| SpectraBase Spectrum ID |
LXEkMkWnqRU |
| Name |
Salicylate |
| Acquisition Mode |
SIMULTANEOUS |
| CAS Registry Number |
7681-06-3
8052-31-1
69-72-7 |
| ChEBI ID |
16914 |
| Comments |
100 mM Salicylate - Mallinckrodt 2020KAAA; 100 % D2O 50 mM sodium phosphate 500 uM sodium azide 500 uM 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 - Qiu Cui, Ian Lewis, Mark E. Anderson, John L. Markley. |
| Formula |
C7 H6 O3 |
| IUPAC Name |
2-hydroxybenzoic acid |
| InChI |
InChI=1S/C7H6O3/c8-6-4-2-1-3-5(6)7(9)10/h1-4,8H,(H,9,10) |
| InChIKey |
YGSDEFSMJLZEOE-UHFFFAOYSA-N |
| KEGG Compound ID |
C00805 |
| KEGG Pathways |
PATH: map00624 1- and 2-Methylnaphthalene degradation
PATH: map00626 Nitrobenzene degradation
PATH: map00628 Fluorene degradation
PATH: map01053 Biosynthesis of siderophore group nonribosomal
Peptides |
| PubChem Compound ID |
338 |
| SMILES |
C1=CC=C(C(=C1)C(=O)O)O |
| Source File Reference |
bmse000252 |
