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:

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 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