| Record Information |
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| HMDB Status | Not Available |
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| Creation Date | 2024-02-21 00:17:27 UTC |
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| Update Date | 2025-03-21 18:35:08 UTC |
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| HMDB ID | Not Available |
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| Metabolite Identification |
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| DeepMet ID | DMID00104100 |
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| Frequency | 26.1 |
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| Structure | |
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| Chemical Formula | C10H10N2O3S |
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| Molecular Mass | 238.0412 |
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| SMILES | O=C(O)CCS(=O)c1nc2ccccc2[nH]1 |
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| InChI Key | QAOSQRSQZVBIGO-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 | azacyclic compoundsbenzenoidscarbonyl compoundscarboxylic acidsheteroaromatic compoundshydrocarbon derivativesimidazolesmonocarboxylic acids and derivativesorganic oxidesorganonitrogen compoundsorganopnictogen compoundssulfinyl compoundssulfoxides |
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| Substituents | carbonyl groupcarboxylic acidazacycleheteroaromatic compoundsulfinylbenzimidazoleorganosulfur compoundcarboxylic acid derivativeorganic oxidemonocarboxylic acid or derivativesorganic oxygen compoundsulfinyl compoundaromatic heteropolycyclic compoundimidazoleorganonitrogen compoundsulfoxideorganopnictogen compoundhydrocarbon derivativebenzenoidorganic nitrogen compoundorganooxygen compoundazole |
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