CHEBI:67943 - 3β,23-dihydroxyurs-12-en-28-oic acid 28-O-β-D-glucopyranoside

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ChEBI Name 3β,23-dihydroxyurs-12-en-28-oic acid 28-O-β-D-glucopyranoside
ChEBI ID CHEBI:67943
ChEBI ASCII Name 3beta,23-dihydroxyurs-12-en-28-oic acid 28-O-beta-D-glucopyranoside
Definition A triterpenoid saponin that is 28-O-β-D-glucopyranosyl derivative of 23-hydroxyursolic acid. It has been isolated from the leaves and twigs of Juglans sinensis.
Stars This entity has been manually annotated by the ChEBI Team.
Supplier Information
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Formula C36H58O9
Net Charge 0
Average Mass 634.84030
Monoisotopic Mass 634.40808
InChI InChI=1S/C36H58O9/c1-19-9-14-36(31(43)45-30-29(42)28(41)27(40)22(17-37)44-30)16-15-34(5)21(26(36)20(19)2)7-8-24-32(3)12-11-25(39)33(4,18-38)23(32)10-13-35(24,34)6/h7,19-20,22-30,37-42H,8-18H2,1-6H3/t19-,20+,22-,23-,24-,25+,26+,27-,28+,29-,30+,32+,33+,34-,35-,36+/m1/s1
InChIKey CNLHARKNOPEQIC-CWVWMCCNSA-N
SMILES C[C@@H]1CC[C@@]2(CC[C@]3(C)C(=CC[C@@H]4[C@@]5(C)CC[C@H](O)[C@@](C)(CO)[C@@H]5CC[C@@]34C)[C@@H]2[C@H]1C)C(=O)O[C@@H]1O[C@H](CO)[C@@H](O)[C@H](O)[C@H]1O
Metabolite of Species Details
Juglans sinensis (NCBI:txid442437-1) Found in leaf (BTO:0000713). 80% Methanolic extract of dried leaves and twigs See: PubMed
Juglans sinensis (NCBI:txid442437-1) Found in twig (BTO:0001411). 80% Methanolic extract of dried leaves and twigs 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 3β,23-dihydroxyurs-12-en-28-oic acid 28-O-β-D-glucopyranoside (CHEBI:67943) has functional parent 23-hydroxyursolic acid (CHEBI:67896)
3β,23-dihydroxyurs-12-en-28-oic acid 28-O-β-D-glucopyranoside (CHEBI:67943) has parent hydride ursane (CHEBI:35711)
3β,23-dihydroxyurs-12-en-28-oic acid 28-O-β-D-glucopyranoside (CHEBI:67943) has role plant metabolite (CHEBI:76924)
3β,23-dihydroxyurs-12-en-28-oic acid 28-O-β-D-glucopyranoside (CHEBI:67943) is a β-D-glucoside (CHEBI:22798)
3β,23-dihydroxyurs-12-en-28-oic acid 28-O-β-D-glucopyranoside (CHEBI:67943) is a carboxylic ester (CHEBI:33308)
3β,23-dihydroxyurs-12-en-28-oic acid 28-O-β-D-glucopyranoside (CHEBI:67943) is a monosaccharide derivative (CHEBI:63367)
3β,23-dihydroxyurs-12-en-28-oic acid 28-O-β-D-glucopyranoside (CHEBI:67943) is a pentacyclic triterpenoid (CHEBI:25872)
3β,23-dihydroxyurs-12-en-28-oic acid 28-O-β-D-glucopyranoside (CHEBI:67943) is a triterpenoid saponin (CHEBI:61778)
IUPAC Name
1-O-[3β,23-dihydroxy-28-oxours-12-en-28-yl]-β-D-glucopyranose
Registry Number Type Source
21448538 Reaxys Registry Number Reaxys
Citation Waiting for Citations Type Source
21309591 PubMed citation Europe PMC
Last Modified
16 January 2014