| Record Information |
|---|
| HMDB Status | predicted |
|---|
| Creation Date | 2024-02-21 00:02:45 UTC |
|---|
| Update Date | 2025-03-21 18:07:20 UTC |
|---|
| HMDB ID | HMDB0125594 |
|---|
| Metabolite Identification |
|---|
| DeepMet ID | DMID00068737 |
|---|
| Name | 2,3,4-trihydroxy-5-methoxybenzoic acid |
|---|
| Frequency | 44.0 |
|---|
| Structure | |
|---|
| Chemical Formula | C8H8O6 |
|---|
| Molecular Mass | 200.0321 |
|---|
| SMILES | COc1cc(C(=O)O)c(O)c(O)c1O |
|---|
| InChI Key | XLIACIXGXMEKDG-UHFFFAOYSA-N |
|---|
| Chemical Taxonomy |
|---|
| Kingdom | organic compounds |
|---|
| Superclass | benzenoids |
|---|
| Class | benzene and substituted derivatives |
|---|
| Subclass | benzoic acids and derivatives |
|---|
| Direct Parent | m-methoxybenzoic acids and derivatives |
|---|
| Geometric Descriptor | aromatic homomonocyclic compounds |
|---|
| Alternative Parents | 1-carboxy-2-haloaromatic compounds1-hydroxy-4-unsubstituted benzenoids4-alkoxyphenols5-unsubstituted pyrrogallolsalkyl aryl ethersanisolesbenzoic acidsbenzoyl derivativeshydrocarbon derivativesmethoxybenzenesmethoxyphenolsmonocarboxylic acids and derivativesorganic oxidesphenoxy compoundssalicylic acidsvinylogous acids |
|---|
| Substituents | phenol etherethercarboxylic acidmethoxyphenolbenzoylsalicylic acidalkyl aryl ethercarboxylic acid derivativeorganic oxide5-unsubstituted pyrrogallol1-carboxy-2-haloaromatic compoundbenzoic acidm-methoxybenzoic acid or derivatives4-alkoxyphenolpyrogallol derivativebenzenetriol1-hydroxy-4-unsubstituted benzenoidmethoxybenzenehydroxybenzoic acidaromatic homomonocyclic compoundvinylogous acidmonocarboxylic acid or derivativesorganic oxygen compoundsalicylic acid or derivativesanisolephenolhydrocarbon derivativephenoxy compoundorganooxygen compound |
|---|
