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CHEBI:230916 - Trapencaine

ChEBI IDCHEBI:230916
ChEBI NameTrapencaine
Stars
SubmitterMetaboLights
DownloadsMolfile
FormulaC22H34N2O3
Net Charge0
Average Mass374.525
Monoisotopic Mass374.25694
SMILESCCCCCOc1cccc(NC(=O)O[C@@H]2CCCC[C@H]2N2CCCC2)c1
InChIInChI=1S/C22H34N2O3/c1-2-3-8-16-26-19-11-9-10-18(17-19)23-22(25)27-21-13-5-4-12-20(21)24-14-6-7-15-24/h9-11,17,20-21H,2-8,12-16H2,1H3,(H,23,25)/t20-,21-/m1/s1
InChIKeyHVYGHQWGUABUST-NHCUHLMSSA-N
Species of MetaboliteComponentSourceComments
Mus musculus (ncbitaxon:10090) feces (BTO:0000440) MetaboLights (MTBLS9100)
ChEBI Ontology
Outgoing Relation(s)
Trapencaine (CHEBI:230916) is a aromatic ether (CHEBI:35618)
IUPAC Name 
[(1R,2R)-2-pyrrolidin-1-ylcyclohexyl] N-(3-pentoxyphenyl)carbamate
Manual XrefsDatabases
97228ChemSpider