Dataset
![molecular Image]()
Asiatic acid
Chemical Info
| InChI | InChI=1S/C30H48O5/c1-17-9-12-30(25(34)35)14-13-28(5)19(23(30)18(17)2)7-8-22-26(3)15-20(32)24(33)27(4,16-31)21(26)10-11-29(22,28)6/h7,17-18,20-24,31-33H,8-16H2,1-6H3,(H,34,35)/t17-,18+,20-,21-,22-,23+,24+,26+,27+,28-,29-,30+/m1/s1 |
|---|---|
| SMILES | C[C@@H]1CC[C@@]2(CC[C@@]3(C(=CC[C@H]4[C@]3(CC[C@@H]5[C@@]4(C[C@H]([C@@H]([C@@]5(C)CO)O)O)C)C)[C@@H]2[C@H]1C)C)C(=O)O |
| InChI Key | JXSVIVRDWWRQRT-UYDOISQJSA-N |
| Molecular Formula | C30H48O5 |
| Exact Mass | 488.350 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-BS003823 |
| Version | |
| Author | |
| Maintainer | |
| Language | |
| MetadataCreated | 2024-01-11T12:33:42.516836 |
| MetadataModified | 2024-01-11T12:33:42.694011 |
| MetadataPublished | 2017-12-01 |
| Field | Value |
|---|---|
| Measurement Technique | liquid chromatography-mass spectrometry |
| Measurement Variables |
| Data-Source Molecule ID | Data-Source |
|---|---|
| CHEMBL404313 | ChEMBL |
| C08617 | KEGG Ligand |
| 0AS | PDBe |
| 56310577 | PubChem: Drugs of the Future |
| 10141777 | eMolecules |
| 30152166 | eMolecules |
| 60028577 | NMRShiftDB |
| PD019446 | ProbesDrugs |
| 15406443 | PubChem: Thomson Pharma |
| Asiatic-acid | Selleck |
| 9PA5A687X5 | FDA SRS |
| 2873 | ChEBI |
| MCULE-1974040943 | Mcule |
| SCHEMBL3285999 | SureChEMBL |
| J11.338G | Nikkaji |
| 119034 | PubChem |
| CB5109340 | ChemicalBook |
| DB14054 | DrugBank |
| 147261 | Brenda |
| MTBLC2873 | Metabolights |
| 50241487 | BindingDB |
| HY-N0194 | MedChemExpress |
| ZINC000008221271 | ZINC |
| ASIATIC ACID | rxnorm |
| The data in this table is sourced from UniChem at EBI. | |