2,3-didehydrotelfairic anhydride [1′E,3′E)-2-(4-carboxyhexa-1,3-dienyl)-3 methylmaleic anhydride (CHEBI:204112)

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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	2,3-didehydrotelfairic anhydride [1′E,3′E)-2-(4-carboxyhexa-1,3-dienyl)-3 methylmaleic anhydride

ChEBI ID	CHEBI:204112

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

Submitter	MetaboLights

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Download	Molfile XML SDF

Formula

C12H12O5

Net Charge

Average Mass

236.223

Monoisotopic Mass

236.06847

InChI

InChI=1S/C12H12O5/c1-3-8(10(13)14)5-4-6-9-7(2)11(15)17-12(9)16/h4-6H,3H2,1-2H3,(H,13,14)/b6-4+,8-5+

InChIKey

CEZITUXGGUVZCK-HLQBBKRNSA-N

SMILES

O=C1OC(=O)C(=C1/C=C/C=C(/C(=O)O)\CC)C

Metabolite of Species	Details
Xylaria telfairii (NCBI:txid477509)	See: DOI

ChEBI Ontology
Outgoing	2,3-didehydrotelfairic anhydride [1′E,3′E)-2-(4-carboxyhexa-1,3-dienyl)-3 methylmaleic anhydride (CHEBI:204112) is a monoterpenoid (CHEBI:25409)

IUPAC Name

(2E,4E)-2-ethyl-5-(4-methyl-2,5-dioxouran-3-yl)penta-2,4-dienoic acid