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CHEBI:192733 - N-Hydroxynorcocaine

ChEBI IDCHEBI:192733
ChEBI NameN-Hydroxynorcocaine
Stars
SubmitterMetaboLights
DownloadsMolfile
FormulaC16H19NO5
Net Charge0
Average Mass305.330
Monoisotopic Mass305.12632
SMILES[H][C@@]12CCC(CC(OC(=O)c3ccccc3)C1C(=O)OC)N2O
InChIInChI=1S/C16H19NO5/c1-21-16(19)14-12-8-7-11(17(12)20)9-13(14)22-15(18)10-5-3-2-4-6-10/h2-6,11-14,20H,7-9H2,1H3/t11?,12-,13?,14?/m1/s1
InChIKeyNETRAGHALNKERF-DBBXXEFVSA-N
Species of MetaboliteComponentSourceComments
Macaca mulatta (ncbitaxon:9544)
serum (BTO:0001239) MetaboLights (MTBLS3388)
cerebrospinal fluid (BTO:0000237) MetaboLights (MTBLS3388)
ChEBI Ontology
Outgoing Relation(s)
N-Hydroxynorcocaine (CHEBI:192733) is a benzoate ester (CHEBI:36054)
IUPAC Name 
methyl (1R)-3-benzoyloxy-8-hydroxy-8-azabicyclo[3.2.1]octane-2-carboxylate
Manual XrefsDatabases
137159ChemSpider
Registry NumbersSources
CAS:72182-43-5ChemIDplus