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CHEBI:227990 - Penicilazaphilone C

ChEBI IDCHEBI:227990
ChEBI NamePenicilazaphilone C
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SubmitterMetaboLights
DownloadsMolfile
FormulaC20H29ClO7
Net Charge0
Average Mass416.898
Monoisotopic Mass416.16018
SMILESCCC(C)C(O)C(C)(O)C(O)/C=C/C1=CC2=C(Cl)C(=O)[C@](C)(O)[C@H](O)C2CO1
InChIInChI=1S/C20H29ClO7/c1-5-10(2)16(23)19(3,26)14(22)7-6-11-8-12-13(9-28-11)17(24)20(4,27)18(25)15(12)21/h6-8,10,13-14,16-17,22-24,26-27H,5,9H2,1-4H3/b7-6+/t10?,13?,14?,16?,17-,19?,20-/m1/s1
InChIKeyTZYUJRSJKZJSDF-AZYXQUOMSA-N
Species of MetaboliteComponentSourceComments
Penicillium (ncbitaxon:5073) - PubMed (27605109)
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)
Penicilazaphilone C (CHEBI:227990) is a azaphilone (CHEBI:50941)
IUPAC Name 
(7R,8R)-5-chloro-7,8-dihydroxy-7-methyl-3-[(E)-3,4,5-trihydroxy-4,6-dimethyloct-1-enyl]-8,8a-dihydro-1H-isochromen-6-one
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60597186ChemSpider