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CHEBI:86598 - coniferyl benzoate

ChEBI IDCHEBI:86598
ChEBI Nameconiferyl benzoate
Stars
DefinitionA benzoate ester obtained by the formal condensation of coniferol with benzoic acid.
Last Modified7 April 2017
DownloadsMolfile
FormulaC17H16O4
Net Charge0
Average Mass284.311
Monoisotopic Mass284.10486
SMILESCOc1cc(/C=C/COC(=O)c2ccccc2)ccc1O
InChIInChI=1S/C17H16O4/c1-20-16-12-13(9-10-15(16)18)6-5-11-21-17(19)14-7-3-2-4-8-14/h2-10,12,18H,11H2,1H3/b6-5+
InChIKeyLAAPRQODJPXAHC-AATRIKPKSA-N
Species of MetaboliteComponentSourceComments
Populus tremuloides (ncbitaxon:3693) - PubMed (24248582)
Roles Classification
Biological Roles:
plant metabolite  Any eukaryotic metabolite produced during a metabolic reaction in plants, the kingdom that include flowering plants, conifers and other gymnosperms.
allelochemical  A class of secondary metabolites developed by many plants to influence the behaviour, growth or survival of herbivores, and thus acting as a defence against herbivory.
Application:
antifeedant  A substance that prevents pests from feeding.
ChEBI Ontology
Outgoing Relation(s)
coniferyl benzoate (CHEBI:86598) has functional parent coniferol (CHEBI:17745)
coniferyl benzoate (CHEBI:86598) has role allelochemical (CHEBI:62215)
coniferyl benzoate (CHEBI:86598) has role antifeedant (CHEBI:22583)
coniferyl benzoate (CHEBI:86598) has role plant metabolite (CHEBI:76924)
coniferyl benzoate (CHEBI:86598) is a benzoate ester (CHEBI:36054)
coniferyl benzoate (CHEBI:86598) is a guaiacols (CHEBI:134251)
IUPAC Name 
(2E)-3-(4-hydroxy-3-methoxyphenyl)prop-2-en-1-yl benzoate
Registry NumbersSources
Reaxys:3146188Reaxys
Citations