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CHEBI:59100 - 9,9,9-trimethylisoeugenol

ChEBI IDCHEBI:59100
ChEBI Name9,9,9-trimethylisoeugenol
Stars
DefinitionA derivative of isoeugenol with three methyl substituents at position 9.
Last Modified14 April 2016
Submitterzjosephs
DownloadsMolfile
FormulaC13H18O2
Net Charge0
Average Mass206.285
Monoisotopic Mass206.13068
SMILESCOc1cc(/C=C/C(C)(C)C)ccc1O
InChIInChI=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+
InChIKeyHOVIWFSVMUOTIZ-BQYQJAHWSA-N
ChEBI Ontology
Outgoing Relation(s)
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 NumbersSources
Reaxys:8832839Reaxys
Citations