| Record Information |
|---|
| HMDB Status | Not Available |
|---|
| Creation Date | 2024-02-21 14:39:10 UTC |
|---|
| Update Date | 2025-03-25 00:46:12 UTC |
|---|
| HMDB ID | Not Available |
|---|
| Metabolite Identification |
|---|
| DeepMet ID | DMID02153916 |
|---|
| Frequency | 0.5 |
|---|
| Structure | |
|---|
| Chemical Formula | C13H12O3 |
|---|
| Molecular Mass | 216.0786 |
|---|
| SMILES | COc1ccc2ccc(C)c(C(=O)O)c2c1 |
|---|
| InChI Key | XIQQXDUOIJIIAS-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 compoundsalkyl aryl ethersanisoleshydrocarbon derivativesmonocarboxylic acids and derivativesorganic oxides |
|---|
| Substituents | phenol etherethercarboxylic acidaromatic homopolycyclic compound1-naphthalenecarboxylic acidalkyl aryl ethercarboxylic acid derivativeorganic oxidemonocarboxylic acid or derivativesorganic oxygen compoundanisolehydrocarbon derivative1-carboxy-2-haloaromatic compoundorganooxygen compound |
|---|
