| Record Information |
|---|
| HMDB Status | Not Available |
|---|
| Creation Date | 2024-02-21 00:14:33 UTC |
|---|
| Update Date | 2025-03-21 18:33:40 UTC |
|---|
| HMDB ID | Not Available |
|---|
| Metabolite Identification |
|---|
| DeepMet ID | DMID00096968 |
|---|
| Frequency | 28.5 |
|---|
| Structure | |
|---|
| Chemical Formula | C14H14O4 |
|---|
| Molecular Mass | 246.0892 |
|---|
| SMILES | COc1ccc2cc(CC(O)C(=O)O)ccc2c1 |
|---|
| InChI Key | WPNNCQVKRBCULD-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 ethersalpha hydroxy acids and derivativesanisolescarbonyl compoundscarboxylic acidshydrocarbon derivativesmonocarboxylic acids and derivativesorganic oxidessecondary alcohols |
|---|
| Substituents | alcoholphenol ethercarbonyl groupethercarboxylic acidalpha-hydroxy acidaromatic homopolycyclic compoundhydroxy acidalkyl aryl ethercarboxylic acid derivativeorganic oxidemonocarboxylic acid or derivativesnaphthaleneorganic oxygen compoundanisolesecondary alcoholhydrocarbon derivativeorganooxygen compound |
|---|
