| Record Information |
|---|
| HMDB Status | Not Available |
|---|
| Creation Date | 2024-02-21 00:18:40 UTC |
|---|
| Update Date | 2025-03-21 18:35:45 UTC |
|---|
| HMDB ID | Not Available |
|---|
| Metabolite Identification |
|---|
| DeepMet ID | DMID00107111 |
|---|
| Frequency | 25.1 |
|---|
| Structure | |
|---|
| Chemical Formula | C6H9ClO6 |
|---|
| Molecular Mass | 212.0088 |
|---|
| SMILES | O=C(O)C1OC(O)C(Cl)C(O)C1O |
|---|
| InChI Key | VMSZZUKLMGTIRF-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 | 1,2-diolsalkyl chloridesbeta hydroxy acids and derivativescarbonyl compoundscarboxylic acidschlorohydrinshemiacetalshydrocarbon derivativesmonocarboxylic acids and derivativesmonosaccharidesorganic oxidesorganochloridesoxacyclic compoundsoxanessecondary alcohols |
|---|
| Substituents | carbonyl groupcarboxylic acidchlorohydrinalkyl chlorideorganochloridemonosaccharidecarboxylic acid derivativeorganohalogen compoundbeta-hydroxy acidsaccharideorganic oxidealiphatic heteromonocyclic compoundhemiacetalalkyl halideoxane1,2-diolalcoholpyran carboxylic acid or derivativeshalohydrinhydroxy acidoxacyclemonocarboxylic acid or derivativesorganic oxygen compoundsecondary alcoholhydrocarbon derivativeorganooxygen compound |
|---|
