| Record Information |
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| HMDB Status | Not Available |
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| Creation Date | 2024-02-21 15:13:06 UTC |
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| Update Date | 2025-03-25 00:58:31 UTC |
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| HMDB ID | Not Available |
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| Metabolite Identification |
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| DeepMet ID | DMID02231220 |
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| Frequency | 0.5 |
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| Structure | |
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| Chemical Formula | C11H15ClN2O3S |
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| Molecular Mass | 290.0492 |
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| SMILES | CCN(CC(=O)Nc1ccc(Cl)cc1)S(C)(=O)=O |
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| InChI Key | VZSLMAMXWRSESI-UHFFFAOYSA-N |
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| Chemical Taxonomy |
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| Kingdom | organic compounds |
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| Superclass | organic acids and derivatives |
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| Class | carboxylic acids and derivatives |
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| Subclass | amino acids, peptides, and analogues |
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| Direct Parent | alpha amino acids |
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| Geometric Descriptor | aromatic homomonocyclic compounds |
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| Alternative Parents | aminosulfonyl compoundsanilidesaryl chloridescarbonyl compoundscarboxylic acids and derivativeschlorobenzeneshydrocarbon derivativesn-arylamidesorganic oxidesorganic sulfonamidesorganochloridesorganopnictogen compoundsorganosulfonamidessecondary carboxylic acid amides |
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| Substituents | organosulfonic acid or derivativesmonocyclic benzene moietycarbonyl grouporganochloriden-arylamideorganosulfur compoundorganohalogen compoundorganosulfonic acid amideorganic oxideorganonitrogen compoundalpha-amino acidorganopnictogen compoundaryl chloridechlorobenzeneaminosulfonyl compoundcarboxamide grouparyl halidearomatic homomonocyclic compoundanilidesecondary carboxylic acid amidesulfonylorganic oxygen compoundorganic sulfonic acid or derivativeshydrocarbon derivativebenzenoidorganic nitrogen compoundhalobenzeneorganic sulfonic acid amideorganooxygen compound |
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