| Record Information |
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| HMDB Status | Not Available |
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| Creation Date | 2024-02-21 15:05:23 UTC |
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| Update Date | 2025-03-25 00:55:43 UTC |
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| HMDB ID | Not Available |
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| Metabolite Identification |
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| DeepMet ID | DMID02213833 |
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| Frequency | 0.5 |
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| Structure | |
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| Chemical Formula | C10H11Cl2NO5S |
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| Molecular Mass | 326.9735 |
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| SMILES | CCN(CC(=O)O)S(=O)(=O)Oc1ccc(Cl)cc1Cl |
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| InChI Key | GTAVQBOJFHILIQ-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 chloridescarbonyl compoundscarboxylic acidsdichlorobenzeneshydrocarbon derivativesmonocarboxylic acids and derivativesorganic oxidesorganic sulfuric acids and derivativesorganochloridesorganonitrogen compoundsorganopnictogen compoundsphenoxy compounds |
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| Substituents | monocyclic benzene moietycarbonyl groupcarboxylic acidorganochlorideorganohalogen compound1,3-dichlorobenzeneorganic oxideorganonitrogen compoundalpha-amino acidorganopnictogen compoundaryl chloridechlorobenzeneorganic sulfuric acid or derivativesaryl halidearomatic homomonocyclic compoundmonocarboxylic acid or derivativesorganic oxygen compoundhydrocarbon derivativebenzenoidorganic nitrogen compoundhalobenzenephenoxy compoundorganooxygen compound |
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