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CHEBI:207068 - Penicilone C

ChEBI IDCHEBI:207068
ChEBI NamePenicilone C
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SubmitterMetaboLights
DownloadsMolfile
FormulaC29H35ClO7
Net Charge0
Average Mass531.045
Monoisotopic Mass530.20713
SMILESCCCCCCC(C)/C=C(\C)C(=O)O[C@@]1(C)C(=O)C2=COC(C3=C(C)CC(O)CC3=O)=CC2=C(Cl)C1=O
InChIInChI=1S/C29H35ClO7/c1-6-7-8-9-10-16(2)11-18(4)28(35)37-29(5)26(33)21-15-36-23(14-20(21)25(30)27(29)34)24-17(3)12-19(31)13-22(24)32/h11,14-16,19,31H,6-10,12-13H2,1-5H3/b18-11+/t16?,19?,29-/m0/s1
InChIKeyNVHCPOZPGZLIDP-ZZMKLGTMSA-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 C (CHEBI:207068) is a azaphilone (CHEBI:50941)
IUPAC Name 
[(7S)-5-chloro-3-(4-hydroxy-2-methyl-6-oxocyclohexen-1-yl)-7-methyl-6,8-dioxoisochromen-7-yl] (E)-2,4-dimethyldec-2-enoate
Manual XrefsDatabases
61708593ChemSpider