| Record Information |
|---|
| HMDB Status | Not Available |
|---|
| Creation Date | 2024-02-21 00:24:46 UTC |
|---|
| Update Date | 2025-03-21 18:38:37 UTC |
|---|
| HMDB ID | Not Available |
|---|
| Metabolite Identification |
|---|
| DeepMet ID | DMID00121826 |
|---|
| Frequency | 21.2 |
|---|
| Structure | |
|---|
| Chemical Formula | C12H16O3 |
|---|
| Molecular Mass | 208.1099 |
|---|
| SMILES | CCCCC(C(=O)O)c1cccc(O)c1 |
|---|
| InChI Key | YUDGXLZZYFYHFD-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 benzenoidsbenzene and substituted derivativescarbonyl compoundscarboxylic acidshydrocarbon derivativeshydroxy fatty acidsmedium-chain fatty acidsmedium-chain hydroxy acids and derivativesmonocarboxylic acids and derivativesorganic oxides |
|---|
| Substituents | carbocyclic fatty acidmonocyclic benzene moietycarbonyl groupcarboxylic acid1-hydroxy-2-unsubstituted benzenoid1-hydroxy-4-unsubstituted benzenoidcarboxylic acid derivativemedium-chain hydroxy acidaromatic homomonocyclic compoundorganic oxidemonocarboxylic acid or derivativesorganic oxygen compoundphenolhydrocarbon derivativemedium-chain fatty acidhydroxy fatty acidbenzenoidorganooxygen compound |
|---|
