4-(dimethylamino)-1-(2-hydroxyphenyl)-3-methyl-2-phenylbutan-2-yl propanoate (CHEBI:187586)

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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	4-(dimethylamino)-1-(2-hydroxyphenyl)-3-methyl-2-phenylbutan-2-yl propanoate

ChEBI ID	CHEBI:187586

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

InChIKey

BITQQTVXMZTDLM-UHFFFAOYSA-N

SMILES

O(C(C(CN(C)C)C)(CC=1C(O)=CC=CC1)C2=CC=CC=C2)C(=O)CC

Metabolite of Species	Details
Mus musculus (NCBI:txid10090)	Found in feces (BTO:0000440). of strain C57BL/6 Mouse [NCIT:C14424] See: MetaboLights Study

ChEBI Ontology
Outgoing	4-(dimethylamino)-1-(2-hydroxyphenyl)-3-methyl-2-phenylbutan-2-yl propanoate (CHEBI:187586) is a stilbenoid (CHEBI:26776)

IUPAC Name

[4-(dimethylamino)-1-(2-hydroxyphenyl)-3-methyl-2-phenylbutan-2-yl] propanoate