| Record Information |
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| HMDB Status | Not Available |
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| Creation Date | 2024-02-21 15:05:21 UTC |
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| Update Date | 2025-03-25 00:55:42 UTC |
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| HMDB ID | Not Available |
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| Metabolite Identification |
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| DeepMet ID | DMID02213748 |
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| Frequency | 0.5 |
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| Structure | |
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| Chemical Formula | C9H12ClN3O3S |
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| Molecular Mass | 277.0288 |
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| SMILES | CNCC(=O)Nc1ccc(S(N)(=O)=O)c(Cl)c1 |
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| InChI Key | APCMVTANDRJOIZ-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 acid amides |
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| Geometric Descriptor | aromatic homomonocyclic compounds |
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| Alternative Parents | alpha amino acidsaminosulfonyl compoundsanilidesaryl chloridesbenzenesulfonamidesbenzenesulfonyl compoundscarbonyl compoundscarboxylic acids and derivativeschlorobenzenesdialkylamineshydrocarbon derivativesn-arylamidesorganic oxidesorganochloridesorganopnictogen 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 compoundbenzenesulfonyl grouparyl chloridechlorobenzenesecondary aliphatic aminebenzenesulfonamidealpha-amino acid amideaminosulfonyl compoundsecondary aminecarboxamide grouparyl halidearomatic homomonocyclic compoundanilidesecondary carboxylic acid amidesulfonylorganic oxygen compoundorganic sulfonic acid or derivativeshydrocarbon derivativebenzenoidorganic nitrogen compoundhalobenzeneorganooxygen compoundamine |
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