EMBL-EBI | Chemical Biology | ChEBI

Example searches: iron*, InChI=1S/CH4O/c1-2/h2H,1H3, caffeine | Advanced Search

CHEBI:169180 - 2,3,6-Trimethylphenol

ChEBI IDCHEBI:169180
ChEBI Name2,3,6-Trimethylphenol
Stars
SubmitterMetaboLights
DownloadsMolfile
FormulaC9H12O
Net Charge0
Average Mass136.194
Monoisotopic Mass136.08882
SMILESCc1ccc(C)c(O)c1C
InChIInChI=1S/C9H12O/c1-6-4-5-7(2)9(10)8(6)3/h4-5,10H,1-3H3
InChIKeyQQOMQLYQAXGHSU-UHFFFAOYSA-N
Species of MetaboliteComponentSourceComments
Malus domestica (ncbitaxon:3750) exocarp (BTO:0000733) MetaboLights (MTBLS2384) Strain: Malus x domestica Borkh. cv. Ruixue
ChEBI Ontology
Outgoing Relation(s)
2,3,6-Trimethylphenol (CHEBI:169180) is a hydroxytoluene (CHEBI:24751)
IUPAC Name 
2,3,6-trimethylphenol
Manual XrefsDatabases
HMDB0029667HMDB
16119ChemSpider
Registry NumbersSources
CAS:2416-94-6ChemIDplus