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CHEBI:169631 - 2,4-Diisopropyl-5-methylphenol

ChEBI IDCHEBI:169631
ChEBI Name2,4-Diisopropyl-5-methylphenol
Stars
SubmitterMetaboLights
DownloadsMolfile
FormulaC13H20O
Net Charge0
Average Mass192.302
Monoisotopic Mass192.15142
SMILESCc1cc(O)c(C(C)C)cc1C(C)C
InChIInChI=1S/C13H20O/c1-8(2)11-7-12(9(3)4)13(14)6-10(11)5/h6-9,14H,1-5H3
InChIKeyNNSNIMZGXLISCO-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)
2,4-Diisopropyl-5-methylphenol (CHEBI:169631) is a monoterpenoid (CHEBI:25409)
IUPAC Name 
5-methyl-2,4-di(propan-2-yl)phenol
Manual XrefsDatabases
460014ChemSpider
HMDB0029823HMDB
Registry NumbersSources
CAS:40625-96-5ChemIDplus