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> Main
CHEBI:69550 - egonol-2ʼʼʼ-methyl butanoate
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ChEBI Name
egonol-2ʼʼʼ-methyl butanoate
ChEBI ID
CHEBI:69550
ChEBI ASCII Name
egonol-2'''-methyl butanoate
Definition
A fatty acid ester obtained by the formal condensation of (
S
)-2-methylbutyric acid with egonol. 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
C24H26O6
Net Charge
0
Average Mass
410.45960
Monoisotopic Mass
410.17294
InChI
InChI=1S/C24H26O6/c1-
4-
15(2)
24(25)
27-
9-
5-
6-
16-
10-
18-
13-
20(30-
23(18)
22(11-
16)
26-
3)
17-
7-
8-
19-
21(12-
17)
29-
14-
28-
19/h7-
8,10-
13,15H,4-
6,9,14H2,1-
3H3/t15-
/m0/s1
InChIKey
MGCSMWCSVJYFBV-HNNXBMFYSA-N
SMILES
CC[C@H](C)C(=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
Styrax obassia
(NCBI:txid153542)
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
egonol-2ʼʼʼ-methyl butanoate (
CHEBI:69550
)
has functional parent
(
S
)-2-methylbutyric acid (
CHEBI:38655
)
egonol-2ʼʼʼ-methyl butanoate (
CHEBI:69550
)
has functional parent
egonol (
CHEBI:69558
)
egonol-2ʼʼʼ-methyl butanoate (
CHEBI:69550
)
has parent hydride
1-benzofuran (
CHEBI:35260
)
egonol-2ʼʼʼ-methyl butanoate (
CHEBI:69550
)
has role
plant metabolite (
CHEBI:76924
)
egonol-2ʼʼʼ-methyl butanoate (
CHEBI:69550
)
is a
1-benzofurans (
CHEBI:38830
)
egonol-2ʼʼʼ-methyl butanoate (
CHEBI:69550
)
is a
aromatic ether (
CHEBI:35618
)
egonol-2ʼʼʼ-methyl butanoate (
CHEBI:69550
)
is a
benzodioxoles (
CHEBI:38298
)
egonol-2ʼʼʼ-methyl butanoate (
CHEBI:69550
)
is a
fatty acid ester (
CHEBI:35748
)
Incoming
7-demethoxylegonol-2-methylbutanoate (
CHEBI:69551
)
has functional parent
egonol-2ʼʼʼ-methyl butanoate (
CHEBI:69550
)
IUPAC Name
3-[2-(1,3-benzodioxol-5-yl)-7-methoxy-1-benzofuran-5-yl]propyl (2
S
)-2-methylbutanoate
Registry Number
Type
Source
22007790
Reaxys Registry Number
Reaxys
Citation
Type
Source
21939219
PubMed citation
Europe PMC
Last Modified
09 January 2014