| Record Information |
|---|
| HMDB Status | Not Available |
|---|
| Creation Date | 2024-02-20 23:45:54 UTC |
|---|
| Update Date | 2025-03-21 18:00:41 UTC |
|---|
| HMDB ID | Not Available |
|---|
| Metabolite Identification |
|---|
| DeepMet ID | DMID00028750 |
|---|
| Frequency | 130.7 |
|---|
| Structure | |
|---|
| Chemical Formula | C9H10O3 |
|---|
| Molecular Mass | 166.063 |
|---|
| SMILES | COc1cccc(C)c1C(=O)O |
|---|
| InChI Key | MICCJGFEXKNBLU-UHFFFAOYSA-N |
|---|
| Chemical Taxonomy |
|---|
| Kingdom | organic compounds |
|---|
| Superclass | benzenoids |
|---|
| Class | benzene and substituted derivatives |
|---|
| Subclass | benzoic acids and derivatives |
|---|
| Direct Parent | o-methoxybenzoic acids and derivatives |
|---|
| Geometric Descriptor | aromatic homomonocyclic compounds |
|---|
| Alternative Parents | 1-carboxy-2-haloaromatic compoundsalkyl aryl ethersanisolesbenzoic acidsbenzoyl derivativeshydrocarbon derivativesmethoxybenzenesmonocarboxylic acids and derivativesorganic oxidesphenoxy compoundstoluenes |
|---|
| Substituents | phenol etherethercarboxylic acidbenzoylalkyl aryl ethercarboxylic acid derivativemethoxybenzenearomatic homomonocyclic compoundorganic oxidemonocarboxylic acid or derivativesorganic oxygen compoundanisoleo-methoxybenzoic acid or derivativeshydrocarbon derivative1-carboxy-2-haloaromatic compoundbenzoic acidphenoxy compoundtolueneorganooxygen compound |
|---|
