EMBL-EBI | Chemical Biology | ChEBI

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

CHEBI:202052 - Penicipyranone

ChEBI IDCHEBI:202052
ChEBI NamePenicipyranone
Stars
SubmitterMetaboLights
DownloadsMolfile
FormulaC10H16O4
Net Charge0
Average Mass200.234
Monoisotopic Mass200.10486
SMILESCCC1=C(CO)C(=O)C(C)(O)C(C)O1
InChIInChI=1S/C10H16O4/c1-4-8-7(5-11)9(12)10(3,13)6(2)14-8/h6,11,13H,4-5H2,1-3H3
InChIKeyHKKSFASXHWFMMU-UHFFFAOYSA-N
Species of MetaboliteComponentSourceComments
Penicillium (ncbitaxon:5073) - DOI (10.1016/j.tet.2010.04.073)
ChEBI Ontology
Outgoing Relation(s)
Penicipyranone (CHEBI:202052) is a pyranone (CHEBI:37963)
IUPAC Name 
6-ethyl-3-hydroxy-5-(hydroxymethyl)-2,3-dimethyl-2H-pyran-4-one
Manual XrefsDatabases
27024870ChemSpider