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> Main
CHEBI:47905 - coniferyl acetate
Main
ChEBI Ontology
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ChEBI Name
coniferyl acetate
ChEBI ID
CHEBI:47905
Definition
An acetate ester obtained via formal condensation of the allylic hydroxy function of coniferol with acetic acid.
Stars
This entity has been manually annotated by the ChEBI Team.
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Formula
C12H14O4
Net Charge
0
Average Mass
222.23716
Monoisotopic Mass
222.08921
InChI
InChI=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+
InChIKey
XLZFUNZRKIQHOL-ONEGZZNKSA-N
SMILES
COc1cc(\C=C\COC(C)=O)ccc1O
ChEBI Ontology
Outgoing
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
(2
E
)-3-(4-hydroxy-3-methoxyphenyl)prop-2-en-1-yl acetate
Synonyms
Sources
(
E
)-coniferyl acetate
UniProt
coniferyl-9-
O
-acetate
ChEBI
Manual Xrefs
Databases
CPD-9875
MetaCyc
DE3211773
Patent
View more database links
Registry Numbers
Types
Sources
5433401
Beilstein Registry Number
Beilstein
5433401
Reaxys Registry Number
Reaxys
Citations
Types
Sources
16782809
PubMed citation
Europe PMC
17241449
PubMed citation
Europe PMC
17912370
PubMed citation
Europe PMC
18208524
PubMed citation
Europe PMC
18987218
PubMed citation
Europe PMC
19222805
PubMed citation
Europe PMC
Last Modified
07 July 2020