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CHEBI:175495 - Marmeline

ChEBI IDCHEBI:175495
ChEBI NameMarmeline
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SubmitterMetaboLights
DownloadsMolfile
FormulaC22H25NO3
Net Charge0
Average Mass351.446
Monoisotopic Mass351.18344
SMILESCC(C)=CCOc1ccc(C(O)CNC(=O)/C=C\c2ccccc2)cc1
InChIInChI=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-
InChIKeyAQBWTILJYRVPPH-JYRVWZFOSA-N
ChEBI Ontology
Outgoing Relation(s)
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
Manual XrefsDatabases
35013158ChemSpider
HMDB0030192HMDB