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CHEBI:37658 - oleanolic acid 3-O-β-D-glucosiduronic acid
| Formula | C36H56O9 |
| Net Charge | 0 |
| Average Mass | 632.835 |
| Monoisotopic Mass | 632.39243 |
| SMILES | [H][C@]12CC=C3[C@]4([H])CC(C)(C)CC[C@]4(C(=O)O)CC[C@@]3(C)[C@]1(C)CC[C@@]1([H])C(C)(C)[C@@H](O[C@@H]3O[C@H](C(=O)O)[C@@H](O)[C@H](O)[C@H]3O)CC[C@]21C |
| InChI | InChI=1S/C36H56O9/c1-31(2)14-16-36(30(42)43)17-15-34(6)19(20(36)18-31)8-9-22-33(5)12-11-23(32(3,4)21(33)10-13-35(22,34)7)44-29-26(39)24(37)25(38)27(45-29)28(40)41/h8,20-27,29,37-39H,9-18H2,1-7H3,(H,40,41)(H,42,43)/t20-,21-,22+,23-,24-,25-,26+,27-,29+,33-,34+,35+,36-/m0/s1 |
| InChIKey | IUCHKMAZAWJNBJ-RCYXVVTDSA-N |
| ChEBI Ontology |
|---|
| Outgoing Relation(s) |
| oleanolic acid 3-O-β-D-glucosiduronic acid (CHEBI:37658) has functional parent oleanolic acid (CHEBI:37659) |
| oleanolic acid 3-O-β-D-glucosiduronic acid (CHEBI:37658) is a β-D-glucosiduronic acid (CHEBI:15341) |
| IUPAC Name |
|---|
| 28-hydroxy-28-oxoolean-12-en-3β-yl β-D-glucopyranosiduronic acid |
| Synonyms | Source |
|---|---|
| Oleanoic acid 3-O-glucuronide | KEGG COMPOUND |
| oleanolic acid 3-O-glucuronide | ChEBI |
| 3-O-(beta-D-Glucopyranuronosyl)oleanolic acid | ChemIDplus |
| Calenduloside E | ChemIDplus |
| Glycoside St-E | ChemIDplus |
| Momordin Ib | ChemIDplus |