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CHEBI:228733 - 2-{1-[2-(2-fluoro-4-iodoanilino)-2-oxoethyl]cyclohexyl}acetic acid

ChEBI IDCHEBI:228733
ChEBI Name2-{1-[2-(2-fluoro-4-iodoanilino)-2-oxoethyl]cyclohexyl}acetic acid
Stars
SubmitterMetaboLights
DownloadsMolfile
FormulaC16H19FINO3
Net Charge0
Average Mass419.234
Monoisotopic Mass419.03937
SMILESO=C(O)CC1(CC(=O)Nc2ccc(I)cc2F)CCCCC1
InChIInChI=1S/C16H19FINO3/c17-12-8-11(18)4-5-13(12)19-14(20)9-16(10-15(21)22)6-2-1-3-7-16/h4-5,8H,1-3,6-7,9-10H2,(H,19,20)(H,21,22)
InChIKeyFQYFJQCMMPCPNM-UHFFFAOYSA-N
Species of MetaboliteComponentSourceComments
Homo sapiens (ncbitaxon:9606) urine (BTO:0001419) MetaboLights (MTBLS8662)
ChEBI Ontology
Outgoing Relation(s)
2-{1-[2-(2-fluoro-4-iodoanilino)-2-oxoethyl]cyclohexyl}acetic acid (CHEBI:228733) is a organoiodine compound (CHEBI:37142)
IUPAC Name 
2-[1-[2-(2-luoro-4-iodoanilino)-2-oxoethyl]cyclohexyl]acetic acid
Manual XrefsDatabases
2104487ChemSpider