| Record Information |
|---|
| HMDB Status | Not Available |
|---|
| Creation Date | 2024-02-21 00:27:37 UTC |
|---|
| Update Date | 2025-03-21 18:40:06 UTC |
|---|
| HMDB ID | Not Available |
|---|
| Metabolite Identification |
|---|
| DeepMet ID | DMID00128556 |
|---|
| Frequency | 19.8 |
|---|
| Structure | |
|---|
| Chemical Formula | C13H18O3 |
|---|
| Molecular Mass | 222.1256 |
|---|
| SMILES | CCCCCCOc1ccc(C(=O)O)cc1 |
|---|
| InChI Key | HBQUXMZZODHFMJ-UHFFFAOYSA-N |
|---|
| Chemical Taxonomy |
|---|
| Kingdom | organic compounds |
|---|
| Superclass | benzenoids |
|---|
| Class | benzene and substituted derivatives |
|---|
| Subclass | benzoic acids and derivatives |
|---|
| Direct Parent | benzoic acids |
|---|
| Geometric Descriptor | aromatic homomonocyclic compounds |
|---|
| Alternative Parents | alkyl aryl ethersbenzoyl derivativescarboxylic acidshydrocarbon derivativesmonocarboxylic acids and derivativesorganic oxidesphenol ethersphenoxy compounds |
|---|
| Substituents | phenol etherethercarboxylic acidbenzoylalkyl aryl ethercarboxylic acid derivativearomatic homomonocyclic compoundorganic oxidemonocarboxylic acid or derivativesorganic oxygen compoundhydrocarbon derivativebenzoic acidphenoxy compoundorganooxygen compound |
|---|
