| Record Information |
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| HMDB Status | Not Available |
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| Creation Date | 2024-02-21 15:17:02 UTC |
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| Update Date | 2025-03-25 00:59:56 UTC |
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| HMDB ID | Not Available |
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| Metabolite Identification |
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| DeepMet ID | DMID02240184 |
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| Frequency | 0.5 |
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| Structure | |
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| Chemical Formula | C12H16ClN3O5S |
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| Molecular Mass | 349.0499 |
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| SMILES | NC(CCCNC(=O)NS(=O)(=O)c1ccc(Cl)cc1)C(=O)O |
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| InChI Key | CTPMPMWXUURJQS-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 | alpha amino acidsaminosulfonyl compoundsaryl chloridesbenzenesulfonyl compoundscarbonyl compoundscarboxylic acidschlorobenzeneshydrocarbon derivativesmonoalkylaminesmonocarboxylic acids and derivativesorganic carbonic acids and derivativesorganic oxidesorganochloridesorganopnictogen compoundsorganosulfonic acids and derivativessulfonylureas |
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| Substituents | organosulfonic acid or derivativescarbonyl groupcarboxylic acidorganochloridealpha-amino acid or derivativesorganosulfur compoundcarboxylic acid derivativeorganohalogen compoundorganic oxideorganonitrogen compoundalpha-amino acidorganopnictogen compoundbenzenesulfonyl grouparyl chloridechlorobenzenecarbonic acid derivativebenzenesulfonamideaminosulfonyl compoundaryl halidearomatic homomonocyclic compoundmonocarboxylic acid or derivativessulfonylorganic oxygen compoundorganic sulfonic acid or derivativessulfonylureahydrocarbon derivativeprimary aliphatic amineorganic nitrogen compoundhalobenzeneorganooxygen compound |
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