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CHEBI:67952 - 2α,3β,23α-trihydroxyurs-12-en-28-oic acid 28-O-β-D-glucopyranoside
| Formula | C36H58O10 |
| Net Charge | 0 |
| Average Mass | 650.850 |
| Monoisotopic Mass | 650.40300 |
| 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)C[C@@H](O)[C@H](O)[C@@]1(C)CO |
| InChI | InChI=1S/C36H58O10/c1-18-9-12-36(31(44)46-30-28(42)27(41)26(40)22(16-37)45-30)14-13-34(5)20(25(36)19(18)2)7-8-24-32(3)15-21(39)29(43)33(4,17-38)23(32)10-11-35(24,34)6/h7,18-19,21-30,37-43H,8-17H2,1-6H3/t18-,19+,21-,22-,23-,24-,25+,26-,27+,28-,29+,30+,32+,33+,34-,35-,36+/m1/s1 |
| InChIKey | OEGYWKLSOORPGU-SXLQXSQGSA-N |
| Species of Metabolite | Component | Source | Comments |
|---|---|---|---|
| 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) |
| 2α,3β,23α-trihydroxyurs-12-en-28-oic acid 28-O-β-D-glucopyranoside (CHEBI:67952) has functional parent asiatic acid (CHEBI:2873) |
| 2α,3β,23α-trihydroxyurs-12-en-28-oic acid 28-O-β-D-glucopyranoside (CHEBI:67952) has parent hydride ursane (CHEBI:35711) |
| 2α,3β,23α-trihydroxyurs-12-en-28-oic acid 28-O-β-D-glucopyranoside (CHEBI:67952) has role plant metabolite (CHEBI:76924) |
| 2α,3β,23α-trihydroxyurs-12-en-28-oic acid 28-O-β-D-glucopyranoside (CHEBI:67952) is a carboxylic ester (CHEBI:33308) |
| 2α,3β,23α-trihydroxyurs-12-en-28-oic acid 28-O-β-D-glucopyranoside (CHEBI:67952) is a monosaccharide derivative (CHEBI:63367) |
| 2α,3β,23α-trihydroxyurs-12-en-28-oic acid 28-O-β-D-glucopyranoside (CHEBI:67952) is a pentacyclic triterpenoid (CHEBI:25872) |
| 2α,3β,23α-trihydroxyurs-12-en-28-oic acid 28-O-β-D-glucopyranoside (CHEBI:67952) is a triterpenoid saponin (CHEBI:61778) |
| 2α,3β,23α-trihydroxyurs-12-en-28-oic acid 28-O-β-D-glucopyranoside (CHEBI:67952) is a β-D-glucoside (CHEBI:22798) |
| IUPAC Name |
|---|
| 1-O-[2α,3β,23-trihydroxy-28-oxours-12-en-28-yl]-β-D-glucopyranose |
| Synonym | Source |
|---|---|
| quadranoside IV | ChEBI |
| UniProt Name | Source |
|---|---|
| asiatic acid 28-O-β-D-glucoside | UniProt |
| Registry Numbers | Sources |
|---|---|
| Reaxys:8605856 | Reaxys |
| Citations |
|---|