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CHEBI:207159 - Penazaphilone I

ChEBI IDCHEBI:207159
ChEBI NamePenazaphilone I
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SubmitterMetaboLights
DownloadsMolfile
FormulaC25H30ClNO6
Net Charge0
Average Mass475.969
Monoisotopic Mass475.17617
SMILESCC[C@H](C)C=C(C)C=CC1=CC2=C(Cl)C(=O)[C@@](C)(OC(C)=O)C(=O)C2=CN1CCCC(=O)O
InChIInChI=1S/C25H30ClNO6/c1-6-15(2)12-16(3)9-10-18-13-19-20(14-27(18)11-7-8-21(29)30)23(31)25(5,33-17(4)28)24(32)22(19)26/h9-10,12-15H,6-8,11H2,1-5H3,(H,29,30)/t15-,25-/m0/s1
InChIKeySAMXBYLRDCRTCV-MQNRADLISA-N
Species of MetaboliteComponentSourceComments
Penicillium (ncbitaxon:5073) - PubMed (30702881)
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)
Penazaphilone I (CHEBI:207159) is a azaphilone (CHEBI:50941)
IUPAC Name 
4-[(7S)-7-acetyloxy-5-chloro-3-[(5S)-3,5-dimethylhepta-1,3-dienyl]-7-methyl-6,8-dioxoisoquinolin-2-yl]butanoic acid