CHEBI:88829 - 3,5-Bis(1,1-dimethylethyl)-4-hydroxy-benzoic acid ethyl ester

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ChEBI Name 3,5-Bis(1,1-dimethylethyl)-4-hydroxy-benzoic acid ethyl ester ChEBI ID CHEBI:88829 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 Formula C16H24O3 Net Charge 0 Average Mass 264.361 Monoisotopic Mass 264.17254 InChI InChI=1S/C16H24O3/c1-15(2,3)11-8-10(14(18)19-7)9-12(13(11)17)16(4,5)6/h8-9,17H,1-7H3 InChIKey UPVYFJALDJUSOV-UHFFFAOYSA-N SMILES CC(C)(C)C=1C=C(C=C(C1O)C(C)(C)C)C(=O)OC 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) ChEBI Ontology Outgoing 3,5-Bis(1,1-dimethylethyl)-4-hydroxy-benzoic acid ethyl ester (CHEBI:88829) is a benzoate ester (CHEBI:36054) Synonym Source methyl 3,5-di-tert-butyl-4-hydroxybenzoate HMDB Manual Xref Database HMDB0061935 HMDB View more database links