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> Main
CHEBI:80372 - malonylgenistin
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ChEBI Name
malonylgenistin
ChEBI ID
CHEBI:80372
Definition
A glycosyloxyisoflavone that is genistin in which the hydroxy hydrogen at position 6'' has been replaced by a malonyl group.
Stars
This entity has been manually annotated by the ChEBI Team.
Secondary ChEBI IDs
CHEBI:133338
Supplier Information
Download
Molfile
XML
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Molfile
Formula
C24H22O13
Net Charge
0
Average Mass
518.42370
Monoisotopic Mass
518.10604
InChI
InChI=1S/C24H22O13/c25-
11-
3-
1-
10(2-
4-
11)
13-
8-
34-
15-
6-
12(5-
14(26)
19(15)
20(13)
30)
36-
24-
23(33)
22(32)
21(31)
16(37-
24)
9-
35-
18(29)
7-
17(27)
28/h1-
6,8,16,21-
26,31-
33H,7,9H2,(H,27,28)
/t16-
,21-
,22+,23-
,24-
/m1/s1
InChIKey
FRAUJUKWSKMNJY-RSEYPYQYSA-N
SMILES
O[C@@H]1[C@@H](COC(=O)CC(O)=O)O[C@@H](Oc2cc(O)c3c(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
malonylgenistin (
CHEBI:80372
)
has functional parent
genistein 7-
O
-β-
D
-glucoside (
CHEBI:27514
)
malonylgenistin (
CHEBI:80372
)
has role
plant metabolite (
CHEBI:76924
)
malonylgenistin (
CHEBI:80372
)
is a
β-
D
-glucoside (
CHEBI:22798
)
malonylgenistin (
CHEBI:80372
)
is a
glycosyloxyisoflavone (
CHEBI:74630
)
malonylgenistin (
CHEBI:80372
)
is a
hydroxyisoflavone (
CHEBI:38755
)
malonylgenistin (
CHEBI:80372
)
is a
malonate ester (
CHEBI:38083
)
malonylgenistin (
CHEBI:80372
)
is a
monosaccharide derivative (
CHEBI:63367
)
IUPAC Name
5-
hydroxy-
3-
(4-
hydroxyphenyl)-
4-
oxo-
4
H
-
1-
benzopyran-
7-
yl 6-
O
-
(carboxyacetyl)-
β-
D
-
glucopyranoside
Synonyms
Sources
6''-Malonylgenistin
HMDB
genistein 7-
O
-β-
D
-glucoside 6''-
O
-malonate
ChEBI
genistin malonate
ChEBI
Manual Xrefs
Databases
C16192
KEGG COMPOUND
HMDB0029529
HMDB
LMPK12050173
LIPID MAPS
View more database links
Registry Number
Type
Source
4896665
Reaxys Registry Number
Reaxys
Citations
Types
Sources
25070365
PubMed citation
Europe PMC
25916398
PubMed citation
Europe PMC
Last Modified
26 September 2016