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

ChEBI IDCHEBI:67943
ChEBI Name3β,23-dihydroxyurs-12-en-28-oic acid 28-O-β-D-glucopyranoside
Stars
ASCII Name3beta,23-dihydroxyurs-12-en-28-oic acid 28-O-beta-D-glucopyranoside
DefinitionA 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.
Last Modified16 January 2014
DownloadsMolfile
FormulaC36H58O9
Net Charge0
Average Mass634.851
Monoisotopic Mass634.40808
SMILES[H][C@]12CC=C3[C@@](C)(CC[C@@]4(C(=O)O[C@@H]5O[C@H](CO)[C@@H](O)[C@H](O)[C@H]5O)CC[C@@H](C)[C@H](C)[C@@]34[H])[C@]1(C)CC[C@]1([H])[C@]2(C)CC[C@H](O)[C@@]1(C)CO
InChIInChI=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
InChIKeyCNLHARKNOPEQIC-CWVWMCCNSA-N
Species of MetaboliteComponentSourceComments
Juglans sinensis (ncbitaxon:442437-1)
leaf (BTO:0000713) PubMed (21309591) 80% Methanolic extract of dried leaves and twigs
twig (BTO:0001411) PubMed (21309591) 80% Methanolic extract of dried leaves and twigs
Roles Classification
Biological Roles:
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.
ChEBI Ontology
Outgoing Relation(s)
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 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)
3β,23-dihydroxyurs-12-en-28-oic acid 28-O-β-D-glucopyranoside (CHEBI:67943) is a β-D-glucoside (CHEBI:22798)
IUPAC Name 
1-O-[3β,23-dihydroxy-28-oxours-12-en-28-yl]-β-D-glucopyranose
Registry NumbersSources
Reaxys:21448538Reaxys
Citations