| Record Information |
|---|
| HMDB Status | Not Available |
|---|
| Creation Date | 2024-02-21 01:36:48 UTC |
|---|
| Update Date | 2025-03-21 19:59:10 UTC |
|---|
| HMDB ID | Not Available |
|---|
| Metabolite Identification |
|---|
| DeepMet ID | DMID00289408 |
|---|
| Frequency | 6.9 |
|---|
| Structure | |
|---|
| Chemical Formula | C6H6O3 |
|---|
| Molecular Mass | 126.0317 |
|---|
| SMILES | CC(=O)C1C=CC(=O)O1 |
|---|
| InChI Key | NGLMXYUFVVFZBQ-UHFFFAOYSA-N |
|---|
| Chemical Taxonomy |
|---|
| Kingdom | organic compounds |
|---|
| Superclass | organic oxygen compounds |
|---|
| Class | organooxygen compounds |
|---|
| Subclass | carbonyl compounds |
|---|
| Direct Parent | alpha-acyloxy ketones |
|---|
| Geometric Descriptor | aliphatic heteromonocyclic compounds |
|---|
| Alternative Parents | butenolidesdihydrofuransenoate estershydrocarbon derivativesketoneslactonesmonocarboxylic acids and derivativesorganic oxidesoxacyclic compounds |
|---|
| Substituents | enoate esteralpha-acyloxy ketonecarboxylic acid derivativeketonelactoneoxacyclealpha,beta-unsaturated carboxylic ester2-furanoneorganic oxidemonocarboxylic acid or derivativescarboxylic acid esteraliphatic heteromonocyclic compoundhydrocarbon derivativeorganoheterocyclic compounddihydrofuran |
|---|
