Dataset
![molecular Image]()
Boscalid
Chemical Info
| InChI | InChI=1S/C18H12Cl2N2O/c19-13-9-7-12(8-10-13)14-4-1-2-6-16(14)22-18(23)15-5-3-11-21-17(15)20/h1-11H,(H,22,23) |
|---|---|
| SMILES | ClC1=CC=C(C=C1)C1=CC=CC=C1NC(=O)C1=CC=CN=C1Cl |
| InChI Key | WYEMLYFITZORAB-UHFFFAOYSA-N |
| Molecular Formula | C18H12Cl2N2O |
| Exact Mass | 342.033 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-UF406003 |
| Version | |
| Author | |
| Maintainer | |
| Language | |
| MetadataCreated | 2024-01-11T21:57:08.423430 |
| MetadataModified | 2025-02-09T19:50:05.181434 |
| MetadataPublished | 2017-01-05 |
| Field | Value |
|---|---|
| Measurement Technique | liquid chromatography-mass spectrometry |
| Measurement Variables |
| Data-Source Molecule ID | Data-Source |
|---|---|
| CB4201139 | ChemicalBook |
| ZINC000003612929 | ZINC |
| DB12792 | DrugBank |
| 26582 | Brenda |
| SCHEMBL18517 | SureChEMBL |
| 213013 | PubChem |
| PD058464 | ProbesDrugs |
| 32MS8ZRD1V | FDA SRS |
| 14827316 | PubChem: Thomson Pharma |
| 54494-12-1 | ACToR |
| 188425-85-6 | ACToR |
| 81822 | ChEBI |
| 499074 | eMolecules |
| CHEMBL1076544 | ChEMBL |
| C18547 | KEGG Ligand |
| J1.989.940C | Nikkaji |
| HMDB0249353 | Human Metabolome Database |
| NOZKOF | CCDC |
| DTXSID6034392 | EPA CompTox Dashboard |
| ENDURA | clinicaltrials |
| BOSCALID | rxnorm |
| The data in this table is sourced from UniChem at EBI. | |