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CHEBI:67935 - ophioglonol 4'-O-β-D-glucopyranoside

ChEBI IDCHEBI:67935
ChEBI Nameophioglonol 4'-O-β-D-glucopyranoside
Stars
ASCII Nameophioglonol 4'-O-beta-D-glucopyranoside
DefinitionA homoflavonoid glycoside that is ophioglonol attached to a β-D-glucopyranosyl residue at position 4' 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@@H]3O[C@H](CO)[C@@H](O)[C@H](O)[C@H]3O)c(O)c2)oc2cc(O)cc(O)c12
InChIInChI=1S/C22H22O12/c23-6-10-17(28)16-12(27)4-9(25)5-14(16)32-21(10)8-1-2-13(11(26)3-8)33-22-20(31)19(30)18(29)15(7-24)34-22/h1-5,15,18-20,22-27,29-31H,6-7H2/t15-,18-,19+,20-,22-/m1/s1
InChIKeyXTPXAOSAGWJNDB-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:
plant metabolite  Any eukaryotic metabolite produced during a metabolic reaction in plants, the kingdom that include flowering plants, conifers and other gymnosperms.
metabolite  Any intermediate or product resulting from metabolism. The term 'metabolite' subsumes the classes commonly known as primary and secondary metabolites.
ChEBI Ontology
Outgoing Relation(s)
ophioglonol 4'-O-β-D-glucopyranoside (CHEBI:67935) has functional parent ophioglonol (CHEBI:67934)
ophioglonol 4'-O-β-D-glucopyranoside (CHEBI:67935) has role metabolite (CHEBI:25212)
ophioglonol 4'-O-β-D-glucopyranoside (CHEBI:67935) has role plant metabolite (CHEBI:76924)
ophioglonol 4'-O-β-D-glucopyranoside (CHEBI:67935) is a homoflavonoid glycoside (CHEBI:76404)
ophioglonol 4'-O-β-D-glucopyranoside (CHEBI:67935) is a hydroxy homoflavonoid (CHEBI:76405)
ophioglonol 4'-O-β-D-glucopyranoside (CHEBI:67935) is a monosaccharide derivative (CHEBI:63367)
ophioglonol 4'-O-β-D-glucopyranoside (CHEBI:67935) is a β-D-glucoside (CHEBI:22798)
IUPAC Name 
4-[5,7-dihydroxy-3-(hydroxymethyl)-4-oxo-4H-chromen-2-yl]-2-hydroxyphenyl β-D-glucopyranoside
Registry NumbersSources
Reaxys:15769003Reaxys
Citations