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CHEBI:213343 - methyl 2-(2-acetyl-3,5-dihydroxy-4,6-dimethylphenyl)acetate

ChEBI IDCHEBI:213343
ChEBI Namemethyl 2-(2-acetyl-3,5-dihydroxy-4,6-dimethylphenyl)acetate
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SubmitterMetaboLights
DownloadsMolfile
FormulaC13H16O5
Net Charge0
Average Mass252.266
Monoisotopic Mass252.09977
SMILESCOC(=O)Cc1c(C)c(O)c(C)c(O)c1C(C)=O
InChIInChI=1S/C13H16O5/c1-6-9(5-10(15)18-4)11(8(3)14)13(17)7(2)12(6)16/h16-17H,5H2,1-4H3
InChIKeyUIHGIOXHCHTXPG-UHFFFAOYSA-N
Species of MetaboliteComponentSourceComments
Penicillium citrinum (ncbitaxon:5077) - DOI (10.1002/chin.201225207)
ChEBI Ontology
Outgoing Relation(s)
methyl 2-(2-acetyl-3,5-dihydroxy-4,6-dimethylphenyl)acetate (CHEBI:213343) is a aromatic ketone (CHEBI:76224)
IUPAC Name 
methyl 2-(2-acetyl-3,5-dihydroxy-4,6-dimethylphenyl)acetate
Manual XrefsDatabases
28289588ChemSpider