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CHEBI:194004 - 4-(3,4-dihydroxy-5-methoxyphenyl)butan-2-one

ChEBI IDCHEBI:194004
ChEBI Name4-(3,4-dihydroxy-5-methoxyphenyl)butan-2-one
Stars
SubmitterMetaboLights
DownloadsMolfile
FormulaC11H14O4
Net Charge0
Average Mass210.229
Monoisotopic Mass210.08921
SMILESCOc1cc(CCC(C)=O)cc(O)c1O
InChIInChI=1S/C11H14O4/c1-7(12)3-4-8-5-9(13)11(14)10(6-8)15-2/h5-6,13-14H,3-4H2,1-2H3
InChIKeyMLJHLBVGRHTZEG-UHFFFAOYSA-N
Species of MetaboliteComponentSourceComments
synthetic microbial community (ncbitaxon:3229850) Whole Organism (NCIT:C13413) MetaboLights (MTBLS3129)
ChEBI Ontology
Outgoing Relation(s)
4-(3,4-dihydroxy-5-methoxyphenyl)butan-2-one (CHEBI:194004) is a methoxybenzenes (CHEBI:51683)
4-(3,4-dihydroxy-5-methoxyphenyl)butan-2-one (CHEBI:194004) is a phenols (CHEBI:33853)
IUPAC Name 
4-(3,4-dihydroxy-5-methoxyphenyl)butan-2-one
Manual XrefsDatabases
62797670ChemSpider