EMBL-EBI | Chemical Biology | ChEBI

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

CHEBI:220680 - Patulodin

ChEBI IDCHEBI:220680
ChEBI NamePatulodin
Stars
SubmitterMetaboLights
DownloadsMolfile
FormulaC23H26O8
Net Charge0
Average Mass430.453
Monoisotopic Mass430.16277
SMILESC/C=C/C=C/C=C/C1=CC2=CC(=O)C(C)(OC(=O)CC(O)CC(C)O)C(=O)C23OC3O1
InChIInChI=1S/C23H26O8/c1-4-5-6-7-8-9-17-11-15-12-18(26)22(3,20(28)23(15)21(29-17)31-23)30-19(27)13-16(25)10-14(2)24/h4-9,11-12,14,16,21,24-25H,10,13H2,1-3H3/b5-4+,7-6+,9-8+
InChIKeyGWWPRBVUUXKASM-ZAJAATJQSA-N
Species of MetaboliteComponentSourceComments
Penicillium urticae (ncbitaxon:29844) - PubMed (7868395)
Roles Classification
Biological Role:
fungal metabolite  Any eukaryotic metabolite produced during a metabolic reaction in fungi, the kingdom that includes microorganisms such as the yeasts and moulds.
ChEBI Ontology
Outgoing Relation(s)
Patulodin (CHEBI:220680) is a azaphilone (CHEBI:50941)
IUPAC Name 
[3-[(1E,3E,5E)-hepta-1,3,5-trienyl]-7-methyl-6,8-dioxo-1aH-oxireno[2,3-j]isochromen-7-yl] 3,5-dihydroxyhexanoate
Manual XrefsDatabases
8653195ChemSpider