Infectopyrone (CHEBI:204504)

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This entity has been annotated by a third party. If you would like more information added to this entry, please contact ChEBI via email or GitHub.

ChEBI Name	Infectopyrone

ChEBI ID	CHEBI:204504

Stars	This entity has been manually annotated by a third party.

Submitter	MetaboLights

Supplier Information

Download	Molfile XML SDF

Formula

C14H16O5

Net Charge

Average Mass

264.277

Monoisotopic Mass

264.09977

InChI

InChI=1S/C14H16O5/c1-8(6-13(15)16)5-9(2)11-7-12(18-4)10(3)14(17)19-11/h5-7H,1-4H3,(H,15,16)/b8-6+,9-5+

InChIKey

PKDNRNGILXMLIA-RFSWUZDDSA-N

SMILES

O=C1OC(/C(=C/C(=C/C(=O)O)/C)/C)=CC(=C1C)OC

Metabolite of Species	Details
Alternaria infectoria (NCBI:txid45303)	See: DOI

Roles Classification
Chemical Role(s):	Bronsted acid A molecular entity capable of donating a hydron to an acceptor (Bronsted base). (via oxoacid )

ChEBI Ontology
Outgoing	Infectopyrone (CHEBI:204504) is a medium-chain fatty acid (CHEBI:59554)

IUPAC Name

(2E,4E)-5-(4-methoxy-5-methyl-6-oxopyran-2-yl)-3-methylhexa-2,4-dienoic acid