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CHEBI:222965 - Penicilone H

ChEBI IDCHEBI:222965
ChEBI NamePenicilone H
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SubmitterMetaboLights
DownloadsMolfile
FormulaC29H33BrO6
Net Charge0
Average Mass557.481
Monoisotopic Mass556.14605
SMILESCCCCCC[C@H](C)/C=C(\C)C(=O)O[C@]1(C)C(=O)C2=COC(c3c(C)cccc3O)=CC2=C(Br)C1=O
InChIInChI=1S/C29H33BrO6/c1-6-7-8-9-11-17(2)14-19(4)28(34)36-29(5)26(32)21-16-35-23(15-20(21)25(30)27(29)33)24-18(3)12-10-13-22(24)31/h10,12-17,31H,6-9,11H2,1-5H3/b19-14+/t17-,29+/m0/s1
InChIKeyAJUFJWUHEGAOEN-OJLOEHOFSA-N
Species of MetaboliteComponentSourceComments
Penicillium (ncbitaxon:5073) - PubMed (30693772)
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 H (CHEBI:222965) is a azaphilone (CHEBI:50941)
IUPAC Name 
[(7R)-5-bromo-3-(2-hydroxy-6-methylphenyl)-7-methyl-6,8-dioxoisochromen-7-yl] (E,4S)-2,4-dimethyldec-2-enoate
Manual XrefsDatabases
71120872ChemSpider