CHEBI:59100 - 9,9,9-trimethylisoeugenol

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ChEBI Name 9,9,9-trimethylisoeugenol ChEBI ID CHEBI:59100 Definition A derivative of isoeugenol with three methyl substituents at position 9. 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 C13H18O2 Net Charge 0 Average Mass 206.28080 Monoisotopic Mass 206.13068 InChI InChI=1S/C13H18O2/c1-13(2,3)8-7-10-5-6-11(14)12(9-10)15-4/h5-9,14H,1-4H3/b8-7+ InChIKey HOVIWFSVMUOTIZ-BQYQJAHWSA-N SMILES COc1cc(ccc1O)\C=C\C(C)(C)C ChEBI Ontology Outgoing 9,9,9-trimethylisoeugenol (CHEBI:59100) has functional parent guaiacol (CHEBI:28591) 9,9,9-trimethylisoeugenol (CHEBI:59100) is a phenylpropanoid (CHEBI:26004) IUPAC Name 4-[(1E)-3,3-dimethylbut-1-en-1-yl]-2-methoxyphenol Registry Numbers Types Sources 8832839 Beilstein Registry Number Beilstein 8832839 Reaxys Registry Number Reaxys Citation Type Source 9084914 PubMed citation Europe PMC Last Modified 14 April 2016