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CHEBI:16317 - 3α-hydroxyglycyrrhetinic acid
| Formula | C30H46O4 |
| Net Charge | 0 |
| Average Mass | 470.694 |
| Monoisotopic Mass | 470.33961 |
| 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@H](O)CC[C@]21C |
| InChI | InChI=1S/C30H46O4/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/h16,19,21-23,32H,8-15,17H2,1-7H3,(H,33,34)/t19-,21-,22+,23+,26+,27-,28-,29+,30+/m0/s1 |
| InChIKey | MPDGHEJMBKOTSU-GBWCSKBLSA-N |
| ChEBI Ontology |
|---|
| Outgoing Relation(s) |
| 3α-hydroxyglycyrrhetinic acid (CHEBI:16317) has functional parent glycyrrhetinic acid (CHEBI:30853) |
| 3α-hydroxyglycyrrhetinic acid (CHEBI:16317) is a pentacyclic triterpenoid (CHEBI:25872) |
| 3α-hydroxyglycyrrhetinic acid (CHEBI:16317) is conjugate acid of 3α-hydroxyglycyrrhetinate (CHEBI:57729) |
| Incoming Relation(s) |
| 3α-hydroxyglycyrrhetinate (CHEBI:57729) is conjugate base of 3α-hydroxyglycyrrhetinic acid (CHEBI:16317) |
| IUPAC Name |
|---|
| 3α-hydroxy-11-oxoolean-12-en-30-oic acid |
| Synonyms | Source |
|---|---|
| 3alpha-Hydroxyglycyrrhetinate | KEGG COMPOUND |
| 3-alpha-hydroxyglycyrrhetinate | ChEBI |
| 3βH-glycyrrhetinate | ChEBI |
| 3βH-glycyrrhetinic acid | ChEBI |