| Record Information |
|---|
| HMDB Status | Not Available |
|---|
| Creation Date | 2024-02-21 00:18:42 UTC |
|---|
| Update Date | 2025-03-21 18:35:45 UTC |
|---|
| HMDB ID | Not Available |
|---|
| Metabolite Identification |
|---|
| DeepMet ID | DMID00107160 |
|---|
| Frequency | 25.1 |
|---|
| Structure | |
|---|
| Chemical Formula | C14H14O4 |
|---|
| Molecular Mass | 246.0892 |
|---|
| SMILES | COc1ccc2ccc(C(O)CC(=O)O)cc2c1 |
|---|
| InChI Key | WTYLCXABSGKUNN-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 ethersanisolesaromatic alcoholsbeta hydroxy acids and derivativescarbonyl compoundscarboxylic acidshydrocarbon derivativesmonocarboxylic acids and derivativesorganic oxidessecondary alcohols |
|---|
| Substituents | aromatic alcoholalcoholphenol ethercarbonyl groupethercarboxylic acidaromatic homopolycyclic compoundhydroxy acidalkyl aryl ethercarboxylic acid derivativebeta-hydroxy acidorganic oxidemonocarboxylic acid or derivativesnaphthaleneorganic oxygen compoundanisolesecondary alcoholhydrocarbon derivativeorganooxygen compound |
|---|
