| Record Information |
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| HMDB Status | Not Available |
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| Creation Date | 2024-02-21 15:22:20 UTC |
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| Update Date | 2025-03-25 01:01:54 UTC |
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| HMDB ID | Not Available |
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| Metabolite Identification |
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| DeepMet ID | DMID02252436 |
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| Frequency | 0.5 |
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| Structure | |
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| Chemical Formula | C8H10ClNO5S |
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| Molecular Mass | 266.9968 |
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| SMILES | NCCc1cc(OS(=O)(=O)O)c(Cl)cc1O |
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| InChI Key | XLIWILQDIAKXSQ-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 | 1-hydroxy-2-unsubstituted benzenoidsaryl chlorideschlorobenzeneshalophenolshydrocarbon derivativesm-chlorophenolsmonoalkylaminesorganic oxidesorganochloridesorganonitrogen compoundsorganooxygen compoundsorganopnictogen compoundsphenoxy compoundssulfuric acid monoesters |
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| Substituents | monocyclic benzene moietysulfuric acid monoesterorganochloride1-hydroxy-2-unsubstituted benzenoidorganohalogen compoundphenylsulfateorganic oxideorganonitrogen compoundorganopnictogen compoundaryl chloridechlorobenzene3-halophenol3-chlorophenolaryl halidearomatic homomonocyclic compoundorganic oxygen compoundsulfate-esterphenolhydrocarbon derivativebenzenoidprimary aliphatic amineorganic nitrogen compoundhalobenzenephenoxy compoundsulfuric acid esterorganooxygen compound |
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