CHEBI:172483 - 4-Acetyl-6-tert-butyl-1,1-dimethylindane

ChEBI IDCHEBI:172483
ChEBI Name4-Acetyl-6-tert-butyl-1,1-dimethylindane
Stars
SubmitterMetaboLights
DownloadsMolfile
FormulaC17H24O
Net Charge0
Average Mass244.378
Monoisotopic Mass244.18272
SMILESCC(=O)c1cc(C(C)(C)C)cc2c1CCC2(C)C
InChIInChI=1S/C17H24O/c1-11(18)14-9-12(16(2,3)4)10-15-13(14)7-8-17(15,5)6/h9-10H,7-8H2,1-6H3
InChIKeyIKTHMQYJOWTSJO-UHFFFAOYSA-N
Species of MetaboliteComponentSourceComments
Homo sapiens (ncbitaxon:9606) blood plasma (BTO:0000131) MetaboLights (MTBLS2633)
ChEBI Ontology
Outgoing Relation(s)
4-Acetyl-6-tert-butyl-1,1-dimethylindane (CHEBI:172483) is a indanes (CHEBI:46940)
IUPAC Name 
1-(6-tert-butyl-1,1-dimethyl-2,3-dihydroinden-4-yl)ethanone
Manual XrefsDatabases
55495ChemSpider
HMDB0031867HMDB
Registry NumbersSources
CAS:13171-00-1ChemIDplus