Daldinione E (CHEBI:224530)

Main

ChEBI Ontology

Automatic Xrefs

Reactions

Pathways

Models

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	Daldinione E

ChEBI ID	CHEBI:224530

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

Submitter	MetaboLights

Supplier Information

Download	Molfile XML SDF

Formula

C15H16O5

Net Charge

Average Mass

276.288

Monoisotopic Mass

276.09977

InChI

InChI=1S/C15H16O5/c1-5-9-11(16)6-10-12(14(9)19-4)13(17)7(2)8(3)20-15(10)18/h6,16H,5H2,1-4H3

InChIKey

KOBYSMRQNLEKKR-UHFFFAOYSA-N

SMILES

O=C1OC(=C(C)C(C2=C1C=C(O)C(=C2OC)CC)=O)C

Metabolite of Species	Details
Daldinia (NCBI:txid42360)	See: PubMed

ChEBI Ontology
Outgoing	Daldinione E (CHEBI:224530) is a methoxybenzenes (CHEBI:51683)

IUPAC Name

7-ethyl-8-hydroxy-6-methoxy-3,4-dimethyl-2-benzoxepine-1,5-dione