| Record Information |
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| HMDB Status | Not Available |
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| Creation Date | 2024-02-21 14:44:50 UTC |
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| Update Date | 2025-03-25 00:48:11 UTC |
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| HMDB ID | Not Available |
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| Metabolite Identification |
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| DeepMet ID | DMID02166682 |
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| Frequency | 0.5 |
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| Structure | |
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| Chemical Formula | C9H12N2O3S |
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| Molecular Mass | 228.0569 |
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| SMILES | CC(=O)Nc1c(C)cccc1S(N)(=O)=O |
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| InChI Key | MDRFWVYBRRETHE-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 | benzenesulfonamides |
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| Direct Parent | benzenesulfonamides |
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| Geometric Descriptor | aromatic homomonocyclic compounds |
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| Alternative Parents | acetamidesacetanilidesaminosulfonyl compoundsbenzenesulfonyl compoundscarbonyl compoundscarboxylic acids and derivativeshydrocarbon derivativesn-acetylarylaminesorganic oxidesorganopnictogen compoundsorganosulfonamidessecondary carboxylic acid amidestoluenes |
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| Substituents | organosulfonic acid or derivativescarbonyl groupn-acetylarylaminen-arylamideorganosulfur compoundcarboxylic acid derivativeorganosulfonic acid amideorganic oxideorganonitrogen compoundorganopnictogen compoundacetamidebenzenesulfonyl groupbenzenesulfonamideaminosulfonyl compoundacetanilidecarboxamide grouparomatic homomonocyclic compoundanilidesecondary carboxylic acid amidesulfonylorganic oxygen compoundorganic sulfonic acid or derivativeshydrocarbon derivativeorganic nitrogen compoundtolueneorganooxygen compound |
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