CHEBI:86587 - 4-acetoxy-3,5-dimethoxy-trans-cinnamaldehyde

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ChEBI Name 4-acetoxy-3,5-dimethoxy-trans-cinnamaldehyde ChEBI ID CHEBI:86587 ChEBI ASCII Name 4-acetoxy-3,5-dimethoxy-trans-cinnamaldehyde Definition An acetate ester obtained by the formal condensation of hydroxy group of sinapoyl aldehyde 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 C13H14O5 Net Charge 0 Average Mass 250.24730 Monoisotopic Mass 250.08412 InChI InChI=1S/C13H14O5/c1-9(15)18-13-11(16-2)7-10(5-4-6-14)8-12(13)17-3/h4-8H,1-3H3/b5-4+ InChIKey ZUJSHYQIANYKJH-SNAWJCMRSA-N SMILES COc1cc(\C=C\C=O)cc(OC)c1OC(C)=O ChEBI Ontology Outgoing 4-acetoxy-3,5-dimethoxy-trans-cinnamaldehyde (CHEBI:86587) has functional parent (E)-sinapaldehyde (CHEBI:27949) 4-acetoxy-3,5-dimethoxy-trans-cinnamaldehyde (CHEBI:86587) is a cinnamaldehydes (CHEBI:23245) 4-acetoxy-3,5-dimethoxy-trans-cinnamaldehyde (CHEBI:86587) is a dimethoxybenzene (CHEBI:51681) 4-acetoxy-3,5-dimethoxy-trans-cinnamaldehyde (CHEBI:86587) is a phenyl acetates (CHEBI:140310) IUPAC Name 2,6-dimethoxy-4-[(1E)-3-oxoprop-1-en-1-yl]phenyl acetate Synonym Source acetylated sinapaldehyde ChEBI Registry Number Type Source 2136972 Reaxys Registry Number Reaxys Last Modified 03 April 2018