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

ChEBI IDCHEBI:228493
ChEBI Namemethyl 2-(2-acetyl-4,5-dimethoxyphenyl)acetate
Stars
SubmitterMetaboLights
DownloadsMolfile
FormulaC13H16O5
Net Charge0
Average Mass252.266
Monoisotopic Mass252.09977
SMILESCOC(=O)Cc1cc(OC)c(OC)cc1C(C)=O
InChIInChI=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
InChIKeyGJRQPRICGHKGAS-UHFFFAOYSA-N
Species of MetaboliteComponentSourceComments
Homo sapiens (ncbitaxon:9606) urine (BTO:0001419) MetaboLights (MTBLS8662)
ChEBI Ontology
Outgoing Relation(s)
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
Manual XrefsDatabases
2009742ChemSpider