| Record Information |
|---|
| Version | 1.0 |
|---|
| Creation date | 2018-04-10 11:51:35 UTC |
|---|
| Update date | 2018-04-27 10:33:05 UTC |
|---|
| FoodComEx ID | PC001081 |
|---|
| FoodDB Record | FDB000844 |
|---|
| Chemical Information |
|---|
| Name | Gentisic acid |
|---|
| Description | Gentisic acid is a dihydroxybenzoic acid. It is a crystalline powder that forms monoclinic prism in water solution. Gentisic acid is an active metabolite of salicylic acid degradation and also a byproduct of tyrosine and benzoate metabolism. Gentisic acid is found in many foods, some of which are common sage, common grape, nutmeg, and dill. |
|---|
| CAS Number | 490-79-9 |
|---|
| Structure | |
|---|
| Synonyms | | Synonym | Source |
|---|
| 2,5-Dihydroxybenzoate | ChEBI | | 2,5-Dihydroxybenzoic acid | ChEBI | | 2,5-Dioxybenzoate | HMDB | | 2,5-Dioxybenzoic acid | HMDB | | 3,6-Dihydroxybenzoate | HMDB | | 3,6-Dihydroxybenzoic acid | HMDB | | 5-Hydroxy-salicylate | HMDB | | 5-Hydroxy-salicylic acid | HMDB | | 5-Hydroxysalicylate | Generator | | 5-Hydroxysalicylic acid | db_source | | Carboxyhydroquinone | HMDB | | Dihydroxybenzoicacid | HMDB | | Gensigen | HMDB | | Gensigon | HMDB | | Gentisate | ChEBI | | Gentisic acid, 8CI, INN | db_source | | Gentisinate | HMDB | | Gentisinic acid | db_source | | Hydroquinonecarboxylate | Generator | | Hydroquinonecarboxylic acid | db_source | | Hydroxyquinonecarboxylic acid | db_source |
|
|---|
| Chemical Formula | C7H6O4 |
|---|
| IUPAC name | 2,5-dihydroxybenzoic acid |
|---|
| InChI Identifier | InChI=1S/C7H6O4/c8-4-1-2-6(9)5(3-4)7(10)11/h1-3,8-9H,(H,10,11) |
|---|
| InChI Key | WXTMDXOMEHJXQO-UHFFFAOYSA-N |
|---|
| Isomeric SMILES | OC(=O)C1=C(O)C=CC(O)=C1 |
|---|
| Average Molecular Weight | 154.121 |
|---|
| Monoisotopic Molecular Weight | 154.026608673 |
|---|
| Chemical Taxonomy |
|---|
| Class | Polyphenols |
|---|
| Family | Hydroxybenzoic acids |
|---|
| Physico-Chemical Properties - Experimental |
|---|
| Property | Value | Reference |
|---|
| Experimental logP | Not Available | |
|---|
| Experimental Water Solubility | Not Available | |
|---|
| Melting Point | Not Available | |
|---|
|
| Foods of Origin |
|---|
| Many foods, some of which are common sage, common grape, nutmeg, and dill. |
| Production Data |
|---|
| Production Method | commercial |
|---|
| Production Method Reference | Not Available |
|---|
| Production Method Reference File | Not Available |
|---|
| Quantity Available | 1 to 5 mg |
|---|
| Delivery Time | 2 weeks |
|---|
| Storage Form | powder |
|---|
| Storage Conditions | RT |
|---|
| Stability | Not Available |
|---|
| Purity | >98% |
|---|
| Spectra |
|---|
| Spectral Data Upon Request | Not Available |
|---|
| Provider Information |
|---|
| Contact Name | Contact Institution | Contact Email |
|---|
| Claudine Manach | INRAE, Human Nutrition, Research Center Clermont-Auvergne-Rhône-Alpes, Clermont-Ferrand, FR, F-63122 | claudine.manach@inra.fr |
|
| Commercial Vendors |
|---|
| AKSci | A423 |
|---|
| Glentham | GK7955 |
|---|
| MetaSci | HMDB0000152 |
|---|
| Sigma-Aldrich | HMDB0000152 |
|---|
| Toronto Research Chemicals | D451655 |
|---|
