| Record Information |
|---|
| HMDB Status | Not Available |
|---|
| Creation Date | 2024-02-21 00:06:20 UTC |
|---|
| Update Date | 2025-03-21 18:29:25 UTC |
|---|
| HMDB ID | Not Available |
|---|
| Metabolite Identification |
|---|
| DeepMet ID | DMID00077350 |
|---|
| Frequency | 43.9 |
|---|
| Structure | |
|---|
| Chemical Formula | C16H14N2O4S |
|---|
| Molecular Mass | 330.0674 |
|---|
| SMILES | COc1ccc2nc(S(=O)Cc3ccc(C(=O)O)cc3)[nH]c2c1 |
|---|
| InChI Key | FLDGWISFYURWHN-UHFFFAOYSA-N |
|---|
| Chemical Taxonomy |
|---|
| Kingdom | organic compounds |
|---|
| Superclass | organoheterocyclic compounds |
|---|
| Class | benzimidazoles |
|---|
| Subclass | sulfinylbenzimidazoles |
|---|
| Direct Parent | sulfinylbenzimidazoles |
|---|
| Geometric Descriptor | aromatic heteropolycyclic compounds |
|---|
| Alternative Parents | alkyl aryl ethersanisolesazacyclic compoundsbenzoic acidsbenzoyl derivativesbenzyl sulfoxidescarboxylic acidsheteroaromatic compoundshydrocarbon derivativesimidazolesmonocarboxylic acids and derivativesorganic oxidesorganonitrogen compoundsorganopnictogen compoundssulfinyl compoundssulfoxides |
|---|
| Substituents | phenol ethermonocyclic benzene moietyethercarboxylic acidbenzoylalkyl aryl ethersulfinylbenzimidazoleorganosulfur compoundcarboxylic acid derivativeorganic oxidesulfinyl compoundaromatic heteropolycyclic compoundimidazoleorganonitrogen compoundorganopnictogen compoundbenzoic acidazoleazacycleheteroaromatic compoundbenzoic acid or derivativesmonocarboxylic acid or derivativesorganic oxygen compoundbenzyl sulfoxideanisolesulfoxidehydrocarbon derivativebenzenoidorganic nitrogen compoundorganooxygen compound |
|---|
