Infectopyrone (CHEBI:204504)

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CHEBI:204504 - Infectopyrone

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ChEBI ID	CHEBI:204504
ChEBI Name	Infectopyrone
Stars
Submitter	MetaboLights
Downloads	Molfile

Formula	C14H16O5
Net Charge	0
Average Mass	264.277
Monoisotopic Mass	264.09977
SMILES	COc1cc(/C(C)=C/C(C)=C/C(=O)O)oc(=O)c1C
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

Species of Metabolite	Component	Source	Comments
Alternaria infectoria (ncbitaxon:45303)	-	DOI (10.1016/s0040-4039(03)01018-9)

Roles Classification

Bronsted acid A molecular entity capable of donating a hydron to an acceptor (Brønsted base).

ChEBI Ontology

Outgoing Relation(s)
	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

Manual Xrefs	Databases
9218801	ChemSpider