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CHEBI:177555 - arclofenin

ChEBI IDCHEBI:177555
ChEBI Namearclofenin
Stars
SubmitterMetaboLights
DownloadsMolfile
FormulaC19H17ClN2O6
Net Charge0
Average Mass404.806
Monoisotopic Mass404.07751
SMILESO=C(O)CN(CC(=O)O)CC(=O)Nc1ccc(Cl)cc1C(=O)c1ccccc1
InChIInChI=1S/C19H17ClN2O6/c20-13-6-7-15(14(8-13)19(28)12-4-2-1-3-5-12)21-16(23)9-22(10-17(24)25)11-18(26)27/h1-8H,9-11H2,(H,21,23)(H,24,25)(H,26,27)
InChIKeyMSDLMFOYXOFYBK-UHFFFAOYSA-N
Species of MetaboliteComponentSourceComments
Sus scrofa (ncbitaxon:9823) Sausage (ENVO:00002166) MetaboLights (MTBLS2871)
ChEBI Ontology
Outgoing Relation(s)
arclofenin (CHEBI:177555) is a benzophenones (CHEBI:22726)
IUPAC Name 
2-[[2-(2-benzoyl-4-chloroanilino)-2-oxoethyl]-(carboxymethyl)amino]acetic acid
Manual XrefsDatabases
145756ChemSpider
D02978KEGG DRUG
Registry NumbersSources
CAS:87071-16-7ChemIDplus