| Record Information |
|---|
| HMDB Status | Not Available |
|---|
| Creation Date | 2024-02-21 15:15:45 UTC |
|---|
| Update Date | 2025-03-25 00:59:28 UTC |
|---|
| HMDB ID | Not Available |
|---|
| Metabolite Identification |
|---|
| DeepMet ID | DMID02237296 |
|---|
| Frequency | 0.5 |
|---|
| Structure | |
|---|
| Chemical Formula | C13H16O6 |
|---|
| Molecular Mass | 268.0947 |
|---|
| SMILES | O=C(CCc1ccc(O)c(O)c1)CCC(O)C(=O)O |
|---|
| InChI Key | MPNQVTQOICCDBJ-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 acids and derivativesbenzene and substituted derivativescarboxylic acidshydrocarbon derivativeshydroxy fatty acidsketonesmedium-chain fatty acidsmedium-chain hydroxy acids and derivativesmonocarboxylic acids and derivativesmonosaccharidesorganic oxidessecondary alcohols |
|---|
| Substituents | carbocyclic fatty acidmonocyclic benzene moietycarbonyl groupcarboxylic acidalpha-hydroxy acid1-hydroxy-2-unsubstituted benzenoidmonosaccharidecarboxylic acid derivativemedium-chain hydroxy acidketonesaccharideorganic oxidemedium-chain fatty acidhydroxy fatty acidalcoholhydroxy acid1-hydroxy-4-unsubstituted benzenoidaromatic homomonocyclic compoundmonocarboxylic acid or derivativesorganic oxygen compoundsecondary alcoholphenolhydrocarbon derivativebenzenoidorganooxygen compound |
|---|
