| Record Information |
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| HMDB Status | Not Available |
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| Creation Date | 2024-02-21 00:09:14 UTC |
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| Update Date | 2025-03-21 18:31:07 UTC |
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| HMDB ID | Not Available |
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| Metabolite Identification |
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| DeepMet ID | DMID00084322 |
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| Frequency | 34.0 |
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| Structure | |
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| Chemical Formula | C8H8ClNO6S |
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| Molecular Mass | 280.9761 |
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| SMILES | O=C(CO)Nc1cc(Cl)ccc1OS(=O)(=O)O |
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| InChI Key | LMRYFXLXTKCPQI-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 | alcohols and polyolsanilidesaryl chloridescarbonyl compoundscarboxylic acids and derivativeschlorobenzeneshydrocarbon derivativesn-arylamidesorganic oxidesorganochloridesorganopnictogen compoundsphenoxy compoundssecondary carboxylic acid amidessulfuric acid monoesters |
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| Substituents | monocyclic benzene moietysulfuric acid monoestercarbonyl grouporganochloriden-arylamidecarboxylic acid derivativeorganohalogen compoundphenylsulfateorganic oxideorganonitrogen compoundorganopnictogen compoundaryl chloridechlorobenzenealcoholcarboxamide grouparyl halidearomatic homomonocyclic compoundanilidesecondary carboxylic acid amideorganic oxygen compoundsulfate-esterhydrocarbon derivativebenzenoidorganic nitrogen compoundhalobenzenephenoxy compoundsulfuric acid esterorganooxygen compound |
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