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CHEBI:222528 - Peniazaphilone C

ChEBI IDCHEBI:222528
ChEBI NamePeniazaphilone C
Stars
SubmitterMetaboLights
DownloadsMolfile
FormulaC23H28ClNO5
Net Charge0
Average Mass433.932
Monoisotopic Mass433.16560
SMILESCC[C@H](C)/C=C(C)\C=C\C1=CC2=C(Cl)C(=O)[C@](C)(OC(C)=O)C(=O)C2=CN1CCO
InChIInChI=1S/C23H28ClNO5/c1-6-14(2)11-15(3)7-8-17-12-18-19(13-25(17)9-10-26)21(28)23(5,30-16(4)27)22(29)20(18)24/h7-8,11-14,26H,6,9-10H2,1-5H3/b8-7+,15-11-/t14-,23+/m0/s1
InChIKeyZQLIAKJHIRHCFA-RDDFFVSWSA-N
Species of MetaboliteComponentSourceComments
Penicilliumspecies zj-27 (ncbitaxon:1400944) - DOI (10.1016/j.phytol.2016.10.010)
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)
Peniazaphilone C (CHEBI:222528) is a azaphilone (CHEBI:50941)
IUPAC Name 
[(7R)-5-chloro-3-[(1E,3Z,5S)-3,5-dimethylhepta-1,3-dienyl]-2-(2-hydroxyethyl)-7-methyl-6,8-dioxoisoquinolin-7-yl] acetate
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78442057ChemSpider