| SpectraBase Spectrum ID |
1TuA09gXW0X |
| Name |
3-Hydroxy-2-methyl-4-pyrone |
| Acquisition Mode |
SIMULTANEOUS |
| CAS Registry Number |
118-71-8 |
| Comments |
Saturated 3-hydroxy-2-methyl-4-pyrone - Sigma-Aldrich
Solvent CDCl3, temperature 298 K |
| Copyright |
Database Compilation Copyright © 2021-2024 John Wiley & Sons, Inc. All Rights Reserved. |
| Data Source |
Madison Metabolomics Consortium |
| Formula |
C6 H6 O3 |
| IUPAC Name |
3-hydroxy-2-methylpyran-4-one; 3-hydroxy-2-methyl-pyran-4-one; 3-hydroxy-2-methyl-4-pyranone |
| InChI |
InChI=1S/C6H6O3/c1-4-6(8)5(7)2-3-9-4/h2-3,8H,1H3 |
| InChIKey |
XPCTZQVDEJYUGT-UHFFFAOYSA-N |
| KEGG Compound ID |
C11918 |
| KEGG Pathways |
PATH: ko00523 Polyketide sugar unit biosynthesis |
| PubChem Compound ID |
8369 |
| SMILES |
CC1=C(C(=O)C=CO1)O |
| Source File Reference |
bmse000538 |
