CHEBI:173687 - N,O-Didesmethyltramadol

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ChEBI Name N,O-Didesmethyltramadol
ChEBI ID CHEBI:173687
Stars This entity has been manually annotated by a third party.
Submitter MetaboLights
Supplier Information
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Formula C14H21NO2
Net Charge 0
Average Mass 235.327
Monoisotopic Mass 235.15723
InChI InChI=1S/C14H21NO2/c1-15-10-12-5-2-3-8-14(12,17)11-6-4-7-13(16)9-11/h4,6-7,9,12,15-17H,2-3,5,8,10H2,1H3/t12-,14+/m1/s1
InChIKey CJXNQQLTDXASSR-OCCSQVGLSA-N
SMILES O[C@]1([C@H](CCCC1)CNC)C2=CC(O)=CC=C2
ChEBI Ontology
Outgoing N,O-Didesmethyltramadol (CHEBI:173687) is a alkylbenzene (CHEBI:38976)
N,O-Didesmethyltramadol (CHEBI:173687) is a ring assembly (CHEBI:36820)
IUPAC Name
3-[(1R,2R)-1-hydroxy-2-(methylaminomethyl)cyclohexyl]phenol
Manual Xrefs Databases
7991856 ChemSpider
HMDB0060851 HMDB
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Registry Number Type Source
138853-73-3 CAS Registry Number ChemIDplus