N,N,O-Tridesmethyltramadol (CHEBI:168076)

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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	N,N,O-Tridesmethyltramadol

ChEBI ID	CHEBI:168076

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

Submitter	MetaboLights

Supplier Information

Download	Molfile XML SDF

Formula

C13H19NO2

Net Charge

Average Mass

221.300

Monoisotopic Mass

221.14158

InChI

InChI=1S/C13H19NO2/c14-9-11-4-1-2-7-13(11,16)10-5-3-6-12(15)8-10/h3,5-6,8,11,15-16H,1-2,4,7,9,14H2/t11-,13+/m1/s1

InChIKey

MJTYLDGVLFSXDG-YPMHNXCESA-N

SMILES

O[C@]1([C@H](CCCC1)CN)C2=CC(O)=CC=C2

Metabolite of Species	Details
Malus domestica (NCBI:txid3750)	Found in exocarp (BTO:0000733). of strain Malus x domestica Borkh. cv. Ruixue See: MetaboLights Study

ChEBI Ontology
Outgoing	N,N,O-Tridesmethyltramadol (CHEBI:168076) is a alkylbenzene (CHEBI:38976) N,N,O-Tridesmethyltramadol (CHEBI:168076) is a ring assembly (CHEBI:36820)

IUPAC Name

3-[(1R,2R)-2-(aminomethyl)-1-hydroxycyclohexyl]phenol