| Record Information |
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| HMDB Status | Not Available |
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| Creation Date | 2024-02-21 14:41:38 UTC |
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| Update Date | 2025-03-25 00:47:05 UTC |
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| HMDB ID | Not Available |
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| Metabolite Identification |
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| DeepMet ID | DMID02159405 |
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| Frequency | 0.5 |
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| Structure | |
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| Chemical Formula | C6H6ClNO7S2 |
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| Molecular Mass | 302.9274 |
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| SMILES | O=S(=O)(O)Nc1cc(Cl)ccc1OS(=O)(=O)O |
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| InChI Key | GAEYJDNJXJFEJV-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 monoamidessulfuric acid monoesters |
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| Substituents | monocyclic benzene moietysulfuric acid monoesterorganochlorideorganohalogen compoundphenylsulfateorganic oxideorganonitrogen compoundorganopnictogen compoundaryl chloridechlorobenzenearyl halidearomatic homomonocyclic compoundsulfanilideorganic oxygen compoundsulfuric acid monoamidesulfate-esterhydrocarbon derivativebenzenoidorganic nitrogen compoundhalobenzenephenoxy compoundsulfuric acid esterorganooxygen compound |
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