| SpectraBase Spectrum ID |
AAB8qgcOC9R |
| Name |
4-Nitrocatechol |
| Acquisition Mode |
SIMULTANEOUS |
| CAS Registry Number |
3316-09-4 |
| ChEBI ID |
16318 |
| Comments |
100 mM 4-Nitrocatechol - Aldrich N1,555-3; 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 |
C6 H5 N O4 |
| IUPAC Name |
4-nitrobenzene-1,2-diol |
| InChI |
InChI=1S/C6H5NO4/c8-5-2-1-4(7(10)11)3-6(5)9/h1-3,8-9H |
| InChIKey |
XJNPNXSISMKQEX-UHFFFAOYSA-N |
| KEGG Compound ID |
C02235 |
| KEGG Pathways |
PATH: map00361 gamma-Hexachlorocyclohexane degradation |
| PubChem Compound ID |
1751 |
| SMILES |
C1=CC(=C(C=C1[N+](=O)[O-])O)O |
| Source File Reference |
bmse000265 |
