| Record Information |
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| HMDB Status | Not Available |
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| Creation Date | 2024-02-21 14:41:04 UTC |
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| Update Date | 2025-03-25 00:46:55 UTC |
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| HMDB ID | Not Available |
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| Metabolite Identification |
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| DeepMet ID | DMID02158166 |
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| Frequency | 0.5 |
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| Structure | |
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| Chemical Formula | C8H8ClNO5S |
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| Molecular Mass | 264.9812 |
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| SMILES | O=C(O)CN(c1ccc(Cl)cc1)S(=O)(=O)O |
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| InChI Key | KEKGBQDOIUWQFV-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 | sulfanilides |
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| Direct Parent | sulfanilides |
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| Geometric Descriptor | aromatic homomonocyclic compounds |
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| Alternative Parents | alpha amino acidsaryl chloridescarbonyl compoundscarboxylic acidschlorobenzeneshydrocarbon derivativesmonocarboxylic acids and derivativesorganic oxidesorganochloridesorganonitrogen compoundsorganopnictogen compoundssulfuric acid monoamides |
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| Substituents | carbonyl groupcarboxylic acidorganochloridealpha-amino acid or derivativescarboxylic acid derivativeorganohalogen compoundorganic oxideorganonitrogen compoundalpha-amino acidorganopnictogen compoundaryl chloridechlorobenzeneorganic sulfuric acid or derivativesaryl halidearomatic homomonocyclic compoundsulfanilidemonocarboxylic acid or derivativesorganic oxygen compoundsulfuric acid monoamidehydrocarbon derivativeorganic nitrogen compoundhalobenzeneorganooxygen compound |
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