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CHEBI:190608 - 3-(1,3-benzoxazol-2-ylthio)-5,5-dimethylcyclohex-2-en-1-one

ChEBI IDCHEBI:190608
ChEBI Name3-(1,3-benzoxazol-2-ylthio)-5,5-dimethylcyclohex-2-en-1-one
Stars
SubmitterMetaboLights
DownloadsMolfile
FormulaC15H15NO2S
Net Charge0
Average Mass273.357
Monoisotopic Mass273.08235
SMILESCC1(C)CC(=O)C=C(Sc2nc3ccccc3o2)C1
InChIInChI=1S/C15H15NO2S/c1-15(2)8-10(17)7-11(9-15)19-14-16-12-5-3-4-6-13(12)18-14/h3-7H,8-9H2,1-2H3
InChIKeyIXNJYCJHWQGZIN-UHFFFAOYSA-N
Species of MetaboliteComponentSourceComments
Rattus norvegicus (ncbitaxon:10116) liver (BTO:0000759) MetaboLights (MTBLS4163)
ChEBI Ontology
Outgoing Relation(s)
3-(1,3-benzoxazol-2-ylthio)-5,5-dimethylcyclohex-2-en-1-one (CHEBI:190608) is a benzoxazole (CHEBI:46700)
IUPAC Name 
3-(1,3-benzoxazol-2-ylsulanyl)-5,5-dimethylcyclohex-2-en-1-one
Manual XrefsDatabases
2095661ChemSpider