EMBL-EBI | Chemical Biology | ChEBI

Example searches: iron*, InChI=1S/CH4O/c1-2/h2H,1H3, caffeine | Advanced Search

CHEBI:168687 - 1-(5-Acetyl-2-hydroxyphenyl)-3-methyl-1-butanone

ChEBI IDCHEBI:168687
ChEBI Name1-(5-Acetyl-2-hydroxyphenyl)-3-methyl-1-butanone
Stars
SubmitterMetaboLights
DownloadsMolfile
FormulaC13H16O3
Net Charge0
Average Mass220.268
Monoisotopic Mass220.10994
SMILESCC(=O)c1ccc(O)c(C(=O)CC(C)C)c1
InChIInChI=1S/C13H16O3/c1-8(2)6-13(16)11-7-10(9(3)14)4-5-12(11)15/h4-5,7-8,15H,6H2,1-3H3
InChIKeySXPHHWILAWXFLE-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)
1-(5-Acetyl-2-hydroxyphenyl)-3-methyl-1-butanone (CHEBI:168687) is a aromatic ketone (CHEBI:76224)
IUPAC Name 
1-(5-acetyl-2-hydroxyphenyl)-3-methylbutan-1-one
Manual XrefsDatabases
26771417ChemSpider
HMDB0032589HMDB