| Record Information |
|---|
| HMDB Status | Not Available |
|---|
| Creation Date | 2024-02-21 15:07:55 UTC |
|---|
| Update Date | 2025-03-25 00:56:37 UTC |
|---|
| HMDB ID | Not Available |
|---|
| Metabolite Identification |
|---|
| DeepMet ID | DMID02219676 |
|---|
| Frequency | 0.5 |
|---|
| Structure | |
|---|
| Chemical Formula | C14H13NO7S |
|---|
| Molecular Mass | 339.0413 |
|---|
| SMILES | COc1cc(C(=O)O)ccc1Nc1ccccc1OS(=O)(=O)O |
|---|
| InChI Key | QUBWOIHXHWICTQ-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 | alkyl aryl ethersamino acidsanisolesbenzoic acidsbenzoyl derivativescarboxylic acidshydrocarbon derivativesmethoxybenzenesmonocarboxylic acids and derivativesorganic oxidesorganopnictogen compoundsphenoxy compoundsphenylsulfatessecondary aminessulfuric acid monoesters |
|---|
| Substituents | phenol ethersulfuric acid monoesterethercarboxylic acidamino acid or derivativesamino acidbenzoylalkyl aryl ethercarboxylic acid derivativephenylsulfateorganic oxideorganonitrogen compoundorganopnictogen compoundarylsulfatebenzoic acidm-methoxybenzoic acid or derivativesorganic sulfuric acid or derivativessecondary aminemethoxybenzenearomatic homomonocyclic compoundmonocarboxylic acid or derivativesorganic oxygen compoundanisolesulfate-esterhydrocarbon derivativeorganic nitrogen compoundphenoxy compoundsulfuric acid esterorganooxygen compoundamine |
|---|
