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CHEBI:171897 - 5-hydroxypropafenone

ChEBI IDCHEBI:171897
ChEBI Name5-hydroxypropafenone
Stars
SubmitterMetaboLights
DownloadsMolfile
FormulaC21H27NO4
Net Charge0
Average Mass357.450
Monoisotopic Mass357.19401
SMILESCCCNCC(O)COc1ccc(O)cc1C(=O)CCc1ccccc1
InChIInChI=1S/C21H27NO4/c1-2-12-22-14-18(24)15-26-21-11-9-17(23)13-19(21)20(25)10-8-16-6-4-3-5-7-16/h3-7,9,11,13,18,22-24H,2,8,10,12,14-15H2,1H3
InChIKeyLUTWDNUXHDYZRA-UHFFFAOYSA-N
Species of MetaboliteComponentSourceComments
Homo sapiens (ncbitaxon:9606)
blood plasma (BTO:0000131) MetaboLights (MTBLS2128)
Pooled sample (NCIT:C45910) MetaboLights (MTBLS2128)
ChEBI Ontology
Outgoing Relation(s)
5-hydroxypropafenone (CHEBI:171897) is a phenols (CHEBI:33853)
IUPAC Name 
1-[5-hydroxy-2-[2-hydroxy-3-(propylamino)propoxy]phenyl]-3-phenylpropan-1-one
Manual XrefsDatabases
HMDB0060988HMDB
97050ChemSpider
Registry NumbersSources
CAS:86384-10-3ChemIDplus