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:

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 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