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ChEBI
> Main
CHEBI:86584 - methyl
p
-coumarate acetate
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ChEBI Name
methyl
p
-coumarate acetate
ChEBI ID
CHEBI:86584
ChEBI ASCII Name
methyl p-coumarate acetate
Definition
A phenyl acetate obtained by the formal condensation of the hydroxy group of
trans
-4-coumaric acid with acetic acid.
Stars
This entity has been manually annotated by the ChEBI Team.
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Formula
C12H12O4
Net Charge
0
Average Mass
220.22130
Monoisotopic Mass
220.07356
InChI
InChI=1S/C12H12O4/c1-9(13)16-11-6-3-10(4-7-11)5-8-12(14)15-2/h3-8H,1-2H3/b8-5+
InChIKey
IVNWLXAJTPUMJK-VMPITWQZSA-N
SMILES
COC(=O)\C=C\c1ccc(OC(C)=O)cc1
ChEBI Ontology
Outgoing
methyl
p
-coumarate acetate (
CHEBI:86584
)
has functional parent
trans
-4-coumaric acid (
CHEBI:32374
)
methyl
p
-coumarate acetate (
CHEBI:86584
)
is a
cinnamate ester (
CHEBI:36087
)
methyl
p
-coumarate acetate (
CHEBI:86584
)
is a
phenyl acetates (
CHEBI:140310
)
IUPAC Name
methyl (2
E
)-3-[4-(acetyloxy)phenyl]prop-2-enoate
Synonym
Source
acetylated methyl coumarate
ChEBI
Registry Number
Type
Source
2113751
Reaxys Registry Number
Reaxys
Last Modified
03 April 2018