| Record Information |
|---|
| HMDB Status | Not Available |
|---|
| Creation Date | 2024-02-21 14:51:00 UTC |
|---|
| Update Date | 2025-03-25 00:50:25 UTC |
|---|
| HMDB ID | Not Available |
|---|
| Metabolite Identification |
|---|
| DeepMet ID | DMID02180804 |
|---|
| Frequency | 0.5 |
|---|
| Structure | |
|---|
| Chemical Formula | C13H12O4 |
|---|
| Molecular Mass | 232.0736 |
|---|
| SMILES | COc1cc2c(C)ccc(C(=O)O)c2cc1O |
|---|
| InChI Key | IOEIGSIAGHYEID-UHFFFAOYSA-N |
|---|
| Chemical Taxonomy |
|---|
| Kingdom | organic compounds |
|---|
| Superclass | benzenoids |
|---|
| Class | naphthalenes |
|---|
| Subclass | naphthalenecarboxylic acids and derivatives |
|---|
| Direct Parent | naphthalenecarboxylic acids |
|---|
| Geometric Descriptor | aromatic homopolycyclic compounds |
|---|
| Alternative Parents | 1-carboxy-2-haloaromatic compounds1-hydroxy-2-unsubstituted benzenoidsalkyl aryl ethersanisoleshydrocarbon derivativesmonocarboxylic acids and derivativesnaphthols and derivativesorganic oxides |
|---|
| Substituents | phenol etherethercarboxylic acid1-hydroxy-2-unsubstituted benzenoidaromatic homopolycyclic compound1-naphthalenecarboxylic acidalkyl aryl ethercarboxylic acid derivativeorganic oxidemonocarboxylic acid or derivativesorganic oxygen compoundanisolehydrocarbon derivative1-carboxy-2-haloaromatic compound2-naphtholorganooxygen compound |
|---|
