Tramadol N-Oxide (CHEBI:228428)

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This entity has been annotated by a third party. If you would like more information added to this entry, please contact ChEBI via email or GitHub.

ChEBI Name	Tramadol N-Oxide

ChEBI ID	CHEBI:228428

Stars	This entity has been manually annotated by a third party.

Submitter	MetaboLights

Supplier Information

Download	Molfile XML SDF

Formula

C16H25NO3

Net Charge

Average Mass

279.380

Monoisotopic Mass

279.18344

InChI

InChI=1S/C16H25NO3/c1-17(2,19)12-14-7-4-5-10-16(14,18)13-8-6-9-15(11-13)20-3/h6,8-9,11,14,18H,4-5,7,10,12H2,1-3H3/t14-,16+/m1/s1

InChIKey

HBXKSXMNNGHBEA-ZBFHGGJFSA-N

SMILES

O[C@]1([C@H](CCCC1)C[N+]([O-])(C)C)C2=CC(OC)=CC=C2

Metabolite of Species	Details
Zea mays (NCBI:txid4577)	Found in exometabolome See: MetaboLights Study
Homo sapiens (NCBI:txid9606)	Found in urine (BTO:0001419). See: MetaboLights Study

ChEBI Ontology
Outgoing	Tramadol N-Oxide (CHEBI:228428) is a methoxybenzenes (CHEBI:51683)

IUPAC Name

1-[(1R,2R)-2-hydroxy-2-(3-methoxyphenyl)cyclohexyl]-N,N-dimethylmethanamine oxide