| Record Information |
|---|
| HMDB Status | Not Available |
|---|
| Creation Date | 2024-02-21 00:24:36 UTC |
|---|
| Update Date | 2025-03-21 18:38:33 UTC |
|---|
| HMDB ID | Not Available |
|---|
| Metabolite Identification |
|---|
| DeepMet ID | DMID00121418 |
|---|
| Frequency | 21.3 |
|---|
| Structure | |
|---|
| Chemical Formula | C12H16O4 |
|---|
| Molecular Mass | 224.1049 |
|---|
| SMILES | COc1cccc(CCC(O)CC(=O)O)c1 |
|---|
| InChI Key | XZEJZOKCZTUCIW-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 | alkyl aryl ethersanisolesbeta hydroxy acids and derivativescarbonyl compoundscarboxylic acidshydrocarbon derivativeshydroxy fatty acidsmedium-chain fatty acidsmedium-chain hydroxy acids and derivativesmethoxybenzenesmonocarboxylic acids and derivativesorganic oxidesphenoxy compoundssecondary alcohols |
|---|
| Substituents | carbocyclic fatty acidphenol ethermonocyclic benzene moietycarbonyl groupethercarboxylic acidalkyl aryl ethercarboxylic acid derivativemedium-chain hydroxy acidbeta-hydroxy acidorganic oxidemedium-chain fatty acidhydroxy fatty acidalcoholhydroxy acidmethoxybenzenearomatic homomonocyclic compoundmonocarboxylic acid or derivativesorganic oxygen compoundanisolesecondary alcoholhydrocarbon derivativebenzenoidphenoxy compoundorganooxygen compound |
|---|
