CHEBI:133413 - dihydrogenistin

Main ChEBI Ontology Automatic Xrefs Reactions Pathways Models
ChEBI Name dihydrogenistin
Definition A hydroxyisoflavanone that is dihydrogenistein in which the phenolic hydrogen at position 7 has been replaced by a β-D-glucosyl residue.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.
Supplier Information
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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
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)
5-hydroxy-3-(4-hydroxyphenyl)-4-oxo-3,4-dihydro-2H-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 Waiting for Citations Type Source
12088420 PubMed citation Europe PMC
Last Modified
28 February 2017