| SpectraBase Spectrum ID |
4p9gpr94qzJ |
| Name |
3-Hydroxybenzoic acid |
| Acquisition Mode |
SIMULTANEOUS |
| CAS Registry Number |
99-06-9 |
| ChEBI ID |
30764 |
| Comments |
100 mM 3-hydroxybenzoic 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 O3 |
| IUPAC Name |
3-hydroxybenzoic acid |
| InChI |
InChI=1S/C7H6O3/c8-6-3-1-2-5(4-6)7(9)10/h1-4,8H,(H,9,10) |
| InChIKey |
IJFXRHURBJZNAO-UHFFFAOYSA-N |
| KEGG Compound ID |
C00587 |
| KEGG Pathways |
PATH: ko00362 Benzoate degradation via hydroxylation
PATH: ko00622 Toluene and xylene degradation
PATH: ko00623 2,4-Dichlorobenzoate degradation |
| PubChem Compound ID |
7420 |
| SMILES |
C1=CC(=CC(=C1)O)C(=O)O |
| Source File Reference |
bmse000324 |
