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CHEBI:67876 - pedunculosumoside D

ChEBI IDCHEBI:67876
ChEBI Namepedunculosumoside D
Stars
DefinitionA homoflavonoid glycoside that is 5'-prenylophioglonol attached to a β-D-glucopyranosyl residue at position 7 via a glycosidic linkage. It has been isolated from the whole plants of Ophioglossum pedunculosum.
Last Modified9 January 2014
DownloadsMolfile
FormulaC27H30O12
Net Charge0
Average Mass546.525
Monoisotopic Mass546.17373
SMILESCC(C)=CCc1cc(-c2oc3cc(O[C@@H]4O[C@H](CO)[C@@H](O)[C@H](O)[C@H]4O)cc(O)c3c(=O)c2CO)cc(O)c1O
InChIInChI=1S/C27H30O12/c1-11(2)3-4-12-5-13(6-17(31)21(12)32)26-15(9-28)22(33)20-16(30)7-14(8-18(20)38-26)37-27-25(36)24(35)23(34)19(10-29)39-27/h3,5-8,19,23-25,27-32,34-36H,4,9-10H2,1-2H3/t19-,23-,24+,25-,27-/m1/s1
InChIKeyTTYVGHVGKPQQDZ-ZOTWRPDGSA-N
Species of MetaboliteComponentSourceComments
Ophioglossum pedunculosum (ncbitaxon:60874) whole plant (BTO:0001461) PubMed (21401115) 75% EtOH extract of dried whole plant
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)
pedunculosumoside D (CHEBI:67876) has functional parent ophioglonol (CHEBI:67934)
pedunculosumoside D (CHEBI:67876) has role plant metabolite (CHEBI:76924)
pedunculosumoside D (CHEBI:67876) is a homoflavonoid glycoside (CHEBI:76404)
pedunculosumoside D (CHEBI:67876) is a hydroxy homoflavonoid (CHEBI:76405)
pedunculosumoside D (CHEBI:67876) is a monosaccharide derivative (CHEBI:63367)
pedunculosumoside D (CHEBI:67876) is a β-D-glucoside (CHEBI:22798)
IUPAC Name 
2-[3,4-dihydroxy-5-(3-methylbut-2-en-1-yl)phenyl]-5-hydroxy-3-(hydroxymethyl)-4-oxo-4H-chromen-7-yl β-D-glucopyranoside
Synonym  Source
5'-(3-methyl-2-buten-1-yl)ophioglonol 7-O-β-D-glucopyranosideChEBI
Registry NumbersSources
Reaxys:21523323Reaxys
Citations