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CHEBI:207019 - Pesthetoxin

ChEBI IDCHEBI:207019
ChEBI NamePesthetoxin
Stars
SubmitterMetaboLights
DownloadsMolfile
FormulaC12H18O4
Net Charge0
Average Mass226.272
Monoisotopic Mass226.12051
SMILESCCCCCC[C@@H]1OC(=O)C(C(C)=O)=C1O
InChIInChI=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
InChIKeyAVSUKYLMADAHPX-VIFPVBQESA-N
Species of MetaboliteComponentSourceComments
Pseudopestalotiopsis theae (ncbitaxon:218556) - PubMed (27388848)
ChEBI Ontology
Outgoing Relation(s)
Pesthetoxin (CHEBI:207019) is a butenolide (CHEBI:50523)
IUPAC Name 
4-acetyl-2-hexyl-3-hydroxy-2H-uran-5-one
Manual XrefsDatabases
78435082ChemSpider