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

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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′-didehydro-penicillide

ChEBI ID	CHEBI:214706

Stars	This entity has been manually annotated by a third party.

Submitter	MetaboLights

Supplier Information

Download	Molfile XML SDF

Formula

C21H20O6

Net Charge

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/t17-,20-/m1/s1

InChIKey

BLJNAQWNZHOUNA-YLJYHZDGSA-N

SMILES

O=C1OCC2=C(C(O)=CC(=C2)C)OC=3C1=C(OC)C(=CC3)[C@H]4O[C@@H]4C(=C)C

Metabolite of Species	Details
Penicilliumspecies (NCBI:txid5081)	See: DOI

ChEBI Ontology
Outgoing	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