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CHEBI:89187 - 2,6-Di-tert-butylbenzoquinone

ChEBI IDCHEBI:89187
ChEBI Name2,6-Di-tert-butylbenzoquinone
Stars
Last Modified3 June 2016
DownloadsMolfile
FormulaC14H20O2
Net Charge0
Average Mass220.312
Monoisotopic Mass220.14633
SMILESCC(C)(C)C1=CC(=O)C=C(C(C)(C)C)C1=O
InChIInChI=1S/C14H20O2/c1-13(2,3)10-7-9(15)8-11(12(10)16)14(4,5)6/h7-8H,1-6H3
InChIKeyRDQSIADLBQFVMY-UHFFFAOYSA-N
Species of MetaboliteComponentSourceComments
Homo sapiens (ncbitaxon:9606) urine (BTO:0001419) Article (Zhang, S., Liu, L., Steffen, D., Ye, T., Raftery, D. (2012) Metabolic profiling of gender: Headspace-SPME/GC–MS and 1H NMR analysis of urine. Metabolomics 8:323–334.)
ChEBI Ontology
Outgoing Relation(s)
2,6-Di-tert-butylbenzoquinone (CHEBI:89187) is a 1,4-benzoquinones (CHEBI:132124)
Synonyms  Source
2,6-Di-t-Butyl-p-benzoquinoneHMDB
2,6-Bis-(1,1-Dimethylethyl)-2,5-cycloxehadien-1,4-dioneHMDB
2,6-Bis(1,1-dimethylethyl)-2,5-Cyclohexadiene-1,4-dioneHMDB
2,6-Bis-tert-ButylbenzoquinoneHMDB
2,6-Di-tert-butylquinoneHMDB
2, 6-Di-tert-butyl-p-benzoquinoneHMDB
Manual XrefsDatabases
HMDB0013817HMDB
Registry NumbersSources
CAS:719-22-2KEGG COMPOUND