| Record Information |
|---|
| HMDB Status | Not Available |
|---|
| Creation Date | 2024-02-20 23:39:29 UTC |
|---|
| Update Date | 2025-03-21 17:58:25 UTC |
|---|
| HMDB ID | Not Available |
|---|
| Metabolite Identification |
|---|
| DeepMet ID | DMID00014271 |
|---|
| Frequency | 309.5 |
|---|
| Structure | |
|---|
| Chemical Formula | C11H14O3 |
|---|
| Molecular Mass | 194.0943 |
|---|
| SMILES | COc1cccc(CCCC(=O)O)c1 |
|---|
| InChI Key | XVNAQBXAGBAWEE-UHFFFAOYSA-N |
|---|
| Chemical Taxonomy |
|---|
| Kingdom | organic compounds |
|---|
| Superclass | benzenoids |
|---|
| Class | phenol ethers |
|---|
| Subclass | anisoles |
|---|
| Direct Parent | anisoles |
|---|
| Geometric Descriptor | aromatic homomonocyclic compounds |
|---|
| Alternative Parents | alkyl aryl etherscarbonyl compoundscarboxylic acidshydrocarbon derivativesmethoxybenzenesmonocarboxylic acids and derivativesorganic oxidesphenoxy compounds |
|---|
| Substituents | monocyclic benzene moietycarbonyl groupethercarboxylic acidalkyl aryl ethercarboxylic acid derivativemethoxybenzenearomatic homomonocyclic compoundorganic oxidemonocarboxylic acid or derivativesorganic oxygen compoundanisolehydrocarbon derivativephenoxy compoundorganooxygen compound |
|---|
