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CHEBI:470 - 1'-acetoxyeugenol acetate

ChEBI IDCHEBI:470
ChEBI Name1'-acetoxyeugenol acetate
Stars
DefinitionAn acetate ester that is eugenol acetate substituted by an acetoxy group at position 1.
Last Modified30 January 2015
DownloadsMolfile
FormulaC14H16O5
Net Charge0
Average Mass264.277
Monoisotopic Mass264.09977
SMILESC=C[C@H](OC(C)=O)c1ccc(OC(C)=O)c(OC)c1
InChIInChI=1S/C14H16O5/c1-5-12(18-9(2)15)11-6-7-13(19-10(3)16)14(8-11)17-4/h5-8,12H,1H2,2-4H3/t12-/m0/s1
InChIKeyNKRBAUXTIWONOV-LBPRGKRZSA-N
Roles Classification
Biological Role:
plant metabolite  Any eukaryotic metabolite produced during a metabolic reaction in plants, the kingdom that include flowering plants, conifers and other gymnosperms.
ChEBI Ontology
Outgoing Relation(s)
1'-acetoxyeugenol acetate (CHEBI:470) has functional parent eugenol (CHEBI:4917)
1'-acetoxyeugenol acetate (CHEBI:470) has role plant metabolite (CHEBI:76924)
1'-acetoxyeugenol acetate (CHEBI:470) is a acetate ester (CHEBI:47622)
1'-acetoxyeugenol acetate (CHEBI:470) is a monomethoxybenzene (CHEBI:25235)
1'-acetoxyeugenol acetate (CHEBI:470) is a phenylpropanoid (CHEBI:26004)
IUPAC Name 
(1S)-1-[4-(acetyloxy)-3-methoxyphenyl]prop-2-en-1-yl acetate
Synonyms  Source
1'-Acetoxyeugenol acetateKEGG COMPOUND
4-(Acetyloxy)-alpha-ethenyl-3-methoxybenzenemethanol acetateChemIDplus
Manual XrefsDatabases
C10427KEGG COMPOUND
C00002712KNApSAcK
Registry NumbersSources
Reaxys:5752581Reaxys
CAS:53890-24-7KEGG COMPOUND
CAS:53890-24-7ChemIDplus
Citations