| Record Information |
|---|
| HMDB Status | Not Available |
|---|
| Creation Date | 2024-02-20 23:47:10 UTC |
|---|
| Update Date | 2025-03-21 18:01:14 UTC |
|---|
| HMDB ID | Not Available |
|---|
| Metabolite Identification |
|---|
| DeepMet ID | DMID00031727 |
|---|
| Frequency | 115.8 |
|---|
| Structure | |
|---|
| Chemical Formula | C13H12O3 |
|---|
| Molecular Mass | 216.0786 |
|---|
| SMILES | COc1ccc2ccc(CC(=O)O)cc2c1 |
|---|
| InChI Key | AFTYSXXWLOFWDY-UHFFFAOYSA-N |
|---|
| Chemical Taxonomy |
|---|
| Kingdom | organic compounds |
|---|
| Superclass | benzenoids |
|---|
| Class | naphthalenes |
|---|
| Subclass | naphthalenes |
|---|
| Direct Parent | naphthalenes |
|---|
| Geometric Descriptor | aromatic homopolycyclic compounds |
|---|
| Alternative Parents | alkyl aryl ethersanisolescarbonyl compoundscarboxylic acidshydrocarbon derivativesmonocarboxylic acids and derivativesorganic oxides |
|---|
| Substituents | phenol ethercarbonyl groupethercarboxylic acidaromatic homopolycyclic compoundalkyl aryl ethercarboxylic acid derivativeorganic oxidemonocarboxylic acid or derivativesnaphthaleneorganic oxygen compoundanisolehydrocarbon derivativeorganooxygen compound |
|---|
