Dataset
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 |
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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 |
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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 |
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Measurement Technique | liquid chromatography-mass spectrometry |
Measurement Variables |
Data-Source Molecule ID | Data-Source |
---|---|
20746 | Brenda |
1975 | Brenda |
11971 | Brenda |
CB8474793 | ChemicalBook |
CBW | PDBe |
10114 | PubChem |
74601 | Brenda |
ZINC000019203131 | ZINC |
MTBLC30853 | Metabolights |
DB13089 | DrugBank |
48866 | Brenda |
60022121 | NMRShiftDB |
PD014316 | ProbesDrugs |
P540XA09DR | FDA SRS |
107420-91-7 | ACToR |
Enoxolone(Glycyrrhetin) | Selleck |
14834307 | PubChem: Thomson Pharma |
14932021 | PubChem: Thomson Pharma |
SCHEMBL18540 | SureChEMBL |
MCULE-4676598997 | Mcule |
29537151 | eMolecules |
515584 | eMolecules |
CHEMBL230006 | ChEMBL |
30853 | ChEBI |
C02283 | KEGG Ligand |
12015480 | PubChem: Drugs of the Future |
50233538 | BindingDB |
ENOXOLONE | clinicaltrials |
GLYCYRRHETINIC ACID | clinicaltrials |
11264 | Guide to Pharmacology |
HY-N0180 | MedChemExpress |
FULJIG | CCDC |
DTXSID9020669 | EPA CompTox Dashboard |
LMPR0106150014 | LipidMaps |
3178 | DrugCentral |
J5.943I | Nikkaji |
The data in this table is sourced from UniChem at EBI. |