4-(dimethylamino)-3-hydroxy-3-methyl-1,2-diphenylbutan-2-yl propanoate (CHEBI:184221)

Main

ChEBI Ontology

Automatic Xrefs

Reactions

Pathways

Models

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	4-(dimethylamino)-3-hydroxy-3-methyl-1,2-diphenylbutan-2-yl propanoate

ChEBI ID	CHEBI:184221

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

Submitter	MetaboLights

Supplier Information

Download	Molfile XML SDF

Formula

C22H29NO3

Net Charge

Average Mass

355.478

Monoisotopic Mass

355.21474

InChI

InChI=1S/C22H29NO3/c1-5-20(24)26-22(19-14-10-7-11-15-19,21(2,25)17-23(3)4)16-18-12-8-6-9-13-18/h6-15,25H,5,16-17H2,1-4H3

InChIKey

KGQVWFGIDIZJTQ-UHFFFAOYSA-N

SMILES

O(C(C(O)(CN(C)C)C)(CC1=CC=CC=C1)C2=CC=CC=C2)C(=O)CC

Metabolite of Species	Details
Mus musculus (NCBI:txid10090)	Found in serum (BTO:0001239). See: MetaboLights Study

ChEBI Ontology
Outgoing	4-(dimethylamino)-3-hydroxy-3-methyl-1,2-diphenylbutan-2-yl propanoate (CHEBI:184221) is a stilbenoid (CHEBI:26776)

IUPAC Name

[4-(dimethylamino)-3-hydroxy-3-methyl-1,2-diphenylbutan-2-yl] propanoate