CHEBI:82911 - thymol sulfate

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ChEBI Name thymol sulfate ChEBI ID CHEBI:82911 Definition An organic sulfate of thymol. Stars This entity has been manually annotated by the ChEBI Team. 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 C10H14O4S Net Charge 0 Average Mass 230.28100 Monoisotopic Mass 230.06128 InChI InChI=1S/C10H14O4S/c1-7(2)9-5-4-8(3)6-10(9)14-15(11,12)13/h4-7H,1-3H3,(H,11,12,13) InChIKey NODSEPOUFZPJEQ-UHFFFAOYSA-N SMILES CC(C)c1ccc(C)cc1OS(O)(=O)=O Roles Classification Biological Role(s): human xenobiotic metabolite Any human metabolite produced by metabolism of a xenobiotic compound in humans. View more via ChEBI Ontology ChEBI Ontology Outgoing thymol sulfate (CHEBI:82911) has functional parent thymol (CHEBI:27607) thymol sulfate (CHEBI:82911) has role human xenobiotic metabolite (CHEBI:76967) thymol sulfate (CHEBI:82911) is a aryl sulfate (CHEBI:37919) thymol sulfate (CHEBI:82911) is a monoterpenoid (CHEBI:25409) thymol sulfate (CHEBI:82911) is conjugate acid of thymol sulfate(1−) (CHEBI:133663) Incoming thymol sulfate(1−) (CHEBI:133663) is conjugate base of thymol sulfate (CHEBI:82911) IUPAC Name 5-methyl-2-(propan-2-yl)phenyl hydrogen sulfate Registry Number Type Source 3312332 Reaxys Registry Number Reaxys Citations Types Sources 11863281 PubMed citation Europe PMC 12092740 PubMed citation Europe PMC 22939267 PubMed citation Europe PMC Last Modified 06 October 2016