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CHEBI:16404 - 3-oxoglycyrrhetinic acid
| Formula | C30H44O4 |
| Net Charge | 0 |
| Average Mass | 468.678 |
| Monoisotopic Mass | 468.32396 |
| SMILES | [H][C@]12C(=O)C=C3[C@]4([H])C[C@@](C)(C(=O)O)CC[C@]4(C)CC[C@@]3(C)[C@]1(C)CC[C@@]1([H])C(C)(C)C(=O)CC[C@]21C |
| InChI | InChI=1S/C30H44O4/c1-25(2)21-8-11-30(7)23(28(21,5)10-9-22(25)32)20(31)16-18-19-17-27(4,24(33)34)13-12-26(19,3)14-15-29(18,30)6/h16,19,21,23H,8-15,17H2,1-7H3,(H,33,34)/t19-,21-,23+,26+,27-,28-,29+,30+/m0/s1 |
| InChIKey | QGWDYPREORDRIT-LPXJIFNVSA-N |
| ChEBI Ontology |
|---|
| Outgoing Relation(s) |
| 3-oxoglycyrrhetinic acid (CHEBI:16404) has functional parent glycyrrhetinic acid (CHEBI:30853) |
| 3-oxoglycyrrhetinic acid (CHEBI:16404) is a pentacyclic triterpenoid (CHEBI:25872) |
| 3-oxoglycyrrhetinic acid (CHEBI:16404) is conjugate acid of 3-oxoglycyrrhetinate (CHEBI:57760) |
| Incoming Relation(s) |
| 3-oxoglycyrrhetinate (CHEBI:57760) is conjugate base of 3-oxoglycyrrhetinic acid (CHEBI:16404) |
| IUPAC Name |
|---|
| 3,11-dioxoolean-12-en-30-oic acid |
| Synonym | Source |
|---|---|
| 3-Oxoglycyrrhetinate | KEGG COMPOUND |