| Record Information |
|---|
| HMDB Status | Not Available |
|---|
| Creation Date | 2024-02-21 02:07:45 UTC |
|---|
| Update Date | 2025-03-21 20:47:59 UTC |
|---|
| HMDB ID | Not Available |
|---|
| Metabolite Identification |
|---|
| DeepMet ID | DMID00361371 |
|---|
| Frequency | 5.2 |
|---|
| Structure | |
|---|
| Chemical Formula | C6H6O4 |
|---|
| Molecular Mass | 142.0266 |
|---|
| SMILES | O=C1C=COC(C(=O)O)C1 |
|---|
| InChI Key | CZXSBNPMHWVASU-UHFFFAOYSA-N |
|---|
| Chemical Taxonomy |
|---|
| Kingdom | organic compounds |
|---|
| Superclass | organoheterocyclic compounds |
|---|
| Class | pyrans |
|---|
| Subclass | pyran carboxylic acids and derivatives |
|---|
| Direct Parent | pyran carboxylic acids |
|---|
| Geometric Descriptor | aliphatic heteromonocyclic compounds |
|---|
| Alternative Parents | carboxylic acidscyclic ketonesdihydropyranoneshydrocarbon derivativesmonocarboxylic acids and derivativesorganic oxidesoxacyclic compoundsvinylogous esters |
|---|
| Substituents | carbonyl groupcarboxylic acidpyran carboxylic acid or derivativesdihydropyranonevinylogous estercyclic ketonecarboxylic acid derivativeketoneoxacycleorganic oxidemonocarboxylic acid or derivativesorganic oxygen compoundaliphatic heteromonocyclic compoundpyranonehydrocarbon derivativeorganooxygen compound |
|---|
