| SpectraBase Spectrum ID |
KyXBS9FKN8V |
| Name |
4-Hydroxybenzaldehyde |
| Acquisition Mode |
SIMULTANEOUS |
| CAS Registry Number |
123-08-0 |
| ChEBI ID |
17597 |
| Comments |
Saturated 1 4-Hydroxybenzaldehyde - Aldrich 14,408-8; 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 O2 |
| IUPAC Name |
4-hydroxybenzaldehyde |
| InChI |
InChI=1S/C7H6O2/c8-5-6-1-3-7(9)4-2-6/h1-5,9H |
| InChIKey |
RGHHSNMVTDWUBI-UHFFFAOYSA-N |
| KEGG Compound ID |
C00633 |
| KEGG Pathways |
PATH: map00362 Benzoate degradation via hydroxylation
PATH: map00363 Bisphenol A degradation
PATH: map00622 Toluene and xylene degradation |
| PubChem Compound ID |
126 |
| SMILES |
C1=CC(=CC=C1C=O)O |
| Source File Reference |
bmse000259 |
