CHEBI:69608 - clethroidoside H

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ChEBI Name clethroidoside H
ChEBI ID CHEBI:69608
Definition A triterpenoid saponin that is (2α,3β,21β)-ursa-9(11),12-diene-2,3,21,30-tetrol attached to β-D-glucopyranosyl residues at positions 21 and 30 respectively via glycosidic linkages. It has been isolated from the aerial parts of Lysimachia clethroides.
Stars This entity has been manually annotated by the ChEBI Team.
Supplier Information
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Formula C42H68O14
Net Charge 0
Average Mass 796.98090
Monoisotopic Mass 796.46091
InChI InChI=1S/C42H68O14/c1-19-20(18-53-36-33(50)31(48)29(46)24(16-43)55-36)23(54-37-34(51)32(49)30(47)25(17-44)56-37)15-39(4)12-13-41(6)21(28(19)39)8-9-27-40(5)14-22(45)35(52)38(2,3)26(40)10-11-42(27,41)7/h8-9,19-20,22-26,28-37,43-52H,10-18H2,1-7H3/t19-,20-,22+,23-,24+,25+,26-,28-,29+,30+,31-,32-,33+,34+,35-,36+,37+,39-,40-,41+,42+/m0/s1
InChIKey JOEPYBMXSPYIEP-ZBIJTGLSSA-N
SMILES C[C@H]1[C@H](CO[C@@H]2O[C@H](CO)[C@@H](O)[C@H](O)[C@H]2O)[C@H](C[C@]2(C)CC[C@]3(C)C(=CC=C4[C@@]5(C)C[C@@H](O)[C@H](O)C(C)(C)[C@@H]5CC[C@@]34C)[C@H]12)O[C@@H]1O[C@H](CO)[C@@H](O)[C@H](O)[C@H]1O
Metabolite of Species Details
Lysimachia clethroides (NCBI:txid167892) Found in aerial part (BTO:0001658). Air-dried, powdered aerial parts were extracted with 70% aqueous ethyl alcohol. See: PubMed
Roles Classification
Biological Role(s): 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.
(via saponin )
View more via ChEBI Ontology
ChEBI Ontology
Outgoing clethroidoside H (CHEBI:69608) has parent hydride ursane (CHEBI:35711)
clethroidoside H (CHEBI:69608) has role plant metabolite (CHEBI:76924)
clethroidoside H (CHEBI:69608) is a β-D-glucoside (CHEBI:22798)
clethroidoside H (CHEBI:69608) is a diol (CHEBI:23824)
clethroidoside H (CHEBI:69608) is a pentacyclic triterpenoid (CHEBI:25872)
clethroidoside H (CHEBI:69608) is a triterpenoid saponin (CHEBI:61778)
IUPAC Name
(2α,3β,21β)-21-(β-D-glucopyranosyloxy)-2,3-dihydroxyursa-9(11),12-dien-30-yl β-D-glucopyranoside
Synonym Source
1,30-di-O-β-D-glucopyranosyl-2α,3β,21β,30-tetraahydroxyurs-9(11),12-diene ChEBI
Registry Number Type Source
22007798 Reaxys Registry Number Reaxys
Citation Waiting for Citations Type Source
21928797 PubMed citation Europe PMC
Last Modified
20 January 2014