EMBL-EBI | Chemical Biology | ChEBI

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

CHEBI:226829 - Aspopyrone A

ChEBI IDCHEBI:226829
ChEBI NameAspopyrone A
Stars
SubmitterMetaboLights
DownloadsMolfile
FormulaC21H22O3
Net Charge0
Average Mass322.404
Monoisotopic Mass322.15689
SMILESCC(=CC=Cc1ccccc1)C=C(C)c1oc(=O)c(C)c(O)c1C
InChIInChI=1S/C21H22O3/c1-14(9-8-12-18-10-6-5-7-11-18)13-15(2)20-16(3)19(22)17(4)21(23)24-20/h5-13,22H,1-4H3
InChIKeyPXNCEFPHWZZORU-UHFFFAOYSA-N
Species of MetaboliteComponentSourceComments
Aspergillus (ncbitaxon:5052) - PubMed (29679041)
ChEBI Ontology
Outgoing Relation(s)
Aspopyrone A (CHEBI:226829) is a styrenes (CHEBI:26799)
IUPAC Name 
4-hydroxy-3,5-dimethyl-6-(4-methyl-7-phenylhepta-2,4,6-trien-2-yl)pyran-2-one