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> Main
CHEBI:69556 - egonol acetate
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ChEBI Name
egonol acetate
ChEBI ID
CHEBI:69556
Definition
An acetate ester of egonol isolated from the fruits of
Styrax agrestis
.
Stars
This entity has been manually annotated by the ChEBI Team.
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Formula
C21H20O6
Net Charge
0
Average Mass
368.37990
Monoisotopic Mass
368.12599
InChI
InChI=1S/C21H20O6/c1-
13(22)
24-
7-
3-
4-
14-
8-
16-
11-
18(27-
21(16)
20(9-
14)
23-
2)
15-
5-
6-
17-
19(10-
15)
26-
12-
25-
17/h5-
6,8-
11H,3-
4,7,12H2,1-
2H3
InChIKey
KOUYRIXNPBTZIN-UHFFFAOYSA-N
SMILES
COc1cc(CCCOC(C)=O)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):
metabolite
Any intermediate or product resulting from metabolism. The term 'metabolite' subsumes the classes commonly known as primary and secondary metabolites.
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
egonol acetate (
CHEBI:69556
)
has functional parent
egonol (
CHEBI:69558
)
egonol acetate (
CHEBI:69556
)
has parent hydride
1-benzofuran (
CHEBI:35260
)
egonol acetate (
CHEBI:69556
)
has role
metabolite (
CHEBI:25212
)
egonol acetate (
CHEBI:69556
)
has role
plant metabolite (
CHEBI:76924
)
egonol acetate (
CHEBI:69556
)
is a
1-benzofurans (
CHEBI:38830
)
egonol acetate (
CHEBI:69556
)
is a
acetate ester (
CHEBI:47622
)
egonol acetate (
CHEBI:69556
)
is a
aromatic ether (
CHEBI:35618
)
egonol acetate (
CHEBI:69556
)
is a
benzodioxoles (
CHEBI:38298
)
Incoming
7-demethoxylegonol acetate (
CHEBI:69552
)
has functional parent
egonol acetate (
CHEBI:69556
)
IUPAC Name
3-[2-(1,3-benzodioxol-5-yl)-7-methoxy-1-benzofuran-5-yl]propyl acetate
Synonym
Source
5-(3ʼʼ-acetoxypropyl)-7-methoxy-2-(3ʼ,4ʼ-methylenedioxyphenyl)benzofuran
ChEBI
Registry Number
Type
Source
359824
Reaxys Registry Number
Reaxys
Citation
Type
Source
21939219
PubMed citation
Europe PMC
Last Modified
14 April 2015