopsis thaliana.

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

Supplier Information

Download	Molfile XML SDF

Formula

C19H16O7

Net Charge

Average Mass

356.327

Monoisotopic Mass

356.08960

InChI

InChI=1S/C19H16O7/c1-23-14-7-11(2-4-12(14)21)19-17(9-20)24-16-8-13-10(6-15(16)26-19)3-5-18(22)25-13/h2-8,17,19-21H,9H2,1H3

InChIKey

YMXPBFBMXWPRNM-UHFFFAOYSA-N

SMILES

C=1C=2C=C3C(=CC2OC(C1)=O)OC(C(O3)C4=CC(=C(C=C4)O)OC)CO

Metabolite of Species	Details
Arabidopsis thaliana (NCBI:txid3702)	Found in root (BTO:0001188). See: PubMed
Arabidopsis thaliana (NCBI:txid3702)	Found in root (BTO:0001188). See: MetaboLights Study

Roles Classification
Biological Role(s):	plant metabolite Any eukaryotic metabolite produced during a metabolic reaction in plants, the kingdom that include flowering plants, conifers and other gymnosperms. mouse metabolite Any mammalian metabolite produced during a metabolic reaction in a mouse (Mus musculus). (via guaiacyl lignin )

ChEBI Ontology
Outgoing	2-(4-hydroxy-3-methoxyphenyl)-3-(hydroxymethyl)-2,3-dihydro-7H-pyrano[2,3-g][1,4]benzodioxin-7-one (CHEBI:91203) has functional parent esculetin (CHEBI:490095) 2-(4-hydroxy-3-methoxyphenyl)-3-(hydroxymethyl)-2,3-dihydro-7H-pyrano[2,3-g][1,4]benzodioxin-7-one (CHEBI:91203) has functional parent guaiacylglycerol (CHEBI:53663) 2-(4-hydroxy-3-methoxyphenyl)-3-(hydroxymethyl)-2,3-dihydro-7H-pyrano[2,3-g][1,4]benzodioxin-7-one (CHEBI:91203) has role plant metabolite (CHEBI:76924) 2-(4-hydroxy-3-methoxyphenyl)-3-(hydroxymethyl)-2,3-dihydro-7H-pyrano[2,3-g][1,4]benzodioxin-7-one (CHEBI:91203) is a coumarins (CHEBI:23403) 2-(4-hydroxy-3-methoxyphenyl)-3-(hydroxymethyl)-2,3-dihydro-7H-pyrano[2,3-g][1,4]benzodioxin-7-one (CHEBI:91203) is a guaiacols (CHEBI:134251) 2-(4-hydroxy-3-methoxyphenyl)-3-(hydroxymethyl)-2,3-dihydro-7H-pyrano[2,3-g][1,4]benzodioxin-7-one (CHEBI:91203) is a guaiacyl lignin (CHEBI:64475) 2-(4-hydroxy-3-methoxyphenyl)-3-(hydroxymethyl)-2,3-dihydro-7H-pyrano[2,3-g][1,4]benzodioxin-7-one (CHEBI:91203) is a primary alcohol (CHEBI:15734) 2-(4-hydroxy-3-methoxyphenyl)-3-(hydroxymethyl)-2,3-dihydro-7H-pyrano[2,3-g][1,4]benzodioxin-7-one (CHEBI:91203) is a pyranobenzodioxin (CHEBI:146295)

IUPAC Name

2-(4-hydroxy-3-methoxyphenyl)-3-(hydroxymethyl)-2,3-dihydro-7H-pyrano[2,3-g][1,4]benzodioxin-7-one

Synonym	Source
G(8-O-4)Esculetin	ChEBI

Registry Number	Type	Source
28063974	Reaxys Registry Number	Reaxys

Citation	Type	Source
25457500	PubMed citation	Europe PMC

Last Modified

10 March 2020