| Record Information |
|---|
| HMDB Status | predicted |
|---|
| Creation Date | 2024-02-21 00:26:17 UTC |
|---|
| Update Date | 2025-03-21 18:39:22 UTC |
|---|
| HMDB ID | HMDB0140966 |
|---|
| Metabolite Identification |
|---|
| DeepMet ID | DMID00125326 |
|---|
| Name | 2-hydroxy-2-[4-(2-methylpropyl)phenyl]propanoic acid |
|---|
| Frequency | 20.5 |
|---|
| Structure | |
|---|
| Chemical Formula | C13H18O3 |
|---|
| Molecular Mass | 222.1256 |
|---|
| SMILES | CC(C)Cc1ccc(C(C)(O)C(=O)O)cc1 |
|---|
| InChI Key | APEODKDQAWQDLW-UHFFFAOYSA-N |
|---|
| Chemical Taxonomy |
|---|
| Kingdom | organic compounds |
|---|
| Superclass | benzenoids |
|---|
| Class | benzene and substituted derivatives |
|---|
| Subclass | phenylpropanes |
|---|
| Direct Parent | phenylpropanes |
|---|
| Geometric Descriptor | aromatic homomonocyclic compounds |
|---|
| Alternative Parents | alpha hydroxy acids and derivativesaromatic alcoholscarbonyl compoundscarboxylic acidshydrocarbon derivativesmonocarboxylic acids and derivativesorganic oxidestertiary alcohols |
|---|
| Substituents | aromatic alcoholalcoholcarbonyl groupcarboxylic acidalpha-hydroxy acidhydroxy acidcarboxylic acid derivativephenylpropanearomatic homomonocyclic compoundtertiary alcoholorganic oxidemonocarboxylic acid or derivativesorganic oxygen compoundhydrocarbon derivativeorganooxygen compound |
|---|
