| SpectraBase Spectrum ID |
11Mdm3Nv79g |
| Name |
Gallic acid |
| Acquisition Mode |
SIMULTANEOUS |
| CAS Registry Number |
149-91-7 |
| ChEBI ID |
30778 |
| Comments |
100 mM Gallic 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 O5 |
| IUPAC Name |
3,4,5-trihydroxybenzoic acid |
| InChI |
InChI=1S/C7H6O5/c8-4-1-3(7(11)12)2-5(9)6(4)10/h1-2,8-10H,(H,11,12) |
| InChIKey |
LNTHITQWFMADLM-UHFFFAOYSA-N |
| KEGG Compound ID |
C01424 |
| KEGG Pathways |
PATH: ko00362 Benzoate degradation via hydroxylation
PATH: ko00632 Benzoate degradation via CoA ligation |
| PubChem Compound ID |
370 |
| SMILES |
C1=C(C=C(C(=C1O)O)O)C(=O)O |
| Source File Reference |
bmse000389 |
