CHEBI:172038 - 4-Hydroxy-alprenolol

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ChEBI Name 4-Hydroxy-alprenolol
ChEBI ID CHEBI:172038
Stars This entity has been manually annotated by a third party.
Submitter MetaboLights
Supplier Information
Download Molfile XML SDF
Formula C15H23NO3
Net Charge 0
Average Mass 265.353
Monoisotopic Mass 265.16779
InChI InChI=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
InChIKey HNXRWPIZRBNFDD-UHFFFAOYSA-N
SMILES O(CC(O)CNC(C)C)C1=C(CC=C)C=C(O)C=C1
Metabolite of Species Details
Homo sapiens (NCBI:txid9606) Found in blood plasma (BTO:0000131). of strain [] See: MetaboLights Study
Homo sapiens (NCBI:txid9606) Found in Pooled sample (NCIT:C45910). of strain [] See: MetaboLights Study
ChEBI Ontology
Outgoing 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 Xrefs Databases
149778 ChemSpider
HMDB0061122 HMDB
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Registry Number Type Source
54175-82-5 CAS Registry Number ChemIDplus