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CHEBI:81856 - dicamba
| Formula | C8H6Cl2O3 |
| Net Charge | 0 |
| Average Mass | 221.039 |
| Monoisotopic Mass | 219.96940 |
| SMILES | COc1c(Cl)ccc(Cl)c1C(=O)O |
| InChI | InChI=1S/C8H6Cl2O3/c1-13-7-5(10)3-2-4(9)6(7)8(11)12/h2-3H,1H3,(H,11,12) |
| InChIKey | IWEDIXLBFLAXBO-UHFFFAOYSA-N |
| Wikipedia |
|---|
| Roles Classification |
|---|
| Chemical Roles: | environmental contaminant Any minor or unwanted substance introduced into the environment that can have undesired effects. Bronsted acid A molecular entity capable of donating a hydron to an acceptor (Brønsted base). |
| Biological Roles: | xenobiotic A xenobiotic (Greek, xenos "foreign"; bios "life") is a compound that is foreign to a living organism. Principal xenobiotics include: drugs, carcinogens and various compounds that have been introduced into the environment by artificial means. synthetic auxin A synthetic compound exhibiting auxin activity. |
| Applications: | herbicide A substance used to destroy plant pests. agrochemical An agrochemical is a substance that is used in agriculture or horticulture. |
| ChEBI Ontology |
|---|
| Outgoing Relation(s) |
| dicamba (CHEBI:81856) has role agrochemical (CHEBI:33286) |
| dicamba (CHEBI:81856) has role environmental contaminant (CHEBI:78298) |
| dicamba (CHEBI:81856) has role herbicide (CHEBI:24527) |
| dicamba (CHEBI:81856) has role synthetic auxin (CHEBI:26841) |
| dicamba (CHEBI:81856) has role xenobiotic (CHEBI:35703) |
| dicamba (CHEBI:81856) is a dichlorobenzene (CHEBI:23697) |
| dicamba (CHEBI:81856) is a methoxybenzoic acid (CHEBI:25238) |
| dicamba (CHEBI:81856) is conjugate acid of 3,6-dichloro-2-methoxybenzoate (CHEBI:141349) |
| Incoming Relation(s) |
| dicamba-methyl (CHEBI:194161) has functional parent dicamba (CHEBI:81856) |
| 3,6-dichloro-2-methoxybenzoate (CHEBI:141349) is conjugate base of dicamba (CHEBI:81856) |
| IUPAC Name |
|---|
| 3,6-dichloro-2-methoxybenzoic acid |
| Synonym | Source |
|---|---|
| 3,6-dichloro-o-anisic acid | NIST Chemistry WebBook |
| Manual Xrefs | Databases |
|---|---|
| C18597 | KEGG COMPOUND |
| D3M | PDBeChem |
| US2014329681 | Patent |
| Dicamba | Wikipedia |
| dicamba | Alan Wood's Pesticides |
| 213 | PPDB |
| HMDB0251180 | HMDB |
| Citations |
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