EMBL-EBI | Chemical Biology | ChEBI

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

CHEBI:193982 - 3-benzyl-4-hydroxybutan-2-one

Default Structure
ChEBI IDCHEBI:193982
ChEBI Name3-benzyl-4-hydroxybutan-2-one
Stars
SubmitterMetaboLights
DownloadsMolfile
FormulaC11H14O2
Net Charge0
Average Mass178.231
Monoisotopic Mass178.09938
SMILESCC(=O)C(CO)Cc1ccccc1
InChIInChI=1S/C11H14O2/c1-9(13)11(8-12)7-10-5-3-2-4-6-10/h2-6,11-12H,7-8H2,1H3
InChIKeyQIEPEXBZWZNCAY-UHFFFAOYSA-N
Species of MetaboliteComponentSourceComments
synthetic microbial community (ncbitaxon:3229850) Whole Organism (NCIT:C13413) MetaboLights (MTBLS3129)
ChEBI Ontology
Outgoing Relation(s)
3-benzyl-4-hydroxybutan-2-one (CHEBI:193982) is a benzenes (CHEBI:22712)
IUPAC Name 
3-benzyl-4-hydroxybutan-2-one
Manual XrefsDatabases
9042186ChemSpider