| Record Information |
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| HMDB Status | Not Available |
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| Creation Date | 2024-02-21 15:01:55 UTC |
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| Update Date | 2025-03-25 00:54:20 UTC |
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| HMDB ID | Not Available |
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| Metabolite Identification |
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| DeepMet ID | DMID02205626 |
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| Frequency | 0.5 |
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| Structure | |
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| Chemical Formula | C6H7ClN2O6S2 |
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| Molecular Mass | 301.9434 |
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| SMILES | NS(=O)(=O)Nc1ccc(Cl)cc1OS(=O)(=O)O |
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| InChI Key | JXDHEZWVTNWHEH-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 chlorideschlorobenzeneshydrocarbon derivativesorganic oxidesorganochloridesorganonitrogen compoundsorganooxygen compoundsorganopnictogen compoundsphenoxy compoundssulfanilidessulfuric acid diamidessulfuric acid monoesters |
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| Substituents | monocyclic benzene moietysulfuric acid monoesterorganochlorideorganohalogen compoundphenylsulfateorganic oxideorganonitrogen compoundorganopnictogen compoundaryl chloridechlorobenzenearyl halidearomatic homomonocyclic compoundsulfanilidesulfuric acid diamideorganic oxygen compoundsulfate-esterhydrocarbon derivativebenzenoidorganic nitrogen compoundhalobenzenephenoxy compoundsulfuric acid esterorganooxygen compound |
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