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

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This entity has been annotated by a third party. If you would like more information added to this entry, please contact ChEBI via email or GitHub.
ChEBI Name 1',2'-epoxy-3',4'-didehydropenicillide
ChEBI ID CHEBI:220563
Stars This entity has been manually annotated by a third party.
Submitter MetaboLights
Supplier Information
Download Molfile XML SDF
Formula C21H20O6
Net Charge 0
Average Mass 368.385
Monoisotopic Mass 368.12599
InChI InChI=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
InChIKey BLJNAQWNZHOUNA-UHFFFAOYSA-N
SMILES O=C1OCC2=C(C(O)=CC(=C2)C)OC=3C1=C(OC)C(=CC3)C4OC4C(=C)C
Metabolite of Species Details
Pestalotiopsis (NCBI:txid37840) See: PubMed
ChEBI Ontology
Outgoing 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