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CHEBI:69554 - egonol-2-methylpropanoate
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ChEBI Name
egonol-2-methylpropanoate
ChEBI ID
CHEBI:69554
Definition
A fatty acid ester obtained by the formal condensation of egonol with isobutyric acid. It has been isolated from the fruits of
Styrax agrestis
.
Stars
This entity has been manually annotated by the ChEBI Team.
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Formula
C23H24O6
Net Charge
0
Average Mass
396.43310
Monoisotopic Mass
396.15729
InChI
InChI=1S/C23H24O6/c1-
14(2)
23(24)
26-
8-
4-
5-
15-
9-
17-
12-
19(29-
22(17)
21(10-
15)
25-
3)
16-
6-
7-
18-
20(11-
16)
28-
13-
27-
18/h6-
7,9-
12,14H,4-
5,8,13H2,1-
3H3
InChIKey
MOIMOJLRMXIUDV-UHFFFAOYSA-N
SMILES
COc1cc(CCCOC(=O)C(C)C)cc2cc(oc12)-c1ccc2OCOc2c1
Metabolite of Species
Details
Styrax agrestis
(NCBI:txid153522)
Found in ripe fruit
(PO:0007038)
. Dried, powdered fruits were extracted with ethylacetate. See:
PubMed
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.
metabolite
Any intermediate or product resulting from metabolism. The term 'metabolite' subsumes the classes commonly known as primary and secondary metabolites.
View more via ChEBI Ontology
ChEBI Ontology
Outgoing
egonol-2-methylpropanoate (
CHEBI:69554
)
has functional parent
egonol (
CHEBI:69558
)
egonol-2-methylpropanoate (
CHEBI:69554
)
has functional parent
isobutyric acid (
CHEBI:16135
)
egonol-2-methylpropanoate (
CHEBI:69554
)
has parent hydride
1-benzofuran (
CHEBI:35260
)
egonol-2-methylpropanoate (
CHEBI:69554
)
has role
metabolite (
CHEBI:25212
)
egonol-2-methylpropanoate (
CHEBI:69554
)
has role
plant metabolite (
CHEBI:76924
)
egonol-2-methylpropanoate (
CHEBI:69554
)
is a
1-benzofurans (
CHEBI:38830
)
egonol-2-methylpropanoate (
CHEBI:69554
)
is a
aromatic ether (
CHEBI:35618
)
egonol-2-methylpropanoate (
CHEBI:69554
)
is a
benzodioxoles (
CHEBI:38298
)
egonol-2-methylpropanoate (
CHEBI:69554
)
is a
fatty acid ester (
CHEBI:35748
)
IUPAC Name
3-[2-(1,3-benzodioxol-5-yl)-7-methoxy-1-benzofuran-5-yl]propyl 2-methylpropanoate
Registry Number
Type
Source
22007788
Reaxys Registry Number
Reaxys
Citation
Type
Source
21939219
PubMed citation
Europe PMC
Last Modified
02 December 2013