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CHEBI:230683 - 5-carboxy-lumiracoxib

Default Structure
ChEBI IDCHEBI:230683
ChEBI Name5-carboxy-lumiracoxib
Stars
SubmitterMetaboLights
DownloadsMolfile
FormulaC16H13ClFNO4
Net Charge0
Average Mass337.734
Monoisotopic Mass337.05171
SMILESCc1ccc(Nc2c(Cl)ccc(C(=O)O)c2F)c(CC(=O)O)c1
InChIInChI=1S/C16H13ClFNO4/c1-8-2-5-12(9(6-8)7-13(20)21)19-15-11(17)4-3-10(14(15)18)16(22)23/h2-6,19H,7H2,1H3,(H,20,21)(H,22,23)
InChIKeyDAMRUBXLPVLGQF-UHFFFAOYSA-N
Species of MetaboliteComponentSourceComments
Homo sapiens (ncbitaxon:9606) feces (BTO:0000440) MetaboLights (MTBLS9087)
ChEBI Ontology
Outgoing Relation(s)
5-carboxy-lumiracoxib (CHEBI:230683) is a organic molecular entity (CHEBI:50860)
IUPAC Name 
3-[2-(carboxymethyl)-4-methylanilino]-4-chloro-2-luorobenzoic acid
Manual XrefsDatabases
30778588ChemSpider
HMDB0060775HMDB