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CHEBI:168076 - N,N,O-Tridesmethyltramadol

ChEBI IDCHEBI:168076
ChEBI NameN,N,O-Tridesmethyltramadol
Stars
SubmitterMetaboLights
DownloadsMolfile
FormulaC13H19NO2
Net Charge0
Average Mass221.300
Monoisotopic Mass221.14158
SMILESNC[C@H]1CCCC[C@]1(O)c1cccc(O)c1
InChIInChI=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
InChIKeyMJTYLDGVLFSXDG-YPMHNXCESA-N
Species of MetaboliteComponentSourceComments
Malus domestica (ncbitaxon:3750) exocarp (BTO:0000733) MetaboLights (MTBLS2384) Strain: Malus x domestica Borkh. cv. Ruixue
ChEBI Ontology
Outgoing Relation(s)
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
Manual XrefsDatabases
HMDB0060850HMDB
8395599ChemSpider