| Record Information |
|---|
| HMDB Status | Not Available |
|---|
| Creation Date | 2024-02-21 00:20:09 UTC |
|---|
| Update Date | 2025-03-21 18:36:27 UTC |
|---|
| HMDB ID | Not Available |
|---|
| Metabolite Identification |
|---|
| DeepMet ID | DMID00110724 |
|---|
| Frequency | 24.1 |
|---|
| Structure | |
|---|
| Chemical Formula | C7H8O5 |
|---|
| Molecular Mass | 172.0372 |
|---|
| SMILES | O=C1C=CC(C(O)CO)OC1=O |
|---|
| InChI Key | AXFSQLBFGGHDJJ-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 | 1,2-diolscarboxylic acid esterscyclic ketoneshydrocarbon derivativeslactonesmonocarboxylic acids and derivativesorganic oxidesoxacyclic compoundsprimary alcoholssecondary alcohols |
|---|
| Substituents | alcoholcarbonyl groupdihydropyranonecyclic ketonecarboxylic acid derivativeketonelactoneoxacycleorganic oxidemonocarboxylic acid or derivativesorganic oxygen compoundcarboxylic acid esteraliphatic heteromonocyclic compoundsecondary alcoholhydrocarbon derivativeprimary alcoholorganooxygen compound1,2-diol |
|---|
