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CHEBI:9428 - tectoridin

ChEBI IDCHEBI:9428
ChEBI Nametectoridin
Stars
DefinitionA glycosyloxyisoflavone that is tectorigenin substituted by a β-D-glucopyranosyl residue at position 7 via a glycosidic linkage.
Last Modified3 March 2018
DownloadsMolfile
FormulaC22H22O11
Net Charge0
Average Mass462.407
Monoisotopic Mass462.11621
SMILESCOc1c(O[C@@H]2O[C@H](CO)[C@@H](O)[C@H](O)[C@H]2O)cc2occ(-c3ccc(O)cc3)c(=O)c2c1O
InChIInChI=1S/C22H22O11/c1-30-21-13(32-22-20(29)19(28)17(26)14(7-23)33-22)6-12-15(18(21)27)16(25)11(8-31-12)9-2-4-10(24)5-3-9/h2-6,8,14,17,19-20,22-24,26-29H,7H2,1H3/t14-,17-,19+,20-,22-/m1/s1
InChIKeyCNOURESJATUGPN-UDEBZQQRSA-N
Wikipedia
Species of MetaboliteComponentSourceComments
Maackia amurensis (ncbitaxon:37501) - PubMed (24252334)
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)
tectoridin (CHEBI:9428) has functional parent tectorigenin (CHEBI:9429)
tectoridin (CHEBI:9428) has role plant metabolite (CHEBI:76924)
tectoridin (CHEBI:9428) is a 7-hydroxyisoflavones 7-O-β-D-glucoside (CHEBI:140301)
tectoridin (CHEBI:9428) is a hydroxyisoflavone (CHEBI:38755)
tectoridin (CHEBI:9428) is a methoxyisoflavone (CHEBI:38756)
tectoridin (CHEBI:9428) is a monosaccharide derivative (CHEBI:63367)
IUPAC Name 
5-hydroxy-3-(4-hydroxyphenyl)-6-methoxy-4-oxo-4H-1-benzopyran-7-yl β-D-glucopyranoside
Synonym  Source
ShekaninKEGG COMPOUND
Manual XrefsDatabases
C10533KEGG COMPOUND
C00002576KNApSAcK
LMPK12050372LIPID MAPS
TectoridinWikipedia
Registry NumbersSources
Reaxys:6991307Reaxys
CAS:611-40-5KEGG COMPOUND
CAS:611-40-5ChemIDplus
Citations