Dataset
![molecular Image]()
Bentazone
Chemical Info
| InChI | InChI=1S/C10H12N2O3S/c1-7(2)12-10(13)8-5-3-4-6-9(8)11-16(12,14)15/h3-7,11H,1-2H3 |
|---|---|
| SMILES | CC(C)N1C(=O)C2C=CC=CC=2NS1(=O)=O |
| InChI Key | ZOMSMJKLGFBRBS-UHFFFAOYSA-N |
| Molecular Formula | C10H12N2O3S |
| Exact Mass | 240.057 g/mol |
Data and Resources
Metadata Information
| Field | Value |
|---|---|
| DOI | |
| License URL | |
| Source | https://massbank.eu/MassBank/RecordDisplay?id=MSBNK-AGILENT-AG000063 |
| Version | |
| Author | |
| Maintainer | |
| Language | |
| MetadataCreated | 2024-01-11T09:29:11.862941 |
| MetadataModified | 2024-01-11T09:29:12.014154 |
| MetadataPublished | 2023-02-17 |
| Field | Value |
|---|---|
| Measurement Technique | liquid chromatography-mass spectrometry |
| Measurement Variables |
| Data-Source Molecule ID | Data-Source |
|---|---|
| J1.875I | Nikkaji |
| HY-B2039 | MedChemExpress |
| 3018 | ChEBI |
| FAXVAB | CCDC |
| HMDB0248965 | Human Metabolome Database |
| DTXSID0023901 | EPA CompTox Dashboard |
| C10965 | KEGG Ligand |
| CHEMBL1567045 | ChEMBL |
| R4S7ZGZ9CT | FDA SRS |
| LSM-20931 | LINCS |
| 14843960 | PubChem: Thomson Pharma |
| 12705-05-4 | ACToR |
| 25057-89-0 | ACToR |
| SCHEMBL53939 | SureChEMBL |
| 2328 | PubChem |
| 20209213 | NMRShiftDB |
| 509566 | eMolecules |
| ZINC000095630288 | ZINC |
| 135702 | Brenda |
| 135965 | Brenda |
| CB7235319 | ChemicalBook |
| The data in this table is sourced from UniChem at EBI. | |