5-hydroxypropafenone (CHEBI:171897)

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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	5-hydroxypropafenone

ChEBI ID	CHEBI:171897

Stars	This entity has been manually annotated by a third party.

Submitter	MetaboLights

Supplier Information

Download	Molfile XML SDF

Formula

C21H27NO4

Net Charge

Average Mass

357.450

Monoisotopic Mass

357.19401

InChI

InChI=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

InChIKey

LUTWDNUXHDYZRA-UHFFFAOYSA-N

SMILES

O(CC(O)CNCCC)C1=C(C(=O)CCC2=CC=CC=C2)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	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

Registry Number	Type	Source
86384-10-3	CAS Registry Number	ChemIDplus