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CHEBI:35096 - p-tert-Amylphenol

ChEBI IDCHEBI:35096
ChEBI Namep-tert-Amylphenol
Stars
Last Modified23 October 2015
DownloadsMolfile
FormulaC11H16O
Net Charge0
Average Mass164.248
Monoisotopic Mass164.12012
SMILESCCC(C)(C)c1ccc(O)cc1
InChIInChI=1S/C11H16O/c1-4-11(2,3)9-5-7-10(12)8-6-9/h5-8,12H,4H2,1-3H3
InChIKeyNRZWYNLTFLDQQX-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)
p-tert-Amylphenol (CHEBI:35096) is a alkylbenzene (CHEBI:38976)
Synonyms  Source
p-tert-AmylphenolKEGG COMPOUND
4-t-AmylphenolKEGG COMPOUND
4-tert-PentylphenolKEGG COMPOUND
4-tert-OctylphenolHMDB
p-(Tert-octyl)-PhenolHMDB
Octylphenol ptHMDB
Manual XrefsDatabases
C14226KEGG COMPOUND
HMDB0013825HMDB
Registry NumbersSources
CAS:80-46-6KEGG COMPOUND
CAS:140-66-9KEGG COMPOUND