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CHEBI:207054 - Penicilone A

ChEBI IDCHEBI:207054
ChEBI NamePenicilone A
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SubmitterMetaboLights
DownloadsMolfile
FormulaC29H36O7
Net Charge0
Average Mass496.600
Monoisotopic Mass496.24610
SMILESCCCCCCC(C)/C=C(\C)C(=O)O[C@@]1(C)C(=O)C=C2C=C(C3=C(C)C[C@@H](O)CC3=O)OC=C2C1=O
InChIInChI=1S/C29H36O7/c1-6-7-8-9-10-17(2)11-19(4)28(34)36-29(5)25(32)14-20-13-24(35-16-22(20)27(29)33)26-18(3)12-21(30)15-23(26)31/h11,13-14,16-17,21,30H,6-10,12,15H2,1-5H3/b19-11+/t17?,21-,29+/m1/s1
InChIKeyIOPDDPJESUGXJM-JDGIDKFOSA-N
Species of MetaboliteComponentSourceComments
Penicillium (ncbitaxon:5073) - PubMed (28248508)
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)
Penicilone A (CHEBI:207054) is a azaphilone (CHEBI:50941)
IUPAC Name 
[(7S)-3-[(4R)-4-hydroxy-2-methyl-6-oxocyclohexen-1-yl]-7-methyl-6,8-dioxoisochromen-7-yl] (E)-2,4-dimethyldec-2-enoate
Manual XrefsDatabases
61708591ChemSpider