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CHEBI:229861 - vibunazole

ChEBI IDCHEBI:229861
ChEBI Namevibunazole
Stars
SubmitterMetaboLights
DownloadsMolfile
FormulaC15H20ClN3O2
Net Charge0
Average Mass309.797
Monoisotopic Mass309.12440
SMILESCC(C)(C)C(O)(COc1ccc(Cl)cc1)Cn1cncn1
InChIInChI=1S/C15H20ClN3O2/c1-14(2,3)15(20,8-19-11-17-10-18-19)9-21-13-6-4-12(16)5-7-13/h4-7,10-11,20H,8-9H2,1-3H3
InChIKeyOCQPZTCGZAFWSG-UHFFFAOYSA-N
Species of MetaboliteComponentSourceComments
Homo sapiens (ncbitaxon:9606) feces (BTO:0000440) MetaboLights (MTBLS9087)
ChEBI Ontology
Outgoing Relation(s)
vibunazole (CHEBI:229861) is a aromatic ether (CHEBI:35618)
IUPAC Name 
1-(4-chlorophenoxy)-3,3-dimethyl-2-(1,2,4-triazol-1-ylmethyl)butan-2-ol
Manual XrefsDatabases
HMDB0259802HMDB
110253ChemSpider
D02585KEGG DRUG