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> Main
CHEBI:69552 - 7-demethoxylegonol acetate
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ChEBI Name
7-demethoxylegonol acetate
ChEBI ID
CHEBI:69552
Definition
An acetate ester of 7-demethoxylegonol that 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
C20H18O5
Net Charge
0
Average Mass
338.35390
Monoisotopic Mass
338.11542
InChI
InChI=1S/C20H18O5/c1-
13(21)
22-
8-
2-
3-
14-
4-
6-
17-
16(9-
14)
11-
19(25-
17)
15-
5-
7-
18-
20(10-
15)
24-
12-
23-
18/h4-
7,9-
11H,2-
3,8,12H2,1H3
InChIKey
IYUKVCGRCMQIPB-UHFFFAOYSA-N
SMILES
CC(=O)OCCCc1ccc2oc(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
7-demethoxylegonol acetate (
CHEBI:69552
)
has functional parent
egonol acetate (
CHEBI:69556
)
7-demethoxylegonol acetate (
CHEBI:69552
)
has parent hydride
1-benzofuran (
CHEBI:35260
)
7-demethoxylegonol acetate (
CHEBI:69552
)
has role
plant metabolite (
CHEBI:76924
)
7-demethoxylegonol acetate (
CHEBI:69552
)
is a
1-benzofurans (
CHEBI:38830
)
7-demethoxylegonol acetate (
CHEBI:69552
)
is a
acetate ester (
CHEBI:47622
)
7-demethoxylegonol acetate (
CHEBI:69552
)
is a
benzodioxoles (
CHEBI:38298
)
IUPAC Name
3-[2-(1,3-benzodioxol-5-yl)-1-benzofuran-5-yl]propyl acetate
Synonym
Source
5-(3-acetoxypropyl)-2-(3,4-methylenedioxyphenyl)benzofuran
ChEBI
Registry Number
Type
Source
10370893
Reaxys Registry Number
Reaxys
Citation
Type
Source
21939219
PubMed citation
Europe PMC
Last Modified
09 January 2014