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CHEBI:169538 - 4-(4-Methoxyphenyl)-2-butanone

ChEBI IDCHEBI:169538
ChEBI Name4-(4-Methoxyphenyl)-2-butanone
Stars
SubmitterMetaboLights
DownloadsMolfile
FormulaC11H14O2
Net Charge0
Average Mass178.231
Monoisotopic Mass178.09938
SMILESCOc1ccc(CCC(C)=O)cc1
InChIInChI=1S/C11H14O2/c1-9(12)3-4-10-5-7-11(13-2)8-6-10/h5-8H,3-4H2,1-2H3
InChIKeyPCBSXBYCASFXTM-UHFFFAOYSA-N
Species of MetaboliteComponentSourceComments
Malus domestica (ncbitaxon:3750) exocarp (BTO:0000733) MetaboLights (MTBLS2384) Strain: Malus x domestica Borkh. cv. Ruixue
ChEBI Ontology
Outgoing Relation(s)
4-(4-Methoxyphenyl)-2-butanone (CHEBI:169538) is a methoxybenzenes (CHEBI:51683)
IUPAC Name 
4-(4-methoxyphenyl)butan-2-one
Manual XrefsDatabases
HMDB0033597HMDB
54968ChemSpider
Registry NumbersSources
CAS:104-20-1ChemIDplus