| Record Information |
|---|
| HMDB Status | Not Available |
|---|
| Creation Date | 2024-02-21 00:00:23 UTC |
|---|
| Update Date | 2025-03-21 18:06:25 UTC |
|---|
| HMDB ID | Not Available |
|---|
| Metabolite Identification |
|---|
| DeepMet ID | DMID00063042 |
|---|
| Frequency | 49.1 |
|---|
| Structure | |
|---|
| Chemical Formula | C9H10O8S |
|---|
| Molecular Mass | 278.0096 |
|---|
| SMILES | COc1cc(C(=O)O)c(OC)cc1OS(=O)(=O)O |
|---|
| InChI Key | UAODRHJUKWQRHK-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 derivativesdimethoxybenzeneshydrocarbon derivativesm-methoxybenzoic acids and derivativesmonocarboxylic acids and derivativesorganic oxidesphenoxy compoundsphenylsulfatessulfuric acid monoesters |
|---|
| Substituents | phenol ethersulfuric acid monoesterethercarboxylic acidp-dimethoxybenzenebenzoylalkyl aryl ethercarboxylic acid derivativedimethoxybenzenephenylsulfateorganic oxideo-methoxybenzoic acid or derivativesarylsulfate1-carboxy-2-haloaromatic compoundbenzoic acidm-methoxybenzoic acid or derivativesorganic sulfuric acid or derivativesmethoxybenzenearomatic homomonocyclic compoundmonocarboxylic acid or derivativesorganic oxygen compoundanisolesulfate-esterhydrocarbon derivativephenoxy compoundsulfuric acid esterorganooxygen compound |
|---|
