CHEBI:6856 - methyl caffeate

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ChEBI Name methyl caffeate ChEBI ID CHEBI:6856 Definition An alkyl caffeate ester formed by the formal condensation of caffeic acid with methyl alcohol. Stars This entity has been manually annotated by the ChEBI Team. Supplier Information Download Molfile XML SDF Find compounds which contain this structure Find compounds which resemble this structure Take structure to the Advanced Search Wikipedia License Read full article at Wikipedia Formula C10H10O4 Net Charge 0 Average Mass 194.18400 Monoisotopic Mass 194.05791 InChI InChI=1S/C10H10O4/c1-14-10(13)5-3-7-2-4-8(11)9(12)6-7/h2-6,11-12H,1H3/b5-3+ InChIKey OCNYGKNIVPVPPX-HWKANZROSA-N SMILES COC(=O)\C=C\c1ccc(O)c(O)c1 ChEBI Ontology Outgoing methyl caffeate (CHEBI:6856) is a alkyl caffeate ester (CHEBI:65331) methyl caffeate (CHEBI:6856) is a methyl ester (CHEBI:25248) IUPAC Name methyl (2E)-3-(3,4-dihydroxyphenyl)prop-2-enoate Synonyms Sources Caffeic acid, methyl ester ChemIDplus Methyl caffeate KEGG COMPOUND Manual Xrefs Databases C00002759 KNApSAcK C10477 KEGG COMPOUND Methyl_caffeate Wikipedia View more database links Registry Numbers Types Sources 2938303 Reaxys Registry Number Reaxys 3843-74-1 CAS Registry Number ChemIDplus Citation Type Source 21963451 PubMed citation Europe PMC Last Modified 05 July 2016