| Record Information |
|---|
| HMDB Status | Not Available |
|---|
| Creation Date | 2024-02-21 00:59:40 UTC |
|---|
| Update Date | 2025-03-21 18:55:12 UTC |
|---|
| HMDB ID | Not Available |
|---|
| Metabolite Identification |
|---|
| DeepMet ID | DMID00203490 |
|---|
| Frequency | 10.9 |
|---|
| Structure | |
|---|
| Chemical Formula | C7H10O3 |
|---|
| Molecular Mass | 142.063 |
|---|
| SMILES | CC(O)C1CC=CC(=O)O1 |
|---|
| InChI Key | CEXMHXSQGBAUIE-UHFFFAOYSA-N |
|---|
| Chemical Taxonomy |
|---|
| Kingdom | organic compounds |
|---|
| Superclass | organoheterocyclic compounds |
|---|
| Class | pyrans |
|---|
| Subclass | pyranones and derivatives |
|---|
| Direct Parent | dihydropyranones |
|---|
| Geometric Descriptor | aliphatic heteromonocyclic compounds |
|---|
| Alternative Parents | carbonyl compoundsenoate estershydrocarbon derivativeslactonesmonocarboxylic acids and derivativesorganic oxidesoxacyclic compoundssecondary alcohols |
|---|
| Substituents | enoate esteralcoholcarbonyl groupdihydropyranonecarboxylic acid derivativelactoneoxacyclealpha,beta-unsaturated carboxylic esterorganic oxidemonocarboxylic acid or derivativesorganic oxygen compoundcarboxylic acid esteraliphatic heteromonocyclic compoundsecondary alcoholhydrocarbon derivativeorganooxygen compound |
|---|
