CHEBI:67874 - pedunculosumoside B

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ChEBI Name pedunculosumoside B
ChEBI ID CHEBI:67874
Definition A homoflavonoid glycoside that is 5ʼ-prenylophioglonol attached to β-D-glucopyranosyl residues at positions 7 and 4ʼ respectively via glycosidic linkages. It has been isolated from the whole plants of Ophioglossum pedunculosum.
Stars This entity has been manually annotated by the ChEBI Team.
Supplier Information
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Formula C33H40O17
Net Charge 0
Average Mass 708.66050
Monoisotopic Mass 708.22655
InChI InChI=1S/C33H40O17/c1-12(2)3-4-13-5-14(6-18(38)31(13)50-33-29(45)27(43)25(41)21(11-36)49-33)30-16(9-34)23(39)22-17(37)7-15(8-19(22)47-30)46-32-28(44)26(42)24(40)20(10-35)48-32/h3,5-8,20-21,24-29,32-38,40-45H,4,9-11H2,1-2H3/t20-,21-,24-,25-,26+,27+,28-,29-,32-,33+/m1/s1
InChIKey HTSBCGPVSFENKR-LMYGLBCJSA-N
SMILES CC(C)=CCc1cc(cc(O)c1O[C@@H]1O[C@H](CO)[C@@H](O)[C@H](O)[C@H]1O)-c1oc2cc(O[C@@H]3O[C@H](CO)[C@@H](O)[C@H](O)[C@H]3O)cc(O)c2c(=O)c1CO
Metabolite of Species Details
Ophioglossum pedunculosum (NCBI:txid60874) Found in whole plant (BTO:0001461). 75% EtOH extract of dried whole plant See: PubMed
Roles Classification
Biological Role(s): 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.
View more via ChEBI Ontology
ChEBI Ontology
Outgoing pedunculosumoside B (CHEBI:67874) has functional parent ophioglonol (CHEBI:67934)
pedunculosumoside B (CHEBI:67874) has role metabolite (CHEBI:25212)
pedunculosumoside B (CHEBI:67874) has role plant metabolite (CHEBI:76924)
pedunculosumoside B (CHEBI:67874) is a β-D-glucoside (CHEBI:22798)
pedunculosumoside B (CHEBI:67874) is a homoflavonoid glycoside (CHEBI:76404)
pedunculosumoside B (CHEBI:67874) is a hydroxy homoflavonoid (CHEBI:76405)
IUPAC Name
4-[7-(β-D-glucopyranosyloxy)-5-hydroxy-3-(hydroxymethyl)-4-oxo-4H-chromen-2-yl]-2-hydroxy-6-(3-methylbut-2-en-1-yl)phenyl β-D-glucopyranoside
Synonym Source
5ʼ-(3-methyl-2-buten-1-yl)ophioglonol 7-O-β-D-glucopyranosyl-4ʼ-O-β-D-glucopyranoside ChEBI
Registry Number Type Source
21523327 Reaxys Registry Number Reaxys
Citation Waiting for Citations Type Source
21401115 PubMed citation Europe PMC
Last Modified
25 November 2013