EMBL-EBI | Chemical Biology | ChEBI

Example searches: iron*, InChI=1S/CH4O/c1-2/h2H,1H3, caffeine | Advanced Search

CHEBI:144316 - isotenuazonic acid

ChEBI IDCHEBI:144316
ChEBI Nameisotenuazonic acid
Stars
DefinitionA pyrroline cyclic ketone that is an isomer of tenuazonic acid, a mycotoxin produced by various plant pathogenic fungi.
Last Modified23 July 2019
SubmitterMarcus Ennis
DownloadsMolfile
FormulaC10H15NO3
Net Charge0
Average Mass197.234
Monoisotopic Mass197.10519
SMILESCC(=O)C1=C(O)C(CC(C)C)NC1=O
InChIInChI=1S/C10H15NO3/c1-5(2)4-7-9(13)8(6(3)12)10(14)11-7/h5,7,13H,4H2,1-3H3,(H,11,14)
InChIKeySHHAXAUQMPMPRV-UHFFFAOYSA-N
ChEBI Ontology
Outgoing Relation(s)
isotenuazonic acid (CHEBI:144316) is a cyclic ketone (CHEBI:3992)
isotenuazonic acid (CHEBI:144316) is a pyrroline (CHEBI:23763)
IUPAC Name 
3-acetyl-4-hydroxy-5-(2-methylpropyl)-1,5-dihydro-2H-pyrrol-2-one
Synonyms  Source
3-acetyl-4-hydroxy-5-isobutyl-1,5-dihydro-2H-pyrrol-2-oneIUPAC
iso-tenuazonic acidChEBI
Manual XrefsDatabases
CN1817859Patent
Citations