Marmeline (CHEBI:175495)

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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	Marmeline

ChEBI ID	CHEBI:175495

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

Submitter	MetaboLights

Supplier Information

Download	Molfile XML SDF

Formula

C22H25NO3

Net Charge

Average Mass

351.446

Monoisotopic Mass

351.18344

InChI

InChI=1S/C22H25NO3/c1-17(2)14-15-26-20-11-9-19(10-12-20)21(24)16-23-22(25)13-8-18-6-4-3-5-7-18/h3-14,21,24H,15-16H2,1-2H3,(H,23,25)/b13-8-

InChIKey

AQBWTILJYRVPPH-JYRVWZFOSA-N

SMILES

OC(C1=CC=C(OCC=C(C)C)C=C1)CNC(=O)/C=C\C2=CC=CC=C2

ChEBI Ontology
Outgoing	Marmeline (CHEBI:175495) is a aromatic ether (CHEBI:35618)

IUPAC Name

(Z)-N-[2-hydroxy-2-[4-(3-methylbut-2-enoxy)phenyl]ethyl]-3-phenylprop-2-enamide