| Record Information |
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| HMDB Status | Not Available |
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| Creation Date | 2024-02-20 23:52:32 UTC |
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| Update Date | 2025-03-21 18:03:29 UTC |
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| HMDB ID | Not Available |
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| Metabolite Identification |
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| DeepMet ID | DMID00044637 |
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| Frequency | 75.7 |
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| Structure | |
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| Chemical Formula | C9H12N2O5S |
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| Molecular Mass | 260.0467 |
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| SMILES | COc1cc(OS(N)(=O)=O)ccc1NC(C)=O |
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| InChI Key | KQHFRFZDXAAQNK-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 oxidesorganic sulfuric acids and derivativesorganopnictogen compoundsphenoxy compoundssecondary carboxylic acid amides |
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| Substituents | phenol ethercarbonyl groupethern-acetylarylaminen-arylamidealkyl aryl ethercarboxylic acid derivativeorganic oxideorganonitrogen compoundorganopnictogen compoundacetamideorganic sulfuric acid or derivativesacetanilidecarboxamide groupmethoxybenzenearomatic homomonocyclic compoundsecondary carboxylic acid amideorganic oxygen compoundanisolehydrocarbon derivativeorganic nitrogen compoundphenoxy compoundorganooxygen compound |
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