CHEBI:88865 - 1,3-Di-tert-butylbenzene

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ChEBI Name 1,3-Di-tert-butylbenzene ChEBI ID CHEBI:88865 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 C14H22 C14H22 Net Charge 0 Average Mass 190.325 Monoisotopic Mass 190.17215 InChI InChI=1S/C14H22/c1-13(2,3)11-8-7-9-12(10-11)14(4,5)6/h7-10H,1-6H3 InChIKey ILNDSSCEZZFNGE-UHFFFAOYSA-N SMILES CC(C)(C)C=1C=CC=C(C1)C(C)(C)C Metabolite of Species Details Homo sapiens (NCBI:txid9606) Found in saliva (UBERON:0001836). See: Dame, ZT. et al. (2014) The Human Saliva Metabolome (manuscript in preparation) Homo sapiens (NCBI:txid9606) Found in faeces (UBERON:0001988). See: PubMed ChEBI Ontology Outgoing 1,3-Di-tert-butylbenzene (CHEBI:88865) is a alkylbenzene (CHEBI:38976) IUPAC Name 1,3-di-tert-butylbenzene Synonym Source m-di-tert-butylbenzene ChEBI Manual Xref Database HMDB0061923 HMDB View more database links Citations Types Sources 12816484 PubMed citation Europe PMC 17285654 PubMed citation Europe PMC 21405997 PubMed citation Europe PMC 21970810 PubMed citation Europe PMC 22609166 PubMed citation Europe PMC Last Modified 09 August 2018