Dataset
![molecular Image]()
Glycyrrhizic acid
Chemical Info
| InChI | InChI=1S/C42H62O16/c1-37(2)21-8-11-42(7)31(20(43)16-18-19-17-39(4,36(53)54)13-12-38(19,3)14-15-41(18,42)6)40(21,5)10-9-22(37)55-35-30(26(47)25(46)29(57-35)33(51)52)58-34-27(48)23(44)24(45)28(56-34)32(49)50/h16,19,21-31,34-35,44-48H,8-15,17H2,1-7H3,(H,49,50)(H,51,52)(H,53,54)/t19-,21-,22-,23-,24-,25-,26-,27+,28-,29-,30+,31+,34-,35-,38+,39-,40-,41+,42+/m0/s1 |
|---|---|
| SMILES | C[C@]12CC[C@](C[C@H]1C3=CC(=O)[C@@H]4[C@]5(CC[C@@H](C([C@@H]5CC[C@]4([C@@]3(CC2)C)C)(C)C)O[C@@H]6[C@@H]([C@H]([C@@H]([C@H](O6)C(=O)O)O)O)O[C@H]7[C@@H]([C@H]([C@@H]([C@H](O7)C(=O)O)O)O)O)C)(C)C(=O)O |
| InChI Key | LPLVUJXQOOQHMX-QWBHMCJMSA-N |
| Molecular Formula | C42H62O16 |
| Exact Mass | 822.404 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-BS003790 |
| Version | |
| Author | |
| Maintainer | |
| Language | |
| MetadataCreated | 2024-01-11T12:33:14.876664 |
| MetadataModified | 2024-01-11T12:33:15.040361 |
| MetadataPublished | 2017-12-01 |
| Field | Value |
|---|---|
| Measurement Technique | liquid chromatography-mass spectrometry |
| Measurement Variables |
| Data-Source Molecule ID | Data-Source |
|---|---|
| 15939 | ChEBI |
| 12014953 | PubChem: Drugs of the Future |
| CHEMBL441687 | ChEMBL |
| 30316177 | eMolecules |
| 6718806 | eMolecules |
| 60028429 | NMRShiftDB |
| GLYCYRRHIZIN | DailyMed |
| GLYCYRRHIZIN | clinicaltrials |
| GLYCYRRHIZIC ACID | clinicaltrials |
| 4688 | Guide to Pharmacology |
| J1.238F | Nikkaji |
| 50185127 | BindingDB |
| 1325 | DrugCentral |
| DTXSID8047006 | EPA CompTox Dashboard |
| GLYCYRRHIZINATE DIPOTASSIUM | clinicaltrials |
| GLYCYRRHIZIC ACID | rxnorm |
| GLYCYRRHETINIC ACID | rxnorm |
| DIPOTASSIUM GLYCYRRHIZINATE | clinicaltrials |
| DIPOTASSIUM GLYCYRRHIZATE | clinicaltrials |
| HY-N0184 | MedChemExpress |
| 4646 | Brenda |
| 15365 | Brenda |
| 45060 | Brenda |
| DB13751 | DrugBank |
| MTBLC15939 | Metabolights |
| 7205 | Brenda |
| 5309 | Brenda |
| ZINC000096015174 | ZINC |
| 14767124 | PubChem: Thomson Pharma |
| 14982 | PubChem |
| PD014506 | ProbesDrugs |
| 179224 | Brenda |
| 6FO62043WK | FDA SRS |
| 139014-59-8 | ACToR |
| Glycyrrhizic-acid | Selleck |
| 14889369 | PubChem: Thomson Pharma |
| MolPort-006-113-280 | MolPort |
| SCHEMBL17684 | SureChEMBL |
| The data in this table is sourced from UniChem at EBI. | |