| SpectraBase Spectrum ID |
Jo4mP6ty0df |
| Name |
3-Methylcatechol |
| Acquisition Mode |
SIMULTANEOUS |
| CAS Registry Number |
488-17-5 |
| ChEBI ID |
18404 |
| Comments |
100 mM 3-Methylcatechol - 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 |
C7 H8 O2 |
| IUPAC Name |
3-methylbenzene-1,2-diol; 3-methylpyrocatechol |
| InChI |
InChI=1S/C7H8O2/c1-5-3-2-4-6(8)7(5)9/h2-4,8-9H,1H3 |
| InChIKey |
PGSWEKYNAOWQDF-UHFFFAOYSA-N |
| KEGG Compound ID |
C02923 |
| KEGG Pathways |
PATH: ko00622 Toluene and xylene degradation
PATH: ko00624 1- and 2-Methylnaphthalene degradation |
| PubChem Compound ID |
340 |
| SMILES |
CC1=C(C(=CC=C1)O)O |
| Source File Reference |
bmse000334 |
