| Record Information |
|---|
| HMDB Status | Not Available |
|---|
| Creation Date | 2024-02-21 02:03:01 UTC |
|---|
| Update Date | 2025-03-21 20:46:03 UTC |
|---|
| HMDB ID | Not Available |
|---|
| Metabolite Identification |
|---|
| DeepMet ID | DMID00350114 |
|---|
| Frequency | 5.4 |
|---|
| Structure | |
|---|
| Chemical Formula | C5H6O4 |
|---|
| Molecular Mass | 130.0266 |
|---|
| SMILES | O=C(O)C1=COCC1O |
|---|
| InChI Key | ZEQMLERVSULMHK-UHFFFAOYSA-N |
|---|
| Chemical Taxonomy |
|---|
| Kingdom | organic compounds |
|---|
| Superclass | organic acids and derivatives |
|---|
| Class | hydroxy acids and derivatives |
|---|
| Subclass | beta hydroxy acids and derivatives |
|---|
| Direct Parent | beta hydroxy acids and derivatives |
|---|
| Geometric Descriptor | aliphatic heteromonocyclic compounds |
|---|
| Alternative Parents | carbonyl compoundscarboxylic acidsdihydrofuranshydrocarbon derivativesmonocarboxylic acids and derivativesorganic oxidesoxacyclic compoundssecondary alcoholsvinylogous esters |
|---|
| Substituents | alcoholcarbonyl groupcarboxylic acidvinylogous estercarboxylic acid derivativeoxacyclebeta-hydroxy acidorganic oxidemonocarboxylic acid or derivativesorganic oxygen compoundaliphatic heteromonocyclic compoundsecondary alcoholhydrocarbon derivativeorganoheterocyclic compoundorganooxygen compounddihydrofuran |
|---|
