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CHEBI:168939 - 4'-hydroxypropanolol

ChEBI IDCHEBI:168939
ChEBI Name4'-hydroxypropanolol
Stars
SubmitterMetaboLights
DownloadsMolfile
FormulaC16H21NO3
Net Charge0
Average Mass275.348
Monoisotopic Mass275.15214
SMILESCC(C)NCC(O)COc1ccc(O)c2ccccc12
InChIInChI=1S/C16H21NO3/c1-11(2)17-9-12(18)10-20-16-8-7-15(19)13-5-3-4-6-14(13)16/h3-8,11-12,17-19H,9-10H2,1-2H3
InChIKeyCWEPACWBWIOYID-UHFFFAOYSA-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'-hydroxypropanolol (CHEBI:168939) is a naphthols (CHEBI:25392)
IUPAC Name 
4-[2-hydroxy-3-(propan-2-ylamino)propoxy]naphthalen-1-ol
Manual XrefsDatabases
HMDB0060989HMDB
82678ChemSpider
Registry NumbersSources
CAS:10476-53-6ChemIDplus