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CHEBI:186075 - Carboxyterbinafine

ChEBI IDCHEBI:186075
ChEBI NameCarboxyterbinafine
Stars
SubmitterMetaboLights
DownloadsMolfile
FormulaC21H23NO2
Net Charge0
Average Mass321.420
Monoisotopic Mass321.17288
SMILESCN(C/C=C/C#CC(C)(C)C(=O)O)Cc1cccc2ccccc12
InChIInChI=1S/C21H23NO2/c1-21(2,20(23)24)14-7-4-8-15-22(3)16-18-12-9-11-17-10-5-6-13-19(17)18/h4-6,8-13H,15-16H2,1-3H3,(H,23,24)/b8-4+
InChIKeyDSPCPJFHUUUMEV-XBXARRHUSA-N
Species of MetaboliteComponentSourceComments
Mus musculus (ncbitaxon:10090) feces (BTO:0000440) MetaboLights (MTBLS3750) Strain: C57BL/6 Mouse [NCIT:C14424]
ChEBI Ontology
Outgoing Relation(s)
Carboxyterbinafine (CHEBI:186075) is a naphthalenes (CHEBI:25477)
IUPAC Name 
(E)-2,2-dimethyl-7-[methyl(naphthalen-1-ylmethyl)amino]hept-5-en-3-ynoic acid
Manual XrefsDatabases
4947262ChemSpider
Registry NumbersSources
CAS:99473-14-0ChemIDplus