Mrv0541 11201312182D          

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M  END
> <ID>
CHEBI:67378

> <NAME>
N-trans-feruloyl-4'-O-methyldopamine

> <DEFINITION>
A member of the class of cinnamamides that is an enamide obtained by the formal condensation of ferulic acid with 4ʼ-O-methyldopamine. It has been isolated from  Pisonia aculeata.

> <STAR>
3

> <IUPAC_NAME>
(2E)-3-(4-hydroxy-3-methoxyphenyl)-N-[2-(3-hydroxy-4-methoxyphenyl)ethyl]prop-2-enamide

> <FORMULA>
C19H21NO5

> <MASS>
343.37370

> <MONOISOTOPIC_MASS>
343.14197

> <CHARGE>
0

> <SMILES>
COc1ccc(CCNC(=O)\C=C\c2ccc(O)c(OC)c2)cc1O

> <INCHI>
InChI=1S/C19H21NO5/c1-24-17-7-4-14(11-16(17)22)9-10-20-19(23)8-5-13-3-6-15(21)18(12-13)25-2/h3-8,11-12,21-22H,9-10H2,1-2H3,(H,20,23)/b8-5+

> <INCHIKEY>
ACSWAJLDOHJFNA-VMPITWQZSA-N

> <REAXYS_REGISTRY_NUMBER>
6982431

> <PUBMED_CITATION>
17275293; 21542597; 22007946

$$$$