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InChI=1S/CH4O/c1-2/h2H,1H3
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ChEBI
> Main
CHEBI:133413 - dihydrogenistin
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ChEBI Ontology
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ChEBI Name
dihydrogenistin
ChEBI ID
CHEBI:133413
Definition
A hydroxyisoflavanone that is dihydrogenistein in which the phenolic hydrogen at position 7 has been replaced by a β-
D
-glucosyl residue.
Stars
This entity has been manually annotated by the ChEBI Team.
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Formula
C21H22O10
Net Charge
0
Average Mass
434.394
Monoisotopic Mass
434.12130
InChI
InChI=1S/C21H22O10/c22-
7-
15-
18(26)
19(27)
20(28)
21(31-
15)
30-
11-
5-
13(24)
16-
14(6-
11)
29-
8-
12(17(16)
25)
9-
1-
3-
10(23)
4-
2-
9/h1-
6,12,15,18-
24,26-
28H,7-
8H2/t12?,15-
,18-
,19+,20-
,21-
/m1/s1
InChIKey
HZFUHKPAKUYSOB-KENFSNRMSA-N
SMILES
[C@@H]1([C@@H]([C@H]([C@@H]([C@H](O1)CO)O)O)O)OC=2C=C(C=3C(C(COC3C2)C4=CC=C(C=C4)O)=O)O
Metabolite of Species
Details
Glycine max
(NCBI:txid3847)
Found in seed
(BTO:0001226)
. See:
MetaboLights Study
Glycine max
(NCBI:txid3847)
Found in seed
(BTO:0001226)
. See:
MetaboLights Study
Glycine max
(NCBI:txid3847)
Found in seed
(BTO:0001226)
. 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
dihydrogenistin (
CHEBI:133413
)
has functional parent
dihydrogenistein (
CHEBI:34707
)
dihydrogenistin (
CHEBI:133413
)
has role
plant metabolite (
CHEBI:76924
)
dihydrogenistin (
CHEBI:133413
)
is a
β-
D
-glucoside (
CHEBI:22798
)
dihydrogenistin (
CHEBI:133413
)
is a
hydroxyisoflavanone (
CHEBI:72739
)
dihydrogenistin (
CHEBI:133413
)
is a
monosaccharide derivative (
CHEBI:63367
)
IUPAC Name
5-
hydroxy-
3-
(4-
hydroxyphenyl)-
4-
oxo-
3,4-
dihydro-
2
H
-
1-
benzopyran-
7-
yl β-
D
-
glucopyranoside
Synonyms
Sources
5,7,4'-Trihydroxyisoflavanone 7-O-glucoside
KNApSAcK
dihydrogenistein 7-
O
-β-
D
-glucopyranoside
ChEBI
dihydrogenistein 7-
O
-β-
D
-glucoside
ChEBI
Manual Xrefs
Databases
9245260
ChemSpider
C00018998
KNApSAcK
HMDB0039935
HMDB
View more database links
Registry Numbers
Types
Sources
441045-21-2
CAS Registry Number
KNApSAcK
9235657
Reaxys Registry Number
Reaxys
Citation
Type
Source
12088420
PubMed citation
Europe PMC
Last Modified
28 February 2017