CHEBI:35096 - p-tert-Amylphenol

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ChEBI Name p-tert-Amylphenol ChEBI ID CHEBI:35096 Stars This entity has been manually annotated by a third party. Supplier Information Download Molfile XML SDF Find compounds which contain this structure Find compounds which resemble this structure Take structure to the Advanced Search Formulae C11H16O C11H16O Net Charge 0 Average Mass 164.245 Monoisotopic Mass 164.12012 InChI InChI=1S/C11H16O/c1-4-11(2,3)9-5-7-10(12)8-6-9/h5-8,12H,4H2,1-3H3 InChIKey NRZWYNLTFLDQQX-UHFFFAOYSA-N SMILES CCC(C)(C)c1ccc(O)cc1 Metabolite of Species Details Homo sapiens (NCBI:txid9606) Found in urine (BTO:0001419). See: 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 p-tert-Amylphenol (CHEBI:35096) is a alkylbenzene (CHEBI:38976) Synonyms Sources 4-(1,1,3,3-Tetramethylbutyl)-Phenol HMDB 4-(1,1,3,3-Tetramethylbutyl)phenol HMDB 4-(1,1,3,3-Tetramethylbutyl)phenol (ACD/Name 4.0) HMDB 4-(2-methylbutan-2-yl)phenol HMDB 4-t-Amylphenol KEGG COMPOUND 4-tert-Octylphenol HMDB 4-Tert-Octylphenol HMDB 4-tert-Pentylphenol KEGG COMPOUND Octylphenol pt HMDB p-(1',1',3', 3'-Tetramethylbutyl)phenol HMDB p-(1',1',3',3'-Tetramethylbutyl)phenol HMDB p-(1,1,3,3-Tetramethylbutyl)-Phenol HMDB p-(1,1,3,3-Tetramethylbutyl)phenol HMDB p-(Tert-octyl)-Phenol HMDB p-Octylphenol HMDB p-Octylphenol (VAN) HMDB p-Terc.oktylfenol HMDB p-Terc.oktylfenol(Czech) HMDB p-tert-Amylphenol KEGG COMPOUND p-Tert-Octylphenol HMDB p-tert-Octylphenol HMDB Para-tert-Octylphenol HMDB Tert-Octylphenol, flaked HMDB Manual Xrefs Databases C14226 KEGG COMPOUND HMDB0013825 HMDB View more database links Registry Numbers Types Sources 140-66-9 CAS Registry Number KEGG COMPOUND 80-46-6 CAS Registry Number KEGG COMPOUND Last Modified 23 October 2015