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CHEBI:200313 - Penicilazaphilone A

ChEBI IDCHEBI:200313
ChEBI NamePenicilazaphilone A
Stars
SubmitterMetaboLights
DownloadsMolfile
FormulaC22H32O6
Net Charge0
Average Mass392.492
Monoisotopic Mass392.21989
SMILESCC[C@H](C)C1OC(C)(C)OC1(C)/C=C/C1=CC2=CC(=O)[C@](C)(O)[C@H](O)[C@H]2CO1
InChIInChI=1S/C22H32O6/c1-7-13(2)19-21(5,28-20(3,4)27-19)9-8-15-10-14-11-17(23)22(6,25)18(24)16(14)12-26-15/h8-11,13,16,18-19,24-25H,7,12H2,1-6H3/b9-8+/t13-,16-,18+,19?,21?,22-/m0/s1
InChIKeyIWEMHAGFVAXHLO-BJFLWUPSSA-N
Species of MetaboliteComponentSourceComments
Penicillium (ncbitaxon:5073) - PubMed (20686255)
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 A (CHEBI:200313) is a azaphilone (CHEBI:50941)
IUPAC Name 
(7R,8R,8aR)-3-[(E)-2-[5-[(2S)-butan-2-yl]-2,2,4-trimethyl-1,3-dioxolan-4-yl]ethenyl]-7,8-dihydroxy-7-methyl-8,8a-dihydro-1H-isochromen-6-one
Manual XrefsDatabases
28287871ChemSpider