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CHEBI:42094 - 2,4-dihydroxybenzoic acid
| Formula | C7H6O4 |
| Net Charge | 0 |
| Average Mass | 154.121 |
| Monoisotopic Mass | 154.02661 |
| SMILES | O=C(O)c1ccc(O)cc1O |
| InChI | InChI=1S/C7H6O4/c8-4-1-2-5(7(10)11)6(9)3-4/h1-3,8-9H,(H,10,11) |
| InChIKey | UIAFKZKHHVMJGS-UHFFFAOYSA-N |
| Wikipedia |
|---|
| Species of Metabolite | Component | Source | Comments |
|---|---|---|---|
| Homo sapiens (ncbitaxon:9606) | urine (BTO:0001419) | PubMed (12771321) |
| Roles Classification |
|---|
| Chemical Role: | Bronsted acid A molecular entity capable of donating a hydron to an acceptor (Brønsted base). |
| Biological Roles: | flavouring agent A food additive that is used to added improve the taste or odour of a food. plant metabolite Any eukaryotic metabolite produced during a metabolic reaction in plants, the kingdom that include flowering plants, conifers and other gymnosperms. human urinary metabolite Any metabolite (endogenous or exogenous) found in human urine samples. |
| Application: | flavouring agent A food additive that is used to added improve the taste or odour of a food. |
| ChEBI Ontology |
|---|
| Outgoing Relation(s) |
| 2,4-dihydroxybenzoic acid (CHEBI:42094) has role flavouring agent (CHEBI:35617) |
| 2,4-dihydroxybenzoic acid (CHEBI:42094) has role human urinary metabolite (CHEBI:84087) |
| 2,4-dihydroxybenzoic acid (CHEBI:42094) has role plant metabolite (CHEBI:76924) |
| 2,4-dihydroxybenzoic acid (CHEBI:42094) is a dihydroxybenzoic acid (CHEBI:23778) |
| 2,4-dihydroxybenzoic acid (CHEBI:42094) is a monocarboxylic acid (CHEBI:25384) |
| 2,4-dihydroxybenzoic acid (CHEBI:42094) is a resorcinols (CHEBI:33572) |
| 2,4-dihydroxybenzoic acid (CHEBI:42094) is conjugate acid of 2,4-dihydroxybenzoate (CHEBI:231556) |
| Incoming Relation(s) |
| 2,4-dihydroxybenzoate (CHEBI:231556) is conjugate base of 2,4-dihydroxybenzoic acid (CHEBI:42094) |
| IUPAC Name |
|---|
| 2,4-dihydroxybenzoic acid |
| Synonyms | Source |
|---|---|
| β-resorcylic acid | NIST Chemistry WebBook |
| β-resorcinolic acid | NIST Chemistry WebBook |
| 2,4-DHBA | HMDB |
| 4-carboxyresorcinol | NIST Chemistry WebBook |
| 2,4-dihydroxy-benzoic acid | HMDB |
| FEMA 3798 | HMDB |
| Manual Xrefs | Databases |
|---|---|
| DOB | PDBeChem |
| HMDB0029666 | HMDB |
| C00033542 | KNApSAcK |
| FDB000842 | FooDB |
| DB02839 | DrugBank |
| 2,4-Dihydroxybenzoic_acid | Wikipedia |
| Registry Numbers | Sources |
|---|---|
| Reaxys:1946213 | Reaxys |
| CAS:89-86-1 | NIST Chemistry WebBook |
| Citations |
|---|