| SpectraBase Spectrum ID |
2qLroy117Qq |
| Name |
Vanillic acid |
| Acquisition Mode |
SIMULTANEOUS |
| CAS Registry Number |
121-34-6 |
| ChEBI ID |
30816 |
| Comments |
100 mM vanillic 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 |
C8 H8 O4 |
| IUPAC Name |
4-hydroxy-3-methoxybenzoic acid; 4-hydroxy-3-methoxy-benzoic acid |
| InChI |
InChI=1S/C8H8O4/c1-12-7-4-5(8(10)11)2-3-6(7)9/h2-4,9H,1H3,(H,10,11) |
| InChIKey |
WKOLLVMJNQIZCI-UHFFFAOYSA-N |
| KEGG Compound ID |
C06672 |
| KEGG Pathways |
PATH: ko00623 2,4-Dichlorobenzoate degradation |
| PubChem Compound ID |
8468 |
| SMILES |
COC1=C(C=CC(=C1)C(=O)O)O |
| Source File Reference |
bmse000486 |
