EMBL-EBI | Chemical Biology | ChEBI

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

CHEBI:67879 - pedunculosumoside G

Default Structure
ChEBI IDCHEBI:67879
ChEBI Namepedunculosumoside G
Stars
DefinitionA homoflavonoid glycoside that is ophioglonol attached to a β-D-glucopyranosyl residue at position 7 via a glycosidic linkage. It has been isolated from Ophioglossum pedunculosum.
Last Modified25 November 2013
DownloadsMolfile
FormulaC22H22O12
Net Charge0
Average Mass478.406
Monoisotopic Mass478.11113
SMILESO=c1c(CO)c(-c2ccc(O)c(O)c2)oc2cc(O[C@@H]3O[C@H](CO)[C@@H](O)[C@H](O)[C@H]3O)cc(O)c12
InChIInChI=1S/C22H22O12/c23-6-10-17(28)16-13(27)4-9(32-22-20(31)19(30)18(29)15(7-24)34-22)5-14(16)33-21(10)8-1-2-11(25)12(26)3-8/h1-5,15,18-20,22-27,29-31H,6-7H2/t15-,18-,19+,20-,22-/m1/s1
InChIKeyOKDKCOPTHQRHSA-VQIXPAPJSA-N
Species of MetaboliteComponentSourceComments
Ophioglossum pedunculosum (ncbitaxon:60874) whole plant (BTO:0001461) PubMed (21401115) 75% EtOH extract of dried whole plant
Roles Classification
Biological Roles:
metabolite  Any intermediate or product resulting from metabolism. The term 'metabolite' subsumes the classes commonly known as primary and secondary metabolites.
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)
pedunculosumoside G (CHEBI:67879) has functional parent ophioglonol (CHEBI:67934)
pedunculosumoside G (CHEBI:67879) has role metabolite (CHEBI:25212)
pedunculosumoside G (CHEBI:67879) has role plant metabolite (CHEBI:76924)
pedunculosumoside G (CHEBI:67879) is a homoflavonoid glycoside (CHEBI:76404)
pedunculosumoside G (CHEBI:67879) is a hydroxy homoflavonoid (CHEBI:76405)
pedunculosumoside G (CHEBI:67879) is a monosaccharide derivative (CHEBI:63367)
pedunculosumoside G (CHEBI:67879) is a β-D-glucoside (CHEBI:22798)
IUPAC Name 
2-(3,4-dihydroxyphenyl)-5-hydroxy-3-(hydroxymethyl)-4-oxo-4H-chromen-7-yl β-D-glucopyranoside
Synonym  Source
ophioglonol 7-O-β-D-glucopyranosideChEBI
Registry NumbersSources
Reaxys:21523322Reaxys
Citations