CHEBI:69607 - clethroidoside G

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ChEBI Name clethroidoside G
ChEBI ID CHEBI:69607
Definition A triterpenoid saponin that is (3β,16α)-3,16-dihydroxy-12-oxooleanan-28-al attached to a β-D-glucopyranosyl-(1→2)-[β-D-glucopyranosyl-(1→4)]-α-L-arabinopyranosyl 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 C47H76O18
Net Charge 0
Average Mass 929.09550
Monoisotopic Mass 928.50317
InChI InChI=1S/C47H76O18/c1-42(2)12-13-47(20-50)21(15-42)30-22(51)14-27-44(5)10-9-29(43(3,4)26(44)8-11-45(27,6)46(30,7)16-28(47)52)64-41-38(65-40-37(59)35(57)32(54)24(18-49)62-40)33(55)25(19-60-41)63-39-36(58)34(56)31(53)23(17-48)61-39/h20-21,23-41,48-49,52-59H,8-19H2,1-7H3/t21-,23+,24+,25-,26-,27+,28+,29-,30-,31+,32+,33-,34-,35-,36+,37+,38+,39-,40-,41-,44-,45+,46+,47+/m0/s1
InChIKey GOTSIHVHBCEBJP-CBBBAJFRSA-N
SMILES CC1(C)CC[C@]2(C=O)[C@H](O)C[C@]3(C)[C@@H]([C@@H]2C1)C(=O)C[C@@H]1[C@@]2(C)CC[C@H](O[C@@H]4OC[C@H](O[C@@H]5O[C@H](CO)[C@@H](O)[C@H](O)[C@H]5O)[C@H](O)[C@H]4O[C@@H]4O[C@H](CO)[C@@H](O)[C@H](O)[C@H]4O)C(C)(C)[C@@H]2CC[C@@]31C
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 G (CHEBI:69607) has parent hydride oleanane (CHEBI:36481)
clethroidoside G (CHEBI:69607) has role plant metabolite (CHEBI:76924)
clethroidoside G (CHEBI:69607) is a aldehyde (CHEBI:17478)
clethroidoside G (CHEBI:69607) is a cyclic terpene ketone (CHEBI:36130)
clethroidoside G (CHEBI:69607) is a pentacyclic triterpenoid (CHEBI:25872)
clethroidoside G (CHEBI:69607) is a secondary alcohol (CHEBI:35681)
clethroidoside G (CHEBI:69607) is a trisaccharide derivative (CHEBI:63571)
clethroidoside G (CHEBI:69607) is a triterpenoid saponin (CHEBI:61778)
IUPAC Name
(3β,16α)-16-hydroxy-12,28-dioxooleanan-3-yl β-D-glucopyranosyl-(1→2)-[β-D-glucopyranosyl-(1→4)]-α-L-arabinopyranoside
Synonym Source
3-O-β-D-glucopyranosyl-(1→2)-[β-D-glucopyranosyl-(1→4)]-α-L-arabinopyranosyl-3β,16α-dihydroxy-12-oxoolean-28-al ChEBI
Registry Number Type Source
22007801 Reaxys Registry Number Reaxys
Citation Waiting for Citations Type Source
21928797 PubMed citation Europe PMC
Last Modified
09 January 2014