| Record Information |
|---|
| HMDB Status | Not Available |
|---|
| Creation Date | 2024-02-21 14:50:23 UTC |
|---|
| Update Date | 2025-03-25 00:50:12 UTC |
|---|
| HMDB ID | Not Available |
|---|
| Metabolite Identification |
|---|
| DeepMet ID | DMID02179376 |
|---|
| Frequency | 0.5 |
|---|
| Structure | |
|---|
| Chemical Formula | C13H18O3 |
|---|
| Molecular Mass | 222.1256 |
|---|
| SMILES | COc1cccc(CC(C)C(C)C(=O)O)c1 |
|---|
| InChI Key | FTGGMYQWKODSSX-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 | alkyl aryl ethersanisolescarbonyl compoundscarboxylic acidshydrocarbon derivativesmethoxybenzenesmonocarboxylic acids and derivativesorganic oxidesphenoxy compounds |
|---|
| Substituents | phenol ethercarbonyl groupethercarboxylic acidalkyl aryl ethercarboxylic acid derivativemethoxybenzenephenylpropanearomatic homomonocyclic compoundorganic oxidemonocarboxylic acid or derivativesorganic oxygen compoundanisolehydrocarbon derivativephenoxy compoundorganooxygen compound |
|---|
