CHEBI:188365 - cyclohexanone, 4-(1,1-dimethylethyl)-

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ChEBI Name cyclohexanone, 4-(1,1-dimethylethyl)-
ChEBI ID CHEBI:188365
Stars This entity has been manually annotated by a third party.
Submitter MetaboLights
Supplier Information
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Formula C10H18O
Net Charge 0
Average Mass 154.253
Monoisotopic Mass 154.13577
InChI InChI=1S/C10H18O/c1-10(2,3)8-4-6-9(11)7-5-8/h8H,4-7H2,1-3H3
InChIKey YKFKEYKJGVSEIX-UHFFFAOYSA-N
SMILES O=C1CCC(C(C)(C)C)CC1
Metabolite of Species Details
Vitis vinifera (NCBI:txid29760) Found in Wine (NCIT:C66822). See: MetaboLights Study
ChEBI Ontology
Outgoing cyclohexanone, 4-(1,1-dimethylethyl)- (CHEBI:188365) is a cyclic ketone (CHEBI:3992)
IUPAC Name
4-tert-butylcyclohexan-1-one
Manual Xrefs Databases
7114 ChemSpider
HMDB0059869 HMDB
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Registry Number Type Source
98-53-3 CAS Registry Number ChemIDplus