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CHEBI:172038 - 4-Hydroxy-alprenolol

ChEBI IDCHEBI:172038
ChEBI Name4-Hydroxy-alprenolol
Stars
SubmitterMetaboLights
DownloadsMolfile
FormulaC15H23NO3
Net Charge0
Average Mass265.353
Monoisotopic Mass265.16779
SMILESC=CCc1cc(O)ccc1OCC(O)CNC(C)C
InChIInChI=1S/C15H23NO3/c1-4-5-12-8-13(17)6-7-15(12)19-10-14(18)9-16-11(2)3/h4,6-8,11,14,16-18H,1,5,9-10H2,2-3H3
InChIKeyHNXRWPIZRBNFDD-UHFFFAOYSA-N
Species of MetaboliteComponentSourceComments
Homo sapiens (ncbitaxon:9606)
Pooled sample (NCIT:C45910) MetaboLights (MTBLS2128)
blood plasma (BTO:0000131) MetaboLights (MTBLS2128)
ChEBI Ontology
Outgoing Relation(s)
4-Hydroxy-alprenolol (CHEBI:172038) is a aromatic ether (CHEBI:35618)
4-Hydroxy-alprenolol (CHEBI:172038) is a phenols (CHEBI:33853)
IUPAC Name 
4-[2-hydroxy-3-(propan-2-ylamino)propoxy]-3-prop-2-enylphenol
Manual XrefsDatabases
149778ChemSpider
HMDB0061122HMDB
Registry NumbersSources
CAS:54175-82-5ChemIDplus