Pesthetoxin (CHEBI:207019)

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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	Pesthetoxin

ChEBI ID	CHEBI:207019

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

Submitter	MetaboLights

Supplier Information

Download	Molfile XML SDF

Formula

C12H18O4

Net Charge

Average Mass

226.272

Monoisotopic Mass

226.12051

InChI

InChI=1S/C12H18O4/c1-3-4-5-6-7-9-11(14)10(8(2)13)12(15)16-9/h9,14H,3-7H2,1-2H3/t9-/m0/s1

InChIKey

AVSUKYLMADAHPX-VIFPVBQESA-N

SMILES

O=C1O[C@@H](CCCCCC)C(=C1C(=O)C)O

Metabolite of Species	Details
Pseudopestalotiopsis theae (NCBI:txid218556)	See: PubMed

ChEBI Ontology
Outgoing	Pesthetoxin (CHEBI:207019) is a butenolide (CHEBI:50523)

IUPAC Name

4-acetyl-2-hexyl-3-hydroxy-2H-uran-5-one