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CHEBI:192626 - 4-(tert-butyl)phenyl 3,5-dimethylisoxazole-4-carboxylate

ChEBI IDCHEBI:192626
ChEBI Name4-(tert-butyl)phenyl 3,5-dimethylisoxazole-4-carboxylate
Stars
SubmitterMetaboLights
DownloadsMolfile
FormulaC16H19NO3
Net Charge0
Average Mass273.332
Monoisotopic Mass273.13649
SMILESCc1noc(C)c1C(=O)Oc1ccc(C(C)(C)C)cc1
InChIInChI=1S/C16H19NO3/c1-10-14(11(2)20-17-10)15(18)19-13-8-6-12(7-9-13)16(3,4)5/h6-9H,1-5H3
InChIKeyOHIIPCLMYSFBTK-UHFFFAOYSA-N
Species of MetaboliteComponentSourceComments
Valsa sordida (ncbitaxon:252740) Whole Organism (NCIT:C13413) MetaboLights (MTBLS4463)
ChEBI Ontology
Outgoing Relation(s)
4-(tert-butyl)phenyl 3,5-dimethylisoxazole-4-carboxylate (CHEBI:192626) is a benzoate ester (CHEBI:36054)
4-(tert-butyl)phenyl 3,5-dimethylisoxazole-4-carboxylate (CHEBI:192626) is a phenols (CHEBI:33853)
IUPAC Name 
(4-tert-butylphenyl) 3,5-dimethyl-1,2-oxazole-4-carboxylate
Manual XrefsDatabases
2023090ChemSpider