EMBL-EBI | Chemical Biology | ChEBI

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

CHEBI:209517 - 4'-Hydroxymethyl-1-phenyl-n-hexan-1-one

ChEBI IDCHEBI:209517
ChEBI Name4'-Hydroxymethyl-1-phenyl-n-hexan-1-one
Stars
SubmitterMetaboLights
DownloadsMolfile
FormulaC13H18O2
Net Charge0
Average Mass206.285
Monoisotopic Mass206.13068
SMILESCCCCCC(=O)c1ccc(CO)cc1
InChIInChI=1S/C13H18O2/c1-2-3-4-5-13(15)12-8-6-11(10-14)7-9-12/h6-9,14H,2-5,10H2,1H3
InChIKeyGGGCQMJCBODCQF-UHFFFAOYSA-N
Species of MetaboliteComponentSourceComments
Agaricus blazei (ncbitaxon:79798) - PubMed (21240679)
ChEBI Ontology
Outgoing Relation(s)
4'-Hydroxymethyl-1-phenyl-n-hexan-1-one (CHEBI:209517) is a aromatic ketone (CHEBI:76224)
IUPAC Name 
1-[4-(hydroxymethyl)phenyl]hexan-1-one
Manual XrefsDatabases
78435096ChemSpider