CHEBI:86956 - vanillin acetate

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ChEBI Name vanillin acetate ChEBI ID CHEBI:86956 Definition A phenyl acetate obtained by the formal condensation of phenolic group of vanillin with acetic acid. 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 Formula C10H10O4 Net Charge 0 Average Mass 194.18400 Monoisotopic Mass 194.05791 InChI InChI=1S/C10H10O4/c1-7(12)14-9-4-3-8(6-11)5-10(9)13-2/h3-6H,1-2H3 InChIKey PZSJOBKRSVRODF-UHFFFAOYSA-N SMILES COc1cc(C=O)ccc1OC(C)=O ChEBI Ontology Outgoing vanillin acetate (CHEBI:86956) has functional parent vanillin (CHEBI:18346) vanillin acetate (CHEBI:86956) is a benzaldehydes (CHEBI:22698) vanillin acetate (CHEBI:86956) is a monomethoxybenzene (CHEBI:25235) vanillin acetate (CHEBI:86956) is a phenyl acetates (CHEBI:140310) IUPAC Name 4-formyl-2-methoxyphenyl acetate Synonyms Sources 4-(acetyloxy)-3-methoxybenzaldehyde ChemIDplus 4-O-acetylvanillin ChemIDplus acetylvanillin ChemIDplus Manual Xref Database HMDB0029663 HMDB View more database links Registry Numbers Types Sources 1963795 Reaxys Registry Number Reaxys 881-68-5 CAS Registry Number ChemIDplus Citations Types Sources 19783934 PubMed citation Europe PMC 25875042 PubMed citation Europe PMC Last Modified 03 April 2018