4-coumaroyltriacetic acid lactone (CHEBI:78023)

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ChEBI Name	4-coumaroyltriacetic acid lactone

ChEBI ID	CHEBI:78023

Definition	A polyketide that is 4-hydroxypyran-2-one carrying an additional 4-(4-hydroxyphenyl)-2-oxobut-3-en-1-yl group at position 6; produced due to derailment from the canonical 2',4,4',6'-tetrahydroxychalcone-producing reaction pathway.

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

Submitter	SBeisken

Secondary ChEBI IDs	CHEBI:29738

Supplier Information

Download	Molfile XML SDF

Formula

C15H12O5

Net Charge

Average Mass

272.25280

Monoisotopic Mass

272.06847

InChI

InChI=1S/C15H12O5/c16-11-4-1-10(2-5-11)3-6-12(17)7-14-8-13(18)9-15(19)20-14/h1-6,8-9,16,18H,7H2/b6-3+

InChIKey

ZUILKEWVWUKSAO-ZZXKWVIFSA-N

SMILES

Oc1ccc(\C=C\C(=O)Cc2cc(O)cc(=O)o2)cc1

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.

ChEBI Ontology
Outgoing	4-coumaroyltriacetic acid lactone (CHEBI:78023) has role plant metabolite (CHEBI:76924) 4-coumaroyltriacetic acid lactone (CHEBI:78023) is a 2-pyranones (CHEBI:75885) 4-coumaroyltriacetic acid lactone (CHEBI:78023) is a enone (CHEBI:51689) 4-coumaroyltriacetic acid lactone (CHEBI:78023) is a phenols (CHEBI:33853) 4-coumaroyltriacetic acid lactone (CHEBI:78023) is a polyketide (CHEBI:26188)

IUPAC Name

4-hydroxy-6-[(3E)-4-(4-hydroxyphenyl)-2-oxobut-3-en-1-yl]-2H-pyran-2-one

Synonym	Source
p-Coumaroyltriacetic acid lactone	KEGG COMPOUND

Registry Number	Type	Source
10561542	Reaxys Registry Number	Reaxys

Last Modified

08 May 2014