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CHEBI:223507 - Prenpenicillide

ChEBI IDCHEBI:223507
ChEBI NamePrenpenicillide
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SubmitterMetaboLights
DownloadsMolfile
FormulaC21H22O5
Net Charge0
Average Mass354.402
Monoisotopic Mass354.14672
SMILESCOc1c(CC=C(C)C)ccc2c1C(=O)OCc1cc(C)cc(O)c1O2
InChIInChI=1S/C21H22O5/c1-12(2)5-6-14-7-8-17-18(20(14)24-4)21(23)25-11-15-9-13(3)10-16(22)19(15)26-17/h5,7-10,22H,6,11H2,1-4H3
InChIKeyDAYHBPLBWJDGSZ-UHFFFAOYSA-N
Species of MetaboliteComponentSourceComments
Penicillium (ncbitaxon:5073) - DOI (10.1002/hlca.201200596)
ChEBI Ontology
Outgoing Relation(s)
Prenpenicillide (CHEBI:223507) is a aromatic ether (CHEBI:35618)
IUPAC Name 
6-hydroxy-1-methoxy-8-methyl-2-(3-methylbut-2-enyl)-10H-benzo[b][1,5]benzodioxocin-12-one
Manual XrefsDatabases
29215533ChemSpider