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CHEBI:220563 - 1',2'-epoxy-3',4'-didehydropenicillide

ChEBI IDCHEBI:220563
ChEBI Name1',2'-epoxy-3',4'-didehydropenicillide
Stars
SubmitterMetaboLights
DownloadsMolfile
FormulaC21H20O6
Net Charge0
Average Mass368.385
Monoisotopic Mass368.12599
SMILESC=C(C)C1OC1c1ccc2c(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
InChIKeyBLJNAQWNZHOUNA-UHFFFAOYSA-N
Species of MetaboliteComponentSourceComments
Pestalotiopsis (ncbitaxon:37840) - PubMed (31474098)
ChEBI Ontology
Outgoing Relation(s)
1',2'-epoxy-3',4'-didehydropenicillide (CHEBI:220563) is a aromatic ether (CHEBI:35618)
IUPAC Name 
6-hydroxy-1-methoxy-8-methyl-2-(3-prop-1-en-2-yloxiran-2-yl)-10H-benzo[b][1,5]benzodioxocin-12-one