pedunculosumoside F (CHEBI:67878)

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

CHEBI:67878 - pedunculosumoside F

ChEBI ID	CHEBI:67878
ChEBI Name	pedunculosumoside F
Stars
Definition	A homoflavonoid glycoside that is ophioglonol attached to β-D-glucopyranosyl residues at positions 7 and 4' respectively via glycosidic linkages. It has been isolated from the whole plants of Ophioglossum pedunculosum.
Last Modified	25 November 2013
Downloads	Molfile

Formula	C28H32O17
Net Charge	0
Average Mass	640.547
Monoisotopic Mass	640.16395
SMILES	O=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[C@@H]3O[C@H](CO)[C@@H](O)[C@H](O)[C@H]3O)cc(O)c12
InChI	InChI=1S/C28H32O17/c29-6-11-19(34)18-13(33)4-10(41-27-24(39)22(37)20(35)16(7-30)44-27)5-15(18)42-26(11)9-1-2-14(12(32)3-9)43-28-25(40)23(38)21(36)17(8-31)45-28/h1-5,16-17,20-25,27-33,35-40H,6-8H2/t16-,17-,20-,21-,22+,23+,24-,25-,27-,28-/m1/s1
InChIKey	VWMQUPAZXJVKFZ-KJBTZJKUSA-N

Species of Metabolite	Component	Source	Comments
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 F (CHEBI:67878) has functional parent ophioglonol (CHEBI:67934)
	pedunculosumoside F (CHEBI:67878) has role metabolite (CHEBI:25212)
	pedunculosumoside F (CHEBI:67878) has role plant metabolite (CHEBI:76924)
	pedunculosumoside F (CHEBI:67878) is a homoflavonoid glycoside (CHEBI:76404)
	pedunculosumoside F (CHEBI:67878) is a hydroxy homoflavonoid (CHEBI:76405)
	pedunculosumoside F (CHEBI:67878) is a β-D-glucoside (CHEBI:22798)

IUPAC Name
4-[7-(β-D-glucopyranosyloxy)-5-hydroxy-3-(hydroxymethyl)-4-oxo-4H-chromen-2-yl]-2-hydroxyphenyl β-D-glucopyranoside

Synonym	Source
ophioglonol 7-O-β-D-glucopyranosyl-4'-O-β-D-glucopyranoside	ChEBI

Registry Numbers	Sources
Reaxys:21523325	Reaxys

Citations