1',2'-dehydropenicillide (CHEBI:220555)

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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'-dehydropenicillide

ChEBI ID	CHEBI:220555

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

Submitter	MetaboLights

Supplier Information

Download	Molfile XML SDF

Formula

C21H22O6

Net Charge

Average Mass

370.401

Monoisotopic Mass

370.14164

InChI

InChI=1S/C21H22O6/c1-12-9-14-11-26-20(23)17-16(27-18(14)15(22)10-12)6-5-13(19(17)25-4)7-8-21(2,3)24/h5-10,22,24H,11H2,1-4H3/b8-7+

InChIKey

CDCIKAPGWWMGGE-BQYQJAHWSA-N

SMILES

O=C1OCC2=C(C(O)=CC(=C2)C)OC=3C1=C(OC)C(=CC3)/C=C/C(O)(C)C

Metabolite of Species	Details
Pestalotiopsis (NCBI:txid37840)	See: PubMed

ChEBI Ontology
Outgoing	1',2'-dehydropenicillide (CHEBI:220555) is a aromatic ether (CHEBI:35618)

IUPAC Name

6-hydroxy-2-[(E)-3-hydroxy-3-methylbut-1-enyl]-1-methoxy-8-methyl-10H-benzo[b][1,5]benzodioxocin-12-one