| Record Information |
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| HMDB Status | Not Available |
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| Creation Date | 2024-02-21 00:23:56 UTC |
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| Update Date | 2025-03-21 18:38:15 UTC |
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| HMDB ID | Not Available |
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| Metabolite Identification |
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| DeepMet ID | DMID00119848 |
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| Frequency | 21.7 |
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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 | NC(=O)Cc1ccc(OS(=O)(=O)O)c(Cl)c1 |
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| InChI Key | AUCKMDWERXOUDY-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 | organic sulfuric acids and derivatives |
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| Subclass | arylsulfates |
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| Direct Parent | phenylsulfates |
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| Geometric Descriptor | aromatic homomonocyclic compounds |
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| Alternative Parents | aryl chloridescarbonyl compoundscarboxylic acids and derivativeschlorobenzeneshydrocarbon derivativesorganic oxidesorganochloridesorganonitrogen compoundsorganopnictogen compoundsphenoxy compoundsphenylacetamidesprimary carboxylic acid amidessulfuric acid monoesters |
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| Substituents | primary carboxylic acid amidemonocyclic benzene moietysulfuric acid monoestercarbonyl grouporganochloridecarboxylic acid derivativeorganohalogen compoundphenylsulfateorganic oxideorganonitrogen compoundorganopnictogen compoundphenylacetamidearyl chloridechlorobenzenecarboxamide grouparyl halidearomatic homomonocyclic compoundorganic oxygen compoundsulfate-esterhydrocarbon derivativebenzenoidorganic nitrogen compoundhalobenzenephenoxy compoundsulfuric acid esterorganooxygen compound |
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