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CHEBI:191423 - A 922500

ChEBI IDCHEBI:191423
ChEBI NameA 922500
Stars
SubmitterMetaboLights
DownloadsMolfile
FormulaC26H24N2O4
Net Charge0
Average Mass428.488
Monoisotopic Mass428.17361
SMILESO=C(Nc1ccccc1)Nc1ccc(-c2ccc(C(=O)[C@@H]3CCC[C@H]3C(=O)O)cc2)cc1
InChIInChI=1S/C26H24N2O4/c29-24(22-7-4-8-23(22)25(30)31)19-11-9-17(10-12-19)18-13-15-21(16-14-18)28-26(32)27-20-5-2-1-3-6-20/h1-3,5-6,9-16,22-23H,4,7-8H2,(H,30,31)(H2,27,28,32)/t22-,23-/m1/s1
InChIKeyBOZRFEQDOFSZBV-DHIUTWEWSA-N
Species of MetaboliteComponentSourceComments
Solanum tuberosum (ncbitaxon:4113) leaf (BTO:0000713) MetaboLights (MTBLS4365)
ChEBI Ontology
Outgoing Relation(s)
A 922500 (CHEBI:191423) is a aromatic ketone (CHEBI:76224)
IUPAC Name 
(1R,2R)-2-[4-[4-(phenylcarbamoylamino)phenyl]benzoyl]cyclopentane-1-carboxylic acid
Manual XrefsDatabases
23309907ChemSpider
Registry NumbersSources
CAS:959122-11-3ChemIDplus