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CHEBI:47905 - coniferyl acetate

Default Structure
ChEBI IDCHEBI:47905
ChEBI Nameconiferyl acetate
Stars
DefinitionAn acetate ester obtained via formal condensation of the allylic hydroxy function of coniferol with acetic acid.
Last Modified7 July 2020
SubmitterKirill Degtyarenko
DownloadsMolfile
FormulaC12H14O4
Net Charge0
Average Mass222.240
Monoisotopic Mass222.08921
SMILESCOc1cc(/C=C/COC(C)=O)ccc1O
InChIInChI=1S/C12H14O4/c1-9(13)16-7-3-4-10-5-6-11(14)12(8-10)15-2/h3-6,8,14H,7H2,1-2H3/b4-3+
InChIKeyXLZFUNZRKIQHOL-ONEGZZNKSA-N
ChEBI Ontology
Outgoing Relation(s)
coniferyl acetate (CHEBI:47905) has functional parent coniferol (CHEBI:17745)
coniferyl acetate (CHEBI:47905) is a acetate ester (CHEBI:47622)
coniferyl acetate (CHEBI:47905) is a coniferyl ester (CHEBI:64292)
coniferyl acetate (CHEBI:47905) is a phenols (CHEBI:33853)
IUPAC Name 
(2E)-3-(4-hydroxy-3-methoxyphenyl)prop-2-en-1-yl acetate
Synonym  Source
coniferyl-9-O-acetateChEBI
UniProt Name  Source
(E)-coniferyl acetateUniProt
Manual XrefsDatabases
CPD-9875MetaCyc
DE3211773Patent
Registry NumbersSources
Reaxys:5433401Reaxys
Citations