| Record Information |
|---|
| HMDB Status | predicted |
|---|
| Creation Date | 2024-02-20 23:53:26 UTC |
|---|
| Update Date | 2025-03-21 18:03:49 UTC |
|---|
| HMDB ID | HMDB0142083 |
|---|
| Metabolite Identification |
|---|
| DeepMet ID | DMID00046820 |
|---|
| Name | 2,3,4-trimethoxybenzoic acid |
|---|
| Frequency | 71.3 |
|---|
| Structure | |
|---|
| Chemical Formula | C10H12O5 |
|---|
| Molecular Mass | 212.0685 |
|---|
| SMILES | COc1ccc(C(=O)O)c(OC)c1OC |
|---|
| InChI Key | HZNQSWJZTWOTKM-UHFFFAOYSA-N |
|---|
| Chemical Taxonomy |
|---|
| Kingdom | organic compounds |
|---|
| Superclass | benzenoids |
|---|
| Class | benzene and substituted derivatives |
|---|
| Subclass | benzoic acids and derivatives |
|---|
| Direct Parent | p-methoxybenzoic acids and derivatives |
|---|
| Geometric Descriptor | aromatic homomonocyclic compounds |
|---|
| Alternative Parents | 1-carboxy-2-haloaromatic compoundsalkyl aryl ethersanisolesbenzoic acidsbenzoyl derivativeshydrocarbon derivativesm-methoxybenzoic acids and derivativesmethoxybenzenesmonocarboxylic acids and derivativeso-methoxybenzoic acids and derivativesorganic oxidesphenoxy compounds |
|---|
| Substituents | phenol etherethercarboxylic acidbenzoylalkyl aryl ethercarboxylic acid derivativemethoxybenzenearomatic homomonocyclic compoundorganic oxidemonocarboxylic acid or derivativesorganic oxygen compoundp-methoxybenzoic acid or derivativesanisoleo-methoxybenzoic acid or derivativeshydrocarbon derivative1-carboxy-2-haloaromatic compoundbenzoic acidphenoxy compoundm-methoxybenzoic acid or derivativesorganooxygen compound |
|---|
