methyl 2-(2-acetyl-4,5-dimethoxyphenyl)acetate (CHEBI:228493)

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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	methyl 2-(2-acetyl-4,5-dimethoxyphenyl)acetate

ChEBI ID	CHEBI:228493

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

Submitter	MetaboLights

Supplier Information

Download	Molfile XML SDF

Formula

C13H16O5

Net Charge

Average Mass

252.266

Monoisotopic Mass

252.09977

InChI

InChI=1S/C13H16O5/c1-8(14)10-7-12(17-3)11(16-2)5-9(10)6-13(15)18-4/h5,7H,6H2,1-4H3

InChIKey

GJRQPRICGHKGAS-UHFFFAOYSA-N

SMILES

O(C=1C=C(C(=CC1OC)C(=O)C)CC(OC)=O)C

Metabolite of Species	Details
Homo sapiens (NCBI:txid9606)	Found in urine (BTO:0001419). See: MetaboLights Study

ChEBI Ontology
Outgoing	methyl 2-(2-acetyl-4,5-dimethoxyphenyl)acetate (CHEBI:228493) is a aromatic ketone (CHEBI:76224)

IUPAC Name

methyl 2-(2-acetyl-4,5-dimethoxyphenyl)acetate