CHEBI:67941 - 1-oxo-3β,23-dihydroxyolean-12-en-28-oic acid 28-O-β-D-glucopyranoside

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ChEBI Name 1-oxo-3β,23-dihydroxyolean-12-en-28-oic acid 28-O-β-D-glucopyranoside
ChEBI ID CHEBI:67941
ChEBI ASCII Name 1-oxo-3beta,23-dihydroxyolean-12-en-28-oic acid 28-O-beta-D-glucopyranoside
Definition A triterpenoid saponin that is olean-12-ene attached to hydroxy groups at positions 3 and 23, oxo groups at positions 1 and 28 and a β-D-glucopyranosyloxy group at position 28. 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 C36H56O10
Net Charge 0
Average Mass 648.82380
Monoisotopic Mass 648.38735
InChI InChI=1S/C36H56O10/c1-31(2)11-13-36(30(44)46-29-28(43)27(42)26(41)21(17-37)45-29)14-12-33(4)19(20(36)16-31)7-8-23-34(33,5)10-9-22-32(3,18-38)24(39)15-25(40)35(22,23)6/h7,20-24,26-29,37-39,41-43H,8-18H2,1-6H3/t20-,21+,22-,23-,24-,26+,27-,28+,29-,32-,33+,34+,35-,36-/m0/s1
InChIKey WDPGVNDSNNDCOT-CRIWHUKNSA-N
SMILES CC1(C)CC[C@@]2(CC[C@]3(C)C(=CC[C@H]4[C@@]3(C)CC[C@H]3[C@](C)(CO)[C@@H](O)CC(=O)[C@]43C)[C@@H]2C1)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 twig (BTO:0001411). 80% Methanolic extract of dried leaves and twigs See: PubMed
Juglans sinensis (NCBI:txid442437-1) Found in leaf (BTO:0000713). 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 1-oxo-3β,23-dihydroxyolean-12-en-28-oic acid 28-O-β-D-glucopyranoside (CHEBI:67941) has parent hydride oleanane (CHEBI:36481)
1-oxo-3β,23-dihydroxyolean-12-en-28-oic acid 28-O-β-D-glucopyranoside (CHEBI:67941) has role plant metabolite (CHEBI:76924)
1-oxo-3β,23-dihydroxyolean-12-en-28-oic acid 28-O-β-D-glucopyranoside (CHEBI:67941) is a β-D-glucoside (CHEBI:22798)
1-oxo-3β,23-dihydroxyolean-12-en-28-oic acid 28-O-β-D-glucopyranoside (CHEBI:67941) is a carboxylic ester (CHEBI:33308)
1-oxo-3β,23-dihydroxyolean-12-en-28-oic acid 28-O-β-D-glucopyranoside (CHEBI:67941) is a cyclic terpene ketone (CHEBI:36130)
1-oxo-3β,23-dihydroxyolean-12-en-28-oic acid 28-O-β-D-glucopyranoside (CHEBI:67941) is a monosaccharide derivative (CHEBI:63367)
1-oxo-3β,23-dihydroxyolean-12-en-28-oic acid 28-O-β-D-glucopyranoside (CHEBI:67941) is a pentacyclic triterpenoid (CHEBI:25872)
1-oxo-3β,23-dihydroxyolean-12-en-28-oic acid 28-O-β-D-glucopyranoside (CHEBI:67941) is a triterpenoid saponin (CHEBI:61778)
IUPAC Name
1-O-[3β,23-dihydroxy-1,28-dioxoolean-12-en-28-yl]-β-D-glucopyranose
Registry Number Type Source
21448539 Reaxys Registry Number Reaxys
Citation Waiting for Citations Type Source
21309591 PubMed citation Europe PMC
Last Modified
16 January 2014