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CHEBI:228499 - isobutyl 1-cyclohexyl-4-oxo-1,4-dihydroquinoline-3-carboxylate

ChEBI IDCHEBI:228499
ChEBI Nameisobutyl 1-cyclohexyl-4-oxo-1,4-dihydroquinoline-3-carboxylate
Stars
SubmitterMetaboLights
DownloadsMolfile
FormulaC20H25NO3
Net Charge0
Average Mass327.424
Monoisotopic Mass327.18344
SMILESCC(C)COC(=O)c1cn(C2CCCCC2)c2ccccc2c1=O
InChIInChI=1S/C20H25NO3/c1-14(2)13-24-20(23)17-12-21(15-8-4-3-5-9-15)18-11-7-6-10-16(18)19(17)22/h6-7,10-12,14-15H,3-5,8-9,13H2,1-2H3
InChIKeyPVEFVHNWLWRACO-UHFFFAOYSA-N
Species of MetaboliteComponentSourceComments
Homo sapiens (ncbitaxon:9606) urine (BTO:0001419) MetaboLights (MTBLS8662)
ChEBI Ontology
Outgoing Relation(s)
isobutyl 1-cyclohexyl-4-oxo-1,4-dihydroquinoline-3-carboxylate (CHEBI:228499) is a quinolines (CHEBI:26513)
IUPAC Name 
2-methylpropyl 1-cyclohexyl-4-oxoquinoline-3-carboxylate
Manual XrefsDatabases
2010201ChemSpider