EMBL-EBI | Chemical Biology | ChEBI

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

CHEBI:80373 - glycitin

ChEBI IDCHEBI:80373
ChEBI Nameglycitin
Stars
DefinitionA glycosyloxyisoflavone that is isoflavone substituted by a methoxy group at position 6, a hydroxy group at position 4' and a β-D-glucopyranosyloxy group at position 7.
Last Modified3 March 2018
DownloadsMolfile
FormulaC22H22O10
Net Charge0
Average Mass446.408
Monoisotopic Mass446.12130
SMILESCOc1cc2c(=O)c(-c3ccc(O)cc3)coc2cc1O[C@@H]1O[C@H](CO)[C@@H](O)[C@H](O)[C@H]1O
InChIInChI=1S/C22H22O10/c1-29-15-6-12-14(30-9-13(18(12)25)10-2-4-11(24)5-3-10)7-16(15)31-22-21(28)20(27)19(26)17(8-23)32-22/h2-7,9,17,19-24,26-28H,8H2,1H3/t17-,19-,20+,21-,22-/m1/s1
InChIKeyOZBAVEKZGSOMOJ-MIUGBVLSSA-N
Species of MetaboliteComponentSourceComments
Centella asiatica (ncbitaxon:48106) - MetaboLights (MTBLS175)
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)
glycitin (CHEBI:80373) has role plant metabolite (CHEBI:76924)
glycitin (CHEBI:80373) is a 7-hydroxyisoflavones 7-O-β-D-glucoside (CHEBI:140301)
glycitin (CHEBI:80373) is a hydroxyisoflavone (CHEBI:38755)
glycitin (CHEBI:80373) is a methoxyisoflavone (CHEBI:38756)
glycitin (CHEBI:80373) is a monosaccharide derivative (CHEBI:63367)
Incoming Relation(s)
glycitein 7-(6-O-acetyl-β-D-glucoside) (CHEBI:133348) has functional parent glycitin (CHEBI:80373)
glycitein 7-O-β-D-(2'',4'',6''-O-triacetyl)glucopyranoside (CHEBI:85132) has functional parent glycitin (CHEBI:80373)
malonylglycitin (CHEBI:80374) has functional parent glycitin (CHEBI:80373)
IUPAC Name 
3-(4-hydroxyphenyl)-6-methoxy-4-oxo-4H-chromen-7-yl β-D-glucopyranoside
Synonym  Source
Glycitein 7-O-glucosideKEGG COMPOUND
Manual XrefsDatabases
C16195KEGG COMPOUND
C00010089KNApSAcK
HMDB0002219HMDB
Registry NumbersSources
Reaxys:4339336Reaxys
CAS:40246-10-4KEGG COMPOUND
CAS:40246-10-4ChemIDplus
Citations