CHEBI:169767 - 4-Hydroxyatomoxetine

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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 4-Hydroxyatomoxetine
ChEBI ID CHEBI:169767
Stars This entity has been manually annotated by a third party.
Submitter MetaboLights
Supplier Information
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Formula C17H21NO2
Net Charge 0
Average Mass 271.360
Monoisotopic Mass 271.15723
InChI InChI=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
InChIKey PPXQPRLGNSJNJM-QGZVFWFLSA-N
SMILES O([C@H](CCNC)C1=CC=CC=C1)C2=C(C=C(O)C=C2)C
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 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 Xrefs Databases
7992660 ChemSpider
HMDB0060766 HMDB
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Registry Number Type Source
435293-66-6 CAS Registry Number ChemIDplus