| Record Information |
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| HMDB Status | Not Available |
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| Creation Date | 2024-02-20 23:51:51 UTC |
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| Update Date | 2025-03-21 18:03:13 UTC |
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| HMDB ID | Not Available |
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| Metabolite Identification |
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| DeepMet ID | DMID00042990 |
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| Frequency | 87.3 |
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| Structure | |
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| Chemical Formula | C10H10N2O4S |
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| Molecular Mass | 254.0361 |
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| SMILES | COc1ccc2nc(S(=O)CC(=O)O)[nH]c2c1 |
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| InChI Key | COKFJSQOCZJOLY-UHFFFAOYSA-N |
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| Chemical Taxonomy |
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| Kingdom | organic compounds |
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| Superclass | organoheterocyclic compounds |
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| Class | benzimidazoles |
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| Subclass | sulfinylbenzimidazoles |
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| Direct Parent | sulfinylbenzimidazoles |
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| Geometric Descriptor | aromatic heteropolycyclic compounds |
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| Alternative Parents | alkyl aryl ethersanisolesazacyclic compoundscarbonyl compoundscarboxylic acidsheteroaromatic compoundshydrocarbon derivativesimidazolesmonocarboxylic acids and derivativesorganic oxidesorganonitrogen compoundsorganopnictogen compoundssulfinyl compoundssulfoxides |
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| Substituents | phenol ethercarbonyl groupethercarboxylic acidalkyl aryl ethersulfinylbenzimidazoleorganosulfur compoundcarboxylic acid derivativeorganic oxidesulfinyl compoundaromatic heteropolycyclic compoundimidazoleorganonitrogen compoundorganopnictogen compoundazoleazacycleheteroaromatic compoundmonocarboxylic acid or derivativesorganic oxygen compoundanisolesulfoxidehydrocarbon derivativebenzenoidorganic nitrogen compoundorganooxygen compound |
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