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CHEBI:69365 - 3β,6β,23-trihydroxyolean-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@]4([H])CC(C)(C)CC[C@]4(C(=O)O[C@@H]4O[C@H](CO)[C@@H](O)[C@H](O)[C@H]4O)CC[C@@]3(C)[C@]1(C)C[C@@H](O)[C@]1([H])[C@]2(C)CC[C@H](O)[C@@]1(C)CO |
| InChI | InChI=1S/C36H58O10/c1-31(2)11-13-36(30(44)46-29-27(43)26(42)25(41)22(17-37)45-29)14-12-34(5)19(20(36)15-31)7-8-23-32(3)10-9-24(40)33(4,18-38)28(32)21(39)16-35(23,34)6/h7,20-29,37-43H,8-18H2,1-6H3/t20-,21+,22+,23+,24-,25+,26-,27+,28+,29-,32+,33+,34+,35+,36-/m0/s1 |
| InChIKey | ACQGRYACYVKOBB-ONXNPAKPSA-N |
| Species of Metabolite | Component | Source | Comments |
|---|---|---|---|
| Kalopanax pictus (ncbitaxon:46399) | stem (BTO:0001300) | PubMed (21870831) | Previous component: stem bark; Hot MeOH extract of dried stem bark |
| 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. |
| Application: | anti-inflammatory agent Any compound that has anti-inflammatory effects. |
| ChEBI Ontology |
|---|
| Outgoing Relation(s) |
| 3β,6β,23-trihydroxyolean-12-en-28-oic acid 28-O-β-D-glucopyranoside (CHEBI:69365) has parent hydride oleanane (CHEBI:36481) |
| 3β,6β,23-trihydroxyolean-12-en-28-oic acid 28-O-β-D-glucopyranoside (CHEBI:69365) has role anti-inflammatory agent (CHEBI:67079) |
| 3β,6β,23-trihydroxyolean-12-en-28-oic acid 28-O-β-D-glucopyranoside (CHEBI:69365) has role plant metabolite (CHEBI:76924) |
| 3β,6β,23-trihydroxyolean-12-en-28-oic acid 28-O-β-D-glucopyranoside (CHEBI:69365) is a carboxylic ester (CHEBI:33308) |
| 3β,6β,23-trihydroxyolean-12-en-28-oic acid 28-O-β-D-glucopyranoside (CHEBI:69365) is a monosaccharide derivative (CHEBI:63367) |
| 3β,6β,23-trihydroxyolean-12-en-28-oic acid 28-O-β-D-glucopyranoside (CHEBI:69365) is a pentacyclic triterpenoid (CHEBI:25872) |
| 3β,6β,23-trihydroxyolean-12-en-28-oic acid 28-O-β-D-glucopyranoside (CHEBI:69365) is a triol (CHEBI:27136) |
| 3β,6β,23-trihydroxyolean-12-en-28-oic acid 28-O-β-D-glucopyranoside (CHEBI:69365) is a triterpenoid saponin (CHEBI:61778) |
| 3β,6β,23-trihydroxyolean-12-en-28-oic acid 28-O-β-D-glucopyranoside (CHEBI:69365) is a β-D-glucoside (CHEBI:22798) |
| IUPAC Name |
|---|
| 1-O-[(3β,6β)-3,6,23-trihydroxy-28-oxoolean-12-en-28-yl]-β-D-glucopyranose |
| Registry Numbers | Sources |
|---|---|
| Reaxys:21902580 | Reaxys |
| Citations |
|---|