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> Main
CHEBI:470 - 1'-acetoxyeugenol acetate
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ChEBI Name
1'-acetoxyeugenol acetate
ChEBI ID
CHEBI:470
Definition
An acetate ester that is eugenol acetate substituted by an acetoxy group at position 1.
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This entity has been manually annotated by the ChEBI Team.
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Formula
C14H16O5
Net Charge
0
Average Mass
264.27384
Monoisotopic Mass
264.09977
InChI
InChI=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
InChIKey
NKRBAUXTIWONOV-LBPRGKRZSA-N
SMILES
COc1cc(ccc1OC(C)=O)[C@@H](OC(C)=O)C=C
Roles Classification
Biological Role
(s):
plant metabolite
Any eukaryotic metabolite produced during a metabolic reaction in plants, the kingdom that include flowering plants, conifers and other gymnosperms.
View more via ChEBI Ontology
ChEBI Ontology
Outgoing
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
(1
S
)-1-[4-(acetyloxy)-3-methoxyphenyl]prop-2-en-1-yl acetate
Synonyms
Sources
1'-Acetoxyeugenol acetate
KEGG COMPOUND
4-(Acetyloxy)-alpha-ethenyl-3-methoxybenzenemethanol acetate
ChemIDplus
Manual Xrefs
Databases
C00002712
KNApSAcK
C10427
KEGG COMPOUND
View more database links
Registry Numbers
Types
Sources
53890-24-7
CAS Registry Number
KEGG COMPOUND
53890-24-7
CAS Registry Number
ChemIDplus
5752581
Reaxys Registry Number
Reaxys
Citations
Types
Sources
23266278
PubMed citation
Europe PMC
25464007
PubMed citation
Europe PMC
Last Modified
30 January 2015