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CHEBI:67936 - ophioglonin 7-O-β-D-glucopyranoside

ChEBI IDCHEBI:67936
ChEBI Nameophioglonin 7-O-β-D-glucopyranoside
Stars
ASCII Nameophioglonin 7-O-beta-D-glucopyranoside
DefinitionA homoflavonoid glycoside that is ophioglonin 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
FormulaC22H20O12
Net Charge0
Average Mass476.390
Monoisotopic Mass476.09548
SMILESO=c1c2c(oc3cc(O[C@@H]4O[C@H](CO)[C@@H](O)[C@H](O)[C@H]4O)cc(O)c13)-c1ccc(O)c(O)c1CO2
InChIInChI=1S/C22H20O12/c23-5-13-16(27)18(29)19(30)22(34-13)32-7-3-11(25)14-12(4-7)33-20-8-1-2-10(24)15(26)9(8)6-31-21(20)17(14)28/h1-4,13,16,18-19,22-27,29-30H,5-6H2/t13-,16-,18+,19-,22-/m1/s1
InChIKeyZBYBUYZJKQWRDO-FSFQXNNFSA-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)
ophioglonin 7-O-β-D-glucopyranoside (CHEBI:67936) has functional parent ophioglonin (CHEBI:66823)
ophioglonin 7-O-β-D-glucopyranoside (CHEBI:67936) has role metabolite (CHEBI:25212)
ophioglonin 7-O-β-D-glucopyranoside (CHEBI:67936) has role plant metabolite (CHEBI:76924)
ophioglonin 7-O-β-D-glucopyranoside (CHEBI:67936) is a homoflavonoid glycoside (CHEBI:76404)
ophioglonin 7-O-β-D-glucopyranoside (CHEBI:67936) is a hydroxy homoflavonoid (CHEBI:76405)
ophioglonin 7-O-β-D-glucopyranoside (CHEBI:67936) is a monosaccharide derivative (CHEBI:63367)
ophioglonin 7-O-β-D-glucopyranoside (CHEBI:67936) is a β-D-glucoside (CHEBI:22798)
IUPAC Name 
3,4,8-trihydroxy-7-oxo-5,7-dihydroisochromeno[4,3-b]chromen-10-yl β-D-glucopyranoside
Registry NumbersSources
Reaxys:15769001Reaxys
Citations