Dataset
![molecular Image]()
Sulcotrione
Chemical Info
| InChI | InChI=1S/C14H13ClO5S/c1-21(19,20)8-5-6-9(10(15)7-8)14(18)13-11(16)3-2-4-12(13)17/h5-7,13H,2-4H2,1H3 |
|---|---|
| SMILES | CS(=O)(=O)C1=CC=C(C(=O)C2C(=O)CCCC2=O)C(Cl)=C1 |
| InChI Key | PQTBTIFWAXVEPB-UHFFFAOYSA-N |
| Molecular Formula | C14H13ClO5S |
| Exact Mass | 328.017 g/mol |
Data and Resources
Metadata Information
| Field | Value |
|---|---|
| DOI | |
| License URL | https://creativecommons.org/licenses/by/4.0 |
| Source | https://massbank.eu/MassBank/RecordDisplay?id=MSBNK-UFZ-UF401304 |
| Version | |
| Author | |
| Maintainer | |
| Language | |
| MetadataCreated | 2024-01-11T21:57:34.337358 |
| MetadataModified | 2025-02-09T19:48:33.406032 |
| MetadataPublished | 2017-01-05 |
| Related Molecule |
| Field | Value |
|---|---|
| Measurement Technique | liquid chromatography-mass spectrometry |
| Measurement Variables |
| Data-Source Molecule ID | Data-Source |
|---|---|
| 511204 | eMolecules |
| 91760 | PubChem |
| 16196048 | PubChem: Thomson Pharma |
| SCHEMBL55030 | SureChEMBL |
| 99105-77-8 | ACToR |
| 114680-61-4 | ACToR |
| 5UEH9SXW7V | FDA SRS |
| PD063848 | ProbesDrugs |
| 123174-48-1 | ACToR |
| CHEMBL2252422 | ChEMBL |
| HY-107368 | MedChemExpress |
| 50075318 | BindingDB |
| 83465 | ChEBI |
| HMDB0258570 | Human Metabolome Database |
| J660.087E | Nikkaji |
| 16758 | Brenda |
| 155079 | Brenda |
| 135217 | Brenda |
| ZINC000100004255 | ZINC |
| 5BQ | PDBe |
| DTXSID9058230 | EPA CompTox Dashboard |
| CB6710497 | ChemicalBook |
| The data in this table is sourced from UniChem at EBI. | |