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> Main
CHEBI:80371 - malonyldaidzin
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ChEBI Ontology
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ChEBI Name
malonyldaidzin
ChEBI ID
CHEBI:80371
Definition
A glycosyloxyisoflavone that is daidzein substituted by a 6-
O
-(carboxyacetyl)-β-
D
-glucopyranosyl residue at position 7 via a glycosidic linkage.
Stars
This entity has been manually annotated by the ChEBI Team.
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Formula
C24H22O12
Net Charge
0
Average Mass
502.42430
Monoisotopic Mass
502.11113
InChI
InChI=1S/C24H22O12/c25-
12-
3-
1-
11(2-
4-
12)
15-
9-
33-
16-
7-
13(5-
6-
14(16)
20(15)
29)
35-
24-
23(32)
22(31)
21(30)
17(36-
24)
10-
34-
19(28)
8-
18(26)
27/h1-
7,9,17,21-
25,30-
32H,8,10H2,(H,26,27)
/t17-
,21-
,22+,23-
,24-
/m1/s1
InChIKey
MTXMHWSVSZKYBT-ASDZUOGYSA-N
SMILES
O[C@@H]1[C@@H](COC(=O)CC(O)=O)O[C@@H](Oc2ccc3c(c2)occ(-c2ccc(O)cc2)c3=O)[C@H](O)[C@H]1O
Metabolite of Species
Details
Glycine max
(NCBI:txid3847)
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
malonyldaidzin (
CHEBI:80371
)
has functional parent
daidzein 7-
O
-β-
D
-glucoside (
CHEBI:42202
)
malonyldaidzin (
CHEBI:80371
)
has role
plant metabolite (
CHEBI:76924
)
malonyldaidzin (
CHEBI:80371
)
is a
glycosyloxyisoflavone (
CHEBI:74630
)
malonyldaidzin (
CHEBI:80371
)
is a
hydroxyisoflavone (
CHEBI:38755
)
malonyldaidzin (
CHEBI:80371
)
is a
malonate ester (
CHEBI:38083
)
malonyldaidzin (
CHEBI:80371
)
is a
monosaccharide derivative (
CHEBI:63367
)
IUPAC Name
3-
(4-
hydroxyphenyl)-
4-
oxo-
4
H
-
1-
benzopyran-
7-
yl 6-
O
-
(carboxyacetyl)-
β-
D
-
glucopyranoside
Manual Xrefs
Databases
C16191
KEGG COMPOUND
HMDB0041263
HMDB
View more database links
Registry Number
Type
Source
4895660
Reaxys Registry Number
Reaxys
Citations
Types
Sources
25053043
PubMed citation
Europe PMC
25070365
PubMed citation
Europe PMC
Last Modified
24 June 2015