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

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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
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Formula C19H16O7
Net Charge 0
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:txidtxid3702) Found in root (BTO:0001188). See: PubMed
Arabidopsis thaliana (NCBI:txidtxid3702) 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 )
View more via ChEBI Ontology
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 organic heterotricyclic compound (CHEBI:26979)
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)
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 Waiting for Citations Type Source
25457500 PubMed citation Europe PMC
Last Modified
07 April 2017