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ChEBI
> Main
CHEBI:69555 - egonolbutanoate
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ChEBI Ontology
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ChEBI Name
egonolbutanoate
ChEBI ID
CHEBI:69555
Definition
A butanoate 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
C23H24O6
Net Charge
0
Average Mass
396.43310
Monoisotopic Mass
396.15729
InChI
InChI=1S/C23H24O6/c1-
3-
5-
22(24)
26-
9-
4-
6-
15-
10-
17-
13-
19(29-
23(17)
21(11-
15)
25-
2)
16-
7-
8-
18-
20(12-
16)
28-
14-
27-
18/h7-
8,10-
13H,3-
6,9,14H2,1-
2H3
InChIKey
ZIUFRHWVDXFFEI-UHFFFAOYSA-N
SMILES
CCCC(=O)OCCCc1cc(OC)c2oc(cc2c1)-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.
View more via ChEBI Ontology
ChEBI Ontology
Outgoing
egonolbutanoate (
CHEBI:69555
)
has functional parent
egonol (
CHEBI:69558
)
egonolbutanoate (
CHEBI:69555
)
has parent hydride
1-benzofuran (
CHEBI:35260
)
egonolbutanoate (
CHEBI:69555
)
has role
plant metabolite (
CHEBI:76924
)
egonolbutanoate (
CHEBI:69555
)
is a
1-benzofurans (
CHEBI:38830
)
egonolbutanoate (
CHEBI:69555
)
is a
aromatic ether (
CHEBI:35618
)
egonolbutanoate (
CHEBI:69555
)
is a
benzodioxoles (
CHEBI:38298
)
egonolbutanoate (
CHEBI:69555
)
is a
butyrate ester (
CHEBI:50477
)
egonolbutanoate (
CHEBI:69555
)
is a
fatty acid ester (
CHEBI:35748
)
IUPAC Name
3-[2-(1,3-benzodioxol-5-yl)-7-methoxy-1-benzofuran-5-yl]propyl butanoate
Synonym
Source
5-(3-butanoyloxypropyl)-7-methoxy-2-(3,4-methylenedioxyphenyl)benzofuran
ChEBI
Registry Number
Type
Source
10384634
Reaxys Registry Number
Reaxys
Citation
Type
Source
21939219
PubMed citation
Europe PMC
Last Modified
09 January 2014