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CHEBI:214706 - 1′,2′-epoxy-3′,4′-didehydro-penicillide

ChEBI IDCHEBI:214706
ChEBI Name1′,2′-epoxy-3′,4′-didehydro-penicillide
Stars
SubmitterMetaboLights
DownloadsMolfile
FormulaC21H20O6
Net Charge0
Average Mass368.385
Monoisotopic Mass368.12599
SMILESC=C(C)[C@H]1O[C@@H]1c1ccc2c(c1OC)C(=O)OCc1cc(C)cc(O)c1O2
InChIInChI=1S/C21H20O6/c1-10(2)17-20(27-17)13-5-6-15-16(19(13)24-4)21(23)25-9-12-7-11(3)8-14(22)18(12)26-15/h5-8,17,20,22H,1,9H2,2-4H3/t17-,20-/m1/s1
InChIKeyBLJNAQWNZHOUNA-YLJYHZDGSA-N
Species of MetaboliteComponentSourceComments
Penicilliumspecies (ncbitaxon:5081) - DOI (10.1080/10575630008043788)
ChEBI Ontology
Outgoing Relation(s)
1′,2′-epoxy-3′,4′-didehydro-penicillide (CHEBI:214706) is a aromatic ether (CHEBI:35618)
IUPAC Name 
6-hydroxy-1-methoxy-8-methyl-2-[(2R,3R)-3-prop-1-en-2-yloxiran-2-yl]-10H-benzo[b][1,5]benzodioxocin-12-one
Manual XrefsDatabases
78438593ChemSpider