| SpectraBase Spectrum ID |
JBCNuY74LS9 |
| Name |
Phenol |
| Acquisition Mode |
SIMULTANEOUS |
| CAS Registry Number |
50356-25-7
8002-07-1
108-95-2
14534-23-7
139-02-6 |
| ChEBI ID |
15582 |
| Comments |
100 mM Phenol; 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, Brendan Hodis, Mark E. Anderson, John L. Markley. |
| Formula |
C6 H6 O |
| IUPAC Name |
phenol |
| InChI |
InChI=1S/C6H6O/c7-6-4-2-1-3-5-6/h1-5,7H |
| InChIKey |
ISWSIDIOOBJBQZ-UHFFFAOYSA-N |
| KEGG Compound ID |
C00146 |
| KEGG Pathways |
PATH: map00350 Tyrosine metabolism
PATH: map00626 Nitrobenzene degradation
PATH: map00632 Benzoate degradation via CoA ligation |
| PubChem Compound ID |
996 |
| SMILES |
C1=CC=C(C=C1)O |
| Source File Reference |
bmse000290 |
