| Record Information |
|---|
| HMDB Status | Not Available |
|---|
| Creation Date | 2024-02-21 00:08:57 UTC |
|---|
| Update Date | 2025-03-21 18:30:55 UTC |
|---|
| HMDB ID | Not Available |
|---|
| Metabolite Identification |
|---|
| DeepMet ID | DMID00083673 |
|---|
| Frequency | 34.4 |
|---|
| Structure | |
|---|
| Chemical Formula | C9H12O6 |
|---|
| Molecular Mass | 216.0634 |
|---|
| SMILES | O=C(O)CC1(O)C=CC(O)(CC(=O)O)C1 |
|---|
| InChI Key | CXYBACOFDNGZIL-UHFFFAOYSA-N |
|---|
| Chemical Taxonomy |
|---|
| Kingdom | organic compounds |
|---|
| Superclass | organic acids and derivatives |
|---|
| Class | carboxylic acids and derivatives |
|---|
| Subclass | dicarboxylic acids and derivatives |
|---|
| Direct Parent | dicarboxylic acids and derivatives |
|---|
| Geometric Descriptor | aliphatic homomonocyclic compounds |
|---|
| Alternative Parents | carbonyl compoundscarboxylic acidshydrocarbon derivativesorganic oxidestertiary alcohols |
|---|
| Substituents | alcoholcarbonyl grouptertiary alcoholorganic oxidecarboxylic acidorganic oxygen compoundaliphatic homomonocyclic compounddicarboxylic acid or derivativeshydrocarbon derivativeorganooxygen compound |
|---|
