| Record Information |
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| HMDB Status | Not Available |
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| Creation Date | 2024-02-21 15:09:22 UTC |
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| Update Date | 2025-03-25 00:57:09 UTC |
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| HMDB ID | Not Available |
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| Metabolite Identification |
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| DeepMet ID | DMID02223024 |
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| Frequency | 0.5 |
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| Structure | |
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| Chemical Formula | C9H9Cl2NO4S |
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| Molecular Mass | 296.9629 |
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| SMILES | NC(CS(=O)(=O)c1ccc(Cl)c(Cl)c1)C(=O)O |
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| InChI Key | INEMZJAVICTZQI-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 | aryl chloridesbenzenesulfonyl compoundscarbonyl compoundscarboxylic acidsdichlorobenzeneshydrocarbon derivativesmonoalkylaminesmonocarboxylic acids and derivativesorganic oxidesorganochloridesorganonitrogen compoundsorganopnictogen compoundssulfones |
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| Substituents | monocyclic benzene moietycarbonyl groupcarboxylic acidorganochlorideorganosulfur compoundorganohalogen compoundorganic oxideorganonitrogen compoundalpha-amino acidorganopnictogen compound1,2-dichlorobenzenebenzenesulfonyl grouparyl chloridechlorobenzenearyl halidearomatic homomonocyclic compoundmonocarboxylic acid or derivativessulfonylorganic oxygen compoundhydrocarbon derivativebenzenoidprimary aliphatic amineorganic nitrogen compoundhalobenzeneorganooxygen compoundsulfone |
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