| Record Information |
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| HMDB Status | Not Available |
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| Creation Date | 2024-02-21 14:49:30 UTC |
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| Update Date | 2025-03-25 00:49:54 UTC |
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| HMDB ID | Not Available |
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| Metabolite Identification |
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| DeepMet ID | DMID02177389 |
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| Frequency | 0.5 |
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| Structure | |
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| Chemical Formula | C9H11NO3S |
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| Molecular Mass | 213.046 |
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| SMILES | Cc1ccc(S(C)(=O)=O)cc1C(N)=O |
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| InChI Key | XXZZBBAXVUHJOO-UHFFFAOYSA-N |
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| Chemical Taxonomy |
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| Kingdom | organic compounds |
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| Superclass | benzenoids |
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| Class | benzene and substituted derivatives |
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| Subclass | benzoic acids and derivatives |
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| Direct Parent | benzamides |
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| Geometric Descriptor | aromatic homomonocyclic compounds |
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| Alternative Parents | benzenesulfonyl compoundsbenzoyl derivativescarboxylic acids and derivativeshydrocarbon derivativesorganic oxidesorganonitrogen compoundsorganooxygen compoundsorganopnictogen compoundsprimary carboxylic acid amidessulfoneso-toluamides |
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| Substituents | primary carboxylic acid amidebenzoylorganosulfur compoundcarboxamide groupcarboxylic acid derivativetoluamidebenzamidearomatic homomonocyclic compoundorganic oxidesulfonylorganic oxygen compoundo-toluamideorganonitrogen compoundorganopnictogen compoundhydrocarbon derivativeorganic nitrogen compoundtolueneorganooxygen compoundsulfonebenzenesulfonyl group |
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