pedunculosumoside B (CHEBI:67874)

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CHEBI:67874 - pedunculosumoside B

ChEBI ID	CHEBI:67874
ChEBI Name	pedunculosumoside B
Stars
Definition	A homoflavonoid glycoside that is 5'-prenylophioglonol 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	C33H40O17
Net Charge	0
Average Mass	708.666
Monoisotopic Mass	708.22655
SMILES	CC(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[C@@H]1O[C@H](CO)[C@@H](O)[C@H](O)[C@H]1O
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

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:

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)
	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 homoflavonoid glycoside (CHEBI:76404)
	pedunculosumoside B (CHEBI:67874) is a hydroxy homoflavonoid (CHEBI:76405)
	pedunculosumoside B (CHEBI:67874) 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-hydroxy-6-(3-methylbut-2-en-1-yl)phenyl β-D-glucopyranoside

Synonym	Source
5'-(3-methyl-2-buten-1-yl)ophioglonol 7-O-β-D-glucopyranosyl-4'-O-β-D-glucopyranoside	ChEBI

Registry Numbers	Sources
Reaxys:21523327	Reaxys

Citations