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> Main
CHEBI:86583 - isoeugenol acetate
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ChEBI Ontology
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ChEBI Name
isoeugenol acetate
ChEBI ID
CHEBI:86583
Definition
A phenylpropanoid that is the acetate ester of
trans
-isoeugenol.
Stars
This entity has been manually annotated by the ChEBI Team.
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Formula
C12H14O3
Net Charge
0
Average Mass
206.23780
Monoisotopic Mass
206.09429
InChI
InChI=1S/C12H14O3/c1-4-5-10-6-7-11(15-9(2)13)12(8-10)14-3/h4-8H,1-3H3/b5-4+
InChIKey
IUSBVFZKQJGVEP-SNAWJCMRSA-N
SMILES
COc1cc(\C=C\C)ccc1OC(C)=O
ChEBI Ontology
Outgoing
isoeugenol acetate (
CHEBI:86583
)
has functional parent
trans
-isoeugenol (
CHEBI:50545
)
isoeugenol acetate (
CHEBI:86583
)
is a
monomethoxybenzene (
CHEBI:25235
)
isoeugenol acetate (
CHEBI:86583
)
is a
phenyl acetates (
CHEBI:140310
)
isoeugenol acetate (
CHEBI:86583
)
is a
phenylpropanoid (
CHEBI:26004
)
IUPAC Name
2-methoxy-4-[(1
E
)-prop-1-en-1-yl]phenyl acetate
Synonyms
Sources
(
E
)-isoeugenyl acetate
ChemIDplus
acetylated isoeugenol
ChEBI
trans
-Isoeugenol acetate
ChemIDplus
Registry Numbers
Types
Sources
2052335
Reaxys Registry Number
Reaxys
5912-87-8
CAS Registry Number
ChemIDplus
5912-87-8
CAS Registry Number
NIST Chemistry WebBook
Last Modified
03 April 2018