EMBL-EBI | Chemical Biology | ChEBI

Example searches: iron*, InChI=1S/CH4O/c1-2/h2H,1H3, caffeine | Advanced Search

CHEBI:133413 - dihydrogenistin

ChEBI IDCHEBI:133413
ChEBI Namedihydrogenistin
Stars
DefinitionA hydroxyisoflavanone that is dihydrogenistein in which the phenolic hydrogen at position 7 has been replaced by a β-D-glucosyl residue.
Last Modified28 February 2017
Submittermwilliams
DownloadsMolfile
FormulaC21H22O10
Net Charge0
Average Mass434.397
Monoisotopic Mass434.12130
SMILESO=C1c2c(O)cc(O[C@@H]3O[C@H](CO)[C@@H](O)[C@H](O)[C@H]3O)cc2OCC1c1ccc(O)cc1
InChIInChI=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
InChIKeyHZFUHKPAKUYSOB-KENFSNRMSA-N
Species of MetaboliteComponentSourceComments
Glycine max (ncbitaxon:3847)
seed (BTO:0001226) MetaboLights (MTBLS118)
seed (BTO:0001226) PubMed (25369450)
seed (BTO:0001226) MetaboLights (MTBLS117)
Roles Classification
Biological Role:
plant metabolite  Any eukaryotic metabolite produced during a metabolic reaction in plants, the kingdom that include flowering plants, conifers and other gymnosperms.
ChEBI Ontology
Outgoing Relation(s)
dihydrogenistin (CHEBI:133413) has functional parent dihydrogenistein (CHEBI:34707)
dihydrogenistin (CHEBI:133413) has role plant metabolite (CHEBI:76924)
dihydrogenistin (CHEBI:133413) is a hydroxyisoflavanone (CHEBI:72739)
dihydrogenistin (CHEBI:133413) is a monosaccharide derivative (CHEBI:63367)
dihydrogenistin (CHEBI:133413) is a β-D-glucoside (CHEBI:22798)
IUPAC Name 
5-hydroxy-3-(4-hydroxyphenyl)-4-oxo-3,4-dihydro-2H-1-benzopyran-7-yl β-D-glucopyranoside
Synonyms  Source
5,7,4'-Trihydroxyisoflavanone 7-O-glucosideKNApSAcK
dihydrogenistein 7-O-β-D-glucosideChEBI
dihydrogenistein 7-O-β-D-glucopyranosideChEBI
Manual XrefsDatabases
9245260ChemSpider
C00018998KNApSAcK
HMDB0039935HMDB
Registry NumbersSources
Reaxys:9235657Reaxys
CAS:441045-21-2KNApSAcK
Citations