Dataset
![molecular Image]()
Dicamba
Chemical Info
| InChI | InChI=1S/C8H6Cl2O3/c1-13-7-5(10)3-2-4(9)6(7)8(11)12/h2-3H,1H3,(H,11,12) |
|---|---|
| SMILES | COC1=C(Cl)C=CC(Cl)=C1C(O)=O |
| InChI Key | IWEDIXLBFLAXBO-UHFFFAOYSA-N |
| Molecular Formula | C8H6Cl2O3 |
| Exact Mass | 219.969 g/mol |
Data and Resources
Metadata Information
| Field | Value |
|---|---|
| DOI | |
| License URL | https://creativecommons.org/licenses/by-sa/4.0 |
| Source | https://massbank.eu/MassBank/RecordDisplay?id=MSBNK-Eawag-EQ00027506 |
| Version | |
| Author | |
| Maintainer | |
| Language | |
| MetadataCreated | 2025-02-09T10:06:35.574867 |
| MetadataModified | 2025-02-09T10:06:35.750189 |
| MetadataPublished | 2024-06-14 |
| Related Molecule |
| Field | Value |
|---|---|
| Measurement Technique | liquid chromatography-mass spectrometry |
| Measurement Variables |
| Data-Source Molecule ID | Data-Source |
|---|---|
| 509714 | eMolecules |
| dicamba | Atlas |
| SJG3M6RY6H | FDA SRS |
| 15488664 | PubChem: Thomson Pharma |
| 62610-39-3 | ACToR |
| 1918-00-9 | ACToR |
| 57083 | Brenda |
| CB5458633 | ChemicalBook |
| MCULE-7734465675 | Mcule |
| 3030 | PubChem |
| 20206212 | NMRShiftDB |
| SCHEMBL18336 | SureChEMBL |
| CHEMBL476936 | ChEMBL |
| D3M | PDBe |
| C18597 | KEGG Ligand |
| 81856 | ChEBI |
| HMDB0251180 | Human Metabolome Database |
| J3.382K | Nikkaji |
| ZINC000000126322 | ZINC |
| DTXSID4024018 | EPA CompTox Dashboard |
| CITKEV | CCDC |
| VANQUISH | rxnorm |
| The data in this table is sourced from UniChem at EBI. | |