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CHEBI:169767 - 4-Hydroxyatomoxetine

ChEBI IDCHEBI:169767
ChEBI Name4-Hydroxyatomoxetine
Stars
SubmitterMetaboLights
DownloadsMolfile
FormulaC17H21NO2
Net Charge0
Average Mass271.360
Monoisotopic Mass271.15723
SMILESCNCC[C@@H](Oc1ccc(O)cc1C)c1ccccc1
InChIInChI=1S/C17H21NO2/c1-13-12-15(19)8-9-16(13)20-17(10-11-18-2)14-6-4-3-5-7-14/h3-9,12,17-19H,10-11H2,1-2H3/t17-/m1/s1
InChIKeyPPXQPRLGNSJNJM-QGZVFWFLSA-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)
4-Hydroxyatomoxetine (CHEBI:169767) is a aromatic ether (CHEBI:35618)
4-Hydroxyatomoxetine (CHEBI:169767) is a phenols (CHEBI:33853)
IUPAC Name 
3-methyl-4-[(1R)-3-(methylamino)-1-phenylpropoxy]phenol
Manual XrefsDatabases
7992660ChemSpider
HMDB0060766HMDB
Registry NumbersSources
CAS:435293-66-6ChemIDplus