Dataset
![molecular Image]()
18-Beta-glycyrrhetinic acid
Chemical Info
| 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 |
|---|---|
| SMILES | C([C@]12C(C([C@@](C([C@@]1([H])C3=C(C(=O)C4([C@]5(C(C([C@@]([H])(C([C@]5([H])C(C([C@]4([C@@]3(C(C2([H])[H])([H])[H])C([H])([H])[H])C([H])([H])[H])([H])[H])([H])[H])(C([H])([H])[H])C([H])([H])[H])O[H])([H])[H])([H])[H])C([H])([H])[H])[H])[H])([H])[H])(C([H])([H])[H])C(=O)O[H])([H])[H])([H])[H])([H])([H])[H] |
| InChI Key | MPDGHEJMBKOTSU-YKLVYJNSSA-N |
| Molecular Formula | C30H46O4 |
| Exact Mass | 470.340 g/mol |
Data and Resources
Metadata Information
| Field | Value |
|---|---|
| DOI | |
| License URL | https://creativecommons.org/licenses/by-nc-sa/4.0 |
| Source | https://massbank.eu/MassBank/RecordDisplay?id=MSBNK-BS-BS003180 |
| Version | |
| Author | |
| Maintainer | |
| Language | |
| MetadataCreated | 2024-01-11T12:34:09.048706 |
| MetadataModified | 2024-01-11T12:34:09.209632 |
| MetadataPublished | 2017-12-01 |
| Field | Value |
|---|---|
| Measurement Technique | liquid chromatography-mass spectrometry |
| Measurement Variables |
| Data-Source Molecule ID | Data-Source |
|---|---|
| 12015480 | PubChem: Drugs of the Future |
| CHEMBL230006 | ChEMBL |
| 30853 | ChEBI |
| C02283 | KEGG Ligand |
| 29537151 | eMolecules |
| 515584 | eMolecules |
| 3178 | DrugCentral |
| LMPR0106150014 | LipidMaps |
| ZINC000019203131 | ZINC |
| 50233538 | BindingDB |
| GLYCYRRHETINIC ACID | clinicaltrials |
| DTXSID9020669 | EPA CompTox Dashboard |
| 11264 | Guide to Pharmacology |
| HY-N0180 | MedChemExpress |
| ENOXOLONE | clinicaltrials |
| 10114 | PubChem |
| CBW | PDBe |
| 74601 | Brenda |
| DB13089 | DrugBank |
| 20746 | Brenda |
| MTBLC30853 | Metabolights |
| 1975 | Brenda |
| 11971 | Brenda |
| CB8474793 | ChemicalBook |
| 48866 | Brenda |
| 60022121 | NMRShiftDB |
| PD014316 | ProbesDrugs |
| 14932021 | PubChem: Thomson Pharma |
| 107420-91-7 | ACToR |
| Enoxolone(Glycyrrhetin) | Selleck |
| 14834307 | PubChem: Thomson Pharma |
| P540XA09DR | FDA SRS |
| J5.943I | Nikkaji |
| SCHEMBL18540 | SureChEMBL |
| MCULE-4676598997 | Mcule |
| FULJIG | CCDC |
| The data in this table is sourced from UniChem at EBI. | |