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CHEBI:208545 - Peniciazaphilone E

ChEBI IDCHEBI:208545
ChEBI NamePeniciazaphilone E
Stars
SubmitterMetaboLights
DownloadsMolfile
FormulaC19H25ClO6
Net Charge0
Average Mass384.856
Monoisotopic Mass384.13397
SMILESC[C@H]1CCO[C@H]1[C@](C)(O)/C=C/C1=CC2=C(Cl)C(=O)[C@](C)(O)[C@H](O)[C@@H]2CO1
InChIInChI=1S/C19H25ClO6/c1-10-5-7-25-17(10)18(2,23)6-4-11-8-12-13(9-26-11)15(21)19(3,24)16(22)14(12)20/h4,6,8,10,13,15,17,21,23-24H,5,7,9H2,1-3H3/b6-4+/t10-,13+,15+,17+,18+,19+/m0/s1
InChIKeyPJDCNSBNJSJJQM-PYRXNXNBSA-N
Species of MetaboliteComponentSourceComments
Penicillium sclerotiorum (ncbitaxon:69788) - DOI (10.1039/c7ra13327h)
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)
Peniciazaphilone E (CHEBI:208545) is a azaphilone (CHEBI:50941)
IUPAC Name 
(7R,8R,8aS)-5-chloro-7,8-dihydroxy-3-[(E,3R)-3-hydroxy-3-[(2R,3S)-3-methyloxolan-2-yl]but-1-enyl]-7-methyl-8,8a-dihydro-1H-isochromen-6-one
Manual XrefsDatabases
64808958ChemSpider