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CHEBI:214288 - Peniazaphilone D

ChEBI IDCHEBI:214288
ChEBI NamePeniazaphilone D
Stars
SubmitterMetaboLights
DownloadsMolfile
FormulaC22H28ClNO4
Net Charge0
Average Mass405.922
Monoisotopic Mass405.17069
SMILESCC[C@H](C)C=C(C)C=CC1=CC2=C(Cl)C(=O)[C@](C)(OC)C(=O)C2=CN1CCO
InChIInChI=1S/C22H28ClNO4/c1-6-14(2)11-15(3)7-8-16-12-17-18(13-24(16)9-10-25)20(26)22(4,28-5)21(27)19(17)23/h7-8,11-14,25H,6,9-10H2,1-5H3/t14-,22+/m0/s1
InChIKeyOQBMKYQRSFMIJA-RCDICMHDSA-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 D (CHEBI:214288) is a azaphilone (CHEBI:50941)
IUPAC Name 
(7R)-5-chloro-3-[(5S)-3,5-dimethylhepta-1,3-dienyl]-2-(2-hydroxyethyl)-7-methoxy-7-methylisoquinoline-6,8-dione