EMBL-EBI | Chemical Biology | ChEBI

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

CHEBI:190566 - 1-[6-(benzyloxy)-3-(tert-butyl)-2-hydroxyphenyl]ethan-1-one

ChEBI IDCHEBI:190566
ChEBI Name1-[6-(benzyloxy)-3-(tert-butyl)-2-hydroxyphenyl]ethan-1-one
Stars
SubmitterMetaboLights
DownloadsMolfile
FormulaC19H22O3
Net Charge0
Average Mass298.382
Monoisotopic Mass298.15689
SMILESCC(=O)c1c(OCc2ccccc2)ccc(C(C)(C)C)c1O
InChIInChI=1S/C19H22O3/c1-13(20)17-16(22-12-14-8-6-5-7-9-14)11-10-15(18(17)21)19(2,3)4/h5-11,21H,12H2,1-4H3
InChIKeyIGAIKPFJTNZHEJ-UHFFFAOYSA-N
Species of MetaboliteComponentSourceComments
Rattus norvegicus (ncbitaxon:10116) liver (BTO:0000759) MetaboLights (MTBLS4163)
ChEBI Ontology
Outgoing Relation(s)
1-[6-(benzyloxy)-3-(tert-butyl)-2-hydroxyphenyl]ethan-1-one (CHEBI:190566) is a aromatic ketone (CHEBI:76224)
IUPAC Name 
1-(3-tert-butyl-2-hydroxy-6-phenylmethoxyphenyl)ethanone
Manual XrefsDatabases
2080225ChemSpider