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CHEBI:215003 - 3′-O-methyldehydroisopenicillide

ChEBI IDCHEBI:215003
ChEBI Name3′-O-methyldehydroisopenicillide
Stars
SubmitterMetaboLights
DownloadsMolfile
FormulaC22H24O6
Net Charge0
Average Mass384.428
Monoisotopic Mass384.15729
SMILESCOc1c(/C=C/C(C)(C)OC)ccc2c1C(=O)OCc1cc(C)cc(O)c1O2
InChIInChI=1S/C22H24O6/c1-13-10-15-12-27-21(24)18-17(28-19(15)16(23)11-13)7-6-14(20(18)25-4)8-9-22(2,3)26-5/h6-11,23H,12H2,1-5H3/b9-8+
InChIKeyJZRZUVUPQOWUMF-CMDGGOBGSA-N
Species of MetaboliteComponentSourceComments
Penicilliumspecies (ncbitaxon:5081) - DOI (10.1080/10575630008043788)
ChEBI Ontology
Outgoing Relation(s)
3′-O-methyldehydroisopenicillide (CHEBI:215003) is a aromatic ether (CHEBI:35618)
IUPAC Name 
6-hydroxy-1-methoxy-2-[(E)-3-methoxy-3-methylbut-1-enyl]-8-methyl-10H-benzo[b][1,5]benzodioxocin-12-one
Manual XrefsDatabases
8040558ChemSpider