| SpectraBase Spectrum ID |
5Y2lCnwLSMc |
| Name |
3,4-Dihydroxybenzoic acid |
| Acquisition Mode |
SIMULTANEOUS |
| CAS Registry Number |
99-50-3 |
| ChEBI ID |
36062 |
| Comments |
100 mM 3,4-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 |
3,4-dihydroxybenzoic acid |
| InChI |
InChI=1S/C7H6O4/c8-5-2-1-4(7(10)11)3-6(5)9/h1-3,8-9H,(H,10,11) |
| InChIKey |
YQUVCSBJEUQKSH-UHFFFAOYSA-N |
| KEGG Compound ID |
C00230 |
| KEGG Pathways |
PATH: ko00362 Benzoate degradation via hydroxylation
PATH: ko00400 Phenylalanine, tyrosine and tryptophan biosynthesis
PATH: ko00623 2,4-Dichlorobenzoate degradation |
| PubChem Compound ID |
72 |
| SMILES |
C1=CC(=C(C=C1C(=O)O)O)O |
| Source File Reference |
bmse000328 |
