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CHEBI:182818 - Ethylbenzoylecgonine

ChEBI IDCHEBI:182818
ChEBI NameEthylbenzoylecgonine
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SubmitterMetaboLights
DownloadsMolfile
FormulaC18H23NO4
Net Charge0
Average Mass317.385
Monoisotopic Mass317.16271
SMILESCCOC(=O)C1C(OC(=O)c2ccccc2)CC2CCC1N2C
InChIInChI=1S/C18H23NO4/c1-3-22-18(21)16-14-10-9-13(19(14)2)11-15(16)23-17(20)12-7-5-4-6-8-12/h4-8,13-16H,3,9-11H2,1-2H3
InChIKeyNMPOSNRHZIWLLL-UHFFFAOYSA-N
ChEBI Ontology
Outgoing Relation(s)
Ethylbenzoylecgonine (CHEBI:182818) is a benzoate ester (CHEBI:36054)
IUPAC Name 
ethyl 3-benzoyloxy-8-methyl-8-azabicyclo[3.2.1]octane-2-carboxylate
Manual XrefsDatabases
2723ChemSpider
HMDB0041860HMDB