| Record Information |
|---|
| HMDB Status | Not Available |
|---|
| Creation Date | 2024-02-21 14:53:23 UTC |
|---|
| Update Date | 2025-03-25 00:51:19 UTC |
|---|
| HMDB ID | Not Available |
|---|
| Metabolite Identification |
|---|
| DeepMet ID | DMID02186197 |
|---|
| Frequency | 0.5 |
|---|
| Structure | |
|---|
| Chemical Formula | C12H12O6 |
|---|
| Molecular Mass | 252.0634 |
|---|
| SMILES | O=C(CCC(=O)C(=O)O)Cc1cc(O)cc(O)c1 |
|---|
| InChI Key | PHOBYPMVHDOKAI-UHFFFAOYSA-N |
|---|
| Chemical Taxonomy |
|---|
| Kingdom | organic compounds |
|---|
| Superclass | lipids and lipid-like molecules |
|---|
| Class | fatty acyls |
|---|
| Subclass | fatty acids and conjugates |
|---|
| Direct Parent | carbocyclic fatty acids |
|---|
| Geometric Descriptor | aromatic homomonocyclic compounds |
|---|
| Alternative Parents | 1-hydroxy-2-unsubstituted benzenoids1-hydroxy-4-unsubstituted benzenoidsalpha-hydroxy ketonesalpha-keto acids and derivativesbenzene and substituted derivativescarboxylic acidsfatty acylshydrocarbon derivativeshydroxy fatty acidsmedium-chain keto acids and derivativesmonocarboxylic acids and derivativesorganic oxidesresorcinols |
|---|
| Substituents | carbocyclic fatty acidmonocyclic benzene moietycarbonyl groupcarboxylic acid1-hydroxy-2-unsubstituted benzenoid1-hydroxy-4-unsubstituted benzenoidalpha-hydroxy ketonecarboxylic acid derivativeresorcinolketonearomatic homomonocyclic compoundorganic oxidemonocarboxylic acid or derivativesorganic oxygen compoundketo acidalpha-keto acidphenolhydrocarbon derivativehydroxy fatty acidbenzenoidorganooxygen compoundmedium-chain keto acid |
|---|
