| Record Information |
|---|
| HMDB Status | Not Available |
|---|
| Creation Date | 2024-02-21 00:15:48 UTC |
|---|
| Update Date | 2025-03-21 18:34:16 UTC |
|---|
| HMDB ID | Not Available |
|---|
| Metabolite Identification |
|---|
| DeepMet ID | DMID00100002 |
|---|
| Frequency | 27.4 |
|---|
| Structure | |
|---|
| Chemical Formula | C14H14O4 |
|---|
| Molecular Mass | 246.0892 |
|---|
| SMILES | COc1ccc2ccc(C(CO)C(=O)O)cc2c1 |
|---|
| InChI Key | JDTRKKWHBUXEPK-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 ethersanisolesbeta hydroxy acids and derivativescarbonyl compoundscarboxylic acidshydrocarbon derivativesmonocarboxylic acids and derivativesorganic oxidesprimary alcohols |
|---|
| Substituents | alcoholphenol ethercarbonyl groupethercarboxylic acidaromatic homopolycyclic compoundhydroxy acidalkyl aryl ethercarboxylic acid derivativebeta-hydroxy acidorganic oxidemonocarboxylic acid or derivativesnaphthaleneorganic oxygen compoundanisolehydrocarbon derivativeprimary alcoholorganooxygen compound |
|---|
