pedunculosumoside E (CHEBI:67877)

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CHEBI:67877 - pedunculosumoside E

ChEBI ID	CHEBI:67877
ChEBI Name	pedunculosumoside E
Stars
Definition	A homoflavonoid glycoside that is ophioglonol attached to a 2-O-(β-D-glucopyranosyl)-β-D-glucopyranosyl and 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	C34H42O22
Net Charge	0
Average Mass	802.688
Monoisotopic Mass	802.21677
SMILES	[H][C@@]1(O[C@H]2[C@H](Oc3cc(O)c4c(=O)c(CO)c(-c5ccc(O[C@@H]6O[C@H](CO)[C@@H](O)[C@H](O)[C@H]6O)c(O)c5)oc4c3)O[C@H](CO)[C@@H](O)[C@@H]2O)O[C@H](CO)[C@@H](O)[C@H](O)[C@H]1O
InChI	InChI=1S/C34H42O22/c35-6-12-21(41)20-14(40)4-11(50-34-31(27(47)24(44)19(9-38)55-34)56-33-29(49)26(46)23(43)18(8-37)54-33)5-16(20)51-30(12)10-1-2-15(13(39)3-10)52-32-28(48)25(45)22(42)17(7-36)53-32/h1-5,17-19,22-29,31-40,42-49H,6-9H2/t17-,18-,19-,22-,23-,24-,25+,26+,27+,28-,29-,31-,32-,33+,34-/m1/s1
InChIKey	MGXHVYURWVASGT-JGKQFCEOSA-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 E (CHEBI:67877) has functional parent ophioglonol (CHEBI:67934)
	pedunculosumoside E (CHEBI:67877) has role metabolite (CHEBI:25212)
	pedunculosumoside E (CHEBI:67877) has role plant metabolite (CHEBI:76924)
	pedunculosumoside E (CHEBI:67877) is a homoflavonoid glycoside (CHEBI:76404)
	pedunculosumoside E (CHEBI:67877) is a hydroxy homoflavonoid (CHEBI:76405)
	pedunculosumoside E (CHEBI:67877) is a β-D-glucoside (CHEBI:22798)

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

Synonym	Source
ophioglonol 7-O-β-D-glucopyranosyl-(1→2)-β-D-glucopyranosyl-4'-O-β-D-glucopyranoside	ChEBI

Registry Numbers	Sources
Reaxys:21523328	Reaxys

Citations