| Record Information |
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| HMDB Status | Not Available |
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| Creation Date | 2024-02-20 23:45:52 UTC |
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| Update Date | 2025-03-21 18:00:40 UTC |
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| HMDB ID | Not Available |
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| Metabolite Identification |
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| DeepMet ID | DMID00028690 |
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| Frequency | 131.0 |
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| Structure | |
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| Chemical Formula | C9H11NO4S |
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| Molecular Mass | 229.0409 |
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| SMILES | COc1cc(S(=O)O)ccc1NC(C)=O |
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| InChI Key | RIBQOUZVTFVTNZ-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 | anilides |
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| Direct Parent | acetanilides |
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| Geometric Descriptor | aromatic homomonocyclic compounds |
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| Alternative Parents | acetamidesalkyl aryl ethersanisolescarbonyl compoundscarboxylic acids and derivativeshydrocarbon derivativesmethoxybenzenesn-acetylarylaminesorganic oxidesorganopnictogen compoundsorganosulfur compoundsphenoxy compoundssecondary carboxylic acid amidessulfinic acids |
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| Substituents | phenol ethercarbonyl groupethern-acetylarylaminesulfinic acid derivativen-arylamidealkyl aryl etherorganosulfur compoundcarboxylic acid derivativesulfinic acidorganic oxideorganonitrogen compoundorganopnictogen compoundacetamideacetanilidecarboxamide groupmethoxybenzenearomatic homomonocyclic compoundsecondary carboxylic acid amideorganic oxygen compoundanisolehydrocarbon derivativeorganic nitrogen compoundphenoxy compoundorganooxygen compound |
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