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

ChEBI IDCHEBI:86587
ChEBI Name4-acetoxy-3,5-dimethoxy-trans-cinnamaldehyde
Stars
ASCII Name4-acetoxy-3,5-dimethoxy-trans-cinnamaldehyde
DefinitionAn acetate ester obtained by the formal condensation of hydroxy group of sinapoyl aldehyde with acetic acid.
Last Modified3 April 2018
DownloadsMolfile
FormulaC13H14O5
Net Charge0
Average Mass250.250
Monoisotopic Mass250.08412
SMILES[H]C(=O)/C=C/c1cc(OC)c(OC(C)=O)c(OC)c1
InChIInChI=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+
InChIKeyZUJSHYQIANYKJH-SNAWJCMRSA-N
ChEBI Ontology
Outgoing Relation(s)
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 sinapaldehydeChEBI
Registry NumbersSources
Reaxys:2136972Reaxys