EMBL-EBI | Chemical Biology | ChEBI

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

CHEBI:188735 - 2,6-Diisopropyl-4-[3-(trifluoromethyl)-3H-diaziren-3-yl]phenol

ChEBI IDCHEBI:188735
ChEBI Name2,6-Diisopropyl-4-[3-(trifluoromethyl)-3H-diaziren-3-yl]phenol
Stars
SubmitterMetaboLights
DownloadsMolfile
FormulaC14H17F3N2O
Net Charge0
Average Mass286.297
Monoisotopic Mass286.12930
SMILESCC(C)c1cc(C2(C(F)(F)F)N=N2)cc(C(C)C)c1O
InChIInChI=1S/C14H17F3N2O/c1-7(2)10-5-9(6-11(8(3)4)12(10)20)13(18-19-13)14(15,16)17/h5-8,20H,1-4H3
InChIKeyLYVWPUIRHYGRBE-UHFFFAOYSA-N
Species of MetaboliteComponentSourceComments
Phyllostachys violascens (ncbitaxon:1903417) stem (BTO:0001300) MetaboLights (MTBLS3970) Strain: Phyllostachys violascens cv. Viridisulcata
ChEBI Ontology
Outgoing Relation(s)
2,6-Diisopropyl-4-[3-(trifluoromethyl)-3H-diaziren-3-yl]phenol (CHEBI:188735) is a alkylbenzene (CHEBI:38976)
IUPAC Name 
2,6-di(propan-2-yl)-4-[3-(triluoromethyl)diazirin-3-yl]phenol
Manual XrefsDatabases
29354086ChemSpider