CHEBI:69605 - clethroidoside E

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ChEBI Name clethroidoside E
ChEBI ID CHEBI:69605
Definition A triterpenoid saponin that is (3β,16α)-13,28-epoxyoleanane-3,16-diol attached to a tetrasaccharide residue at position 3 via a glycosidic linkage. 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 C55H90O22
Net Charge 0
Average Mass 1103.28990
Monoisotopic Mass 1102.59237
InChI InChI=1S/C55H90O22/c1-24-34(59)38(63)41(66)45(71-24)77-44-40(65)35(60)26(20-56)72-48(44)74-28-22-69-47(43(37(28)62)76-46-42(67)39(64)36(61)27(73-46)21-68-25(2)57)75-33-12-13-51(7)29(50(33,5)6)10-14-52(8)30(51)11-15-55-31-18-49(3,4)16-17-54(31,23-70-55)32(58)19-53(52,55)9/h24,26-48,56,58-67H,10-23H2,1-9H3/t24-,26+,27+,28-,29-,30+,31+,32+,33-,34-,35+,36+,37-,38+,39-,40-,41+,42+,43+,44+,45-,46-,47-,48-,51-,52+,53-,54+,55-/m0/s1
InChIKey KEJKWEZYXBTIOG-AAALSCGBSA-N
SMILES C[C@@H]1O[C@@H](O[C@@H]2[C@@H](O)[C@H](O)[C@@H](CO)O[C@H]2O[C@H]2CO[C@@H](O[C@H]3CC[C@@]4(C)[C@@H](CC[C@]5(C)[C@@H]4CC[C@]46OC[C@@]7(CCC(C)(C)C[C@@H]47)[C@H](O)C[C@@]56C)C3(C)C)[C@H](O[C@@H]3O[C@H](COC(C)=O)[C@@H](O)[C@H](O)[C@H]3O)[C@H]2O)[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 E (CHEBI:69605) has parent hydride oleanane (CHEBI:36481)
clethroidoside E (CHEBI:69605) has role plant metabolite (CHEBI:76924)
clethroidoside E (CHEBI:69605) is a acetate ester (CHEBI:47622)
clethroidoside E (CHEBI:69605) is a cyclic ether (CHEBI:37407)
clethroidoside E (CHEBI:69605) is a hexacyclic triterpenoid (CHEBI:70994)
clethroidoside E (CHEBI:69605) is a secondary alcohol (CHEBI:35681)
clethroidoside E (CHEBI:69605) is a tetrasaccharide derivative (CHEBI:63567)
clethroidoside E (CHEBI:69605) is a triterpenoid saponin (CHEBI:61778)
IUPAC Name
(3β,16α)-16-hydroxy-13,28-epoxyoleanan-3-yl 6-O-acetyl-β-D-glucopyranosyl-(1→2)-[6-deoxy-α-L-mannopyranosyl-(1→2)-β-D-glucopyranosyl-(1→4)]-α-L-arabinopyranoside
Synonym Source
3-O-β-D-6-acetylglucopyranosyl-(1→2)-[α-L-rhamnopyranosyl-(1→2)-β-D-glucopyranosyl-(1→4)]-α-L-arabinopyranosyl-13β,28-epoxy-3β,16α-dihydroxyoleanane ChEBI
Registry Number Type Source
22007806 Reaxys Registry Number Reaxys
Citation Waiting for Citations Type Source
21928797 PubMed citation Europe PMC
Last Modified
09 January 2014