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CHEBI:232400 - denatonium benzoate

Default Structure
ChEBI IDCHEBI:232400
ChEBI Namedenatonium benzoate
Stars
SubmitterFlyBase
DownloadsMolfile
FormulaC21H28N2O.C7H6O2
Net Charge0
Average Mass446.591
Monoisotopic Mass446.25694
SMILESCC[N+](CC)(C/C([O-])=N/c1c(C)cccc1C)Cc1ccccc1.O=C(O)c1ccccc1
InChIInChI=1S/C21H28N2O.C7H6O2/c1-5-23(6-2,15-19-13-8-7-9-14-19)16-20(24)22-21-17(3)11-10-12-18(21)4;8-7(9)6-4-2-1-3-5-6/h7-14H,5-6,15-16H2,1-4H3;1-5H,(H,8,9)
InChIKeyVWTINHYPRWEBQY-UHFFFAOYSA-N
Wikipedia
ChEBI Ontology
Outgoing Relation(s)
denatonium benzoate (CHEBI:232400) is a organic molecular entity (CHEBI:50860)
Manual XrefsDatabases
https://en.wikipedia.org/wiki/DenatoniumWikipedia
Registry NumbersSources
CAS:3734-33-6SUBMITTER
Citations