| SpectraBase Spectrum ID |
BapfTT0c8Ss |
| Name |
2,5-Dihydroxybenzoic acid |
| Acquisition Mode |
SIMULTANEOUS |
| CAS Registry Number |
4955-90-2 ; 490-79-9 |
| ChEBI ID |
17189 |
| Comments |
100 mM 2,5-DIHYDROXYBENZOIC ACID - Sigma-Aldrich
Solvent D2O Buffer sodium phosphate Cytocide sodium azide Reference DSS; pH 7.4, temperature 298 K |
| Copyright |
Database Compilation Copyright © 2021-2024 John Wiley & Sons, Inc. All Rights Reserved. |
| Data Source |
Madison Metabolomics Consortium |
| Formula |
C7 H6 O4 |
| IUPAC Name |
2,5-dihydroxybenzoic acid |
| InChI |
InChI=1S/C7H6O4/c8-4-1-2-6(9)5(3-4)7(10)11/h1-3,8-9H,(H,10,11) |
| InChIKey |
WXTMDXOMEHJXQO-UHFFFAOYSA-N |
| KEGG Compound ID |
C00628 |
| KEGG Pathways |
PATH: ko00350 Tyrosine metabolism
PATH: ko00362 Benzoate degradation via hydroxylation
PATH: ko00626 Naphthalene and anthracene degradation |
| PubChem Compound ID |
3469 |
| SMILES |
C1=CC(=C(C=C1O)C(=O)O)O |
| Source File Reference |
bmse000326 |
