| Record Information |
|---|
| HMDB Status | Not Available |
|---|
| Creation Date | 2024-02-20 23:55:21 UTC |
|---|
| Update Date | 2025-03-21 18:04:32 UTC |
|---|
| HMDB ID | Not Available |
|---|
| Metabolite Identification |
|---|
| DeepMet ID | DMID00051297 |
|---|
| Frequency | 63.7 |
|---|
| Structure | |
|---|
| Chemical Formula | C9H10O5 |
|---|
| Molecular Mass | 198.0528 |
|---|
| SMILES | COC(=O)c1cc(O)c(O)c(OC)c1 |
|---|
| InChI Key | LVVUKXKEXOTUPV-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-hydroxy-2-unsubstituted benzenoids1-hydroxy-4-unsubstituted benzenoidsalkyl aryl ethersanisolesbenzoyl derivativeshydrocarbon derivativesmethoxybenzenesmethoxyphenolsmethyl estersmonocarboxylic acids and derivativesorganic oxidesphenoxy compoundsm-hydroxybenzoic acid estersp-hydroxybenzoic acid alkyl esters |
|---|
| Substituents | phenol etheretherp-hydroxybenzoic acid estermethoxyphenolbenzoyl1-hydroxy-2-unsubstituted benzenoidbenzoate esteralkyl aryl ethercarboxylic acid derivativeorganic oxidemethyl esterm-methoxybenzoic acid or derivativesm-hydroxybenzoic acid ester1-hydroxy-4-unsubstituted benzenoidmethoxybenzenep-hydroxybenzoic acid alkyl esteraromatic homomonocyclic compoundmonocarboxylic acid or derivativesorganic oxygen compoundanisolecarboxylic acid esterphenolhydrocarbon derivativephenoxy compoundorganooxygen compound |
|---|
