EMBL-EBI | Chemical Biology | ChEBI

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

CHEBI:221535 - Actiketal

ChEBI IDCHEBI:221535
ChEBI NameActiketal
Stars
SubmitterMetaboLights
DownloadsMolfile
FormulaC15H15NO5
Net Charge0
Average Mass289.287
Monoisotopic Mass289.09502
SMILESCc1cc(C)c2c(c1)C(=O)[C@](O)(C1CC(=O)NC(=O)C1)O2
InChIInChI=1S/C15H15NO5/c1-7-3-8(2)13-10(4-7)14(19)15(20,21-13)9-5-11(17)16-12(18)6-9/h3-4,9,20H,5-6H2,1-2H3,(H,16,17,18)/t15-/m0/s1
InChIKeyJGRHJZLSKWAAPV-HNNXBMFYSA-N
Species of MetaboliteComponentSourceComments
Streptomyces (ncbitaxon:1883) - PubMed (2010356)
ChEBI Ontology
Outgoing Relation(s)
Actiketal (CHEBI:221535) is a benzofurans (CHEBI:35259)
IUPAC Name 
4-[(2S)-2-hydroxy-5,7-dimethyl-3-oxo-1-benzouran-2-yl]piperidine-2,6-dione
Manual XrefsDatabases
78442927ChemSpider