| Record Information |
|---|
| HMDB Status | Not Available |
|---|
| Creation Date | 2024-02-21 15:16:00 UTC |
|---|
| Update Date | 2025-03-25 00:59:33 UTC |
|---|
| HMDB ID | Not Available |
|---|
| Metabolite Identification |
|---|
| DeepMet ID | DMID02237841 |
|---|
| Frequency | 0.5 |
|---|
| Structure | |
|---|
| Chemical Formula | C9H12O6 |
|---|
| Molecular Mass | 216.0634 |
|---|
| SMILES | O=C1CC(O)(C(=O)O)C=CC1C(O)CO |
|---|
| InChI Key | SVRSCXPJKQDCID-UHFFFAOYSA-N |
|---|
| Chemical Taxonomy |
|---|
| Kingdom | organic compounds |
|---|
| Superclass | organic oxygen compounds |
|---|
| Class | organooxygen compounds |
|---|
| Subclass | carbonyl compounds |
|---|
| Direct Parent | cyclohexenones |
|---|
| Geometric Descriptor | aliphatic homomonocyclic compounds |
|---|
| Alternative Parents | alpha hydroxy acids and derivativescarboxylic acidshydrocarbon derivativesmonocarboxylic acids and derivativesorganic oxidesprimary alcoholssecondary alcoholstertiary alcohols |
|---|
| Substituents | alcoholcyclohexenonecarboxylic acidalpha-hydroxy acidhydroxy acidcarboxylic acid derivativetertiary alcoholorganic oxidemonocarboxylic acid or derivativessecondary alcoholaliphatic homomonocyclic compoundhydrocarbon derivativeprimary alcohol |
|---|
