(2-{4-[3-(2-chloroethyl)-2,3-diphenyloxiran-2-yl]phenoxy}ethyl)dimethylamine (CHEBI:189877)

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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	(2-{4-[3-(2-chloroethyl)-2,3-diphenyloxiran-2-yl]phenoxy}ethyl)dimethylamine

ChEBI ID	CHEBI:189877

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

Submitter	MetaboLights

Supplier Information

Download	Molfile XML SDF

Formula

C26H28ClNO2

Net Charge

Average Mass

421.970

Monoisotopic Mass

421.18086

InChI

InChI=1S/C26H28ClNO2/c1-28(2)19-20-29-24-15-13-23(14-16-24)26(22-11-7-4-8-12-22)25(30-26,17-18-27)21-9-5-3-6-10-21/h3-16H,17-20H2,1-2H3

InChIKey

FKGRILOUOJJTDR-UHFFFAOYSA-N

SMILES

ClCCC1(OC1(C2=CC=C(OCCN(C)C)C=C2)C3=CC=CC=C3)C4=CC=CC=C4

Metabolite of Species	Details
marine plankton environmental sample (NCBI:txid632957)	Found in endometabolome See: MetaboLights Study

ChEBI Ontology
Outgoing	(2-{4-[3-(2-chloroethyl)-2,3-diphenyloxiran-2-yl]phenoxy}ethyl)dimethylamine (CHEBI:189877) is a stilbenoid (CHEBI:26776)

IUPAC Name

2-[4-[3-(2-chloroethyl)-2,3-diphenyloxiran-2-yl]phenoxy]-N,N-dimethylethanamine