| Record Information |
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| HMDB Status | Not Available |
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| Creation Date | 2024-02-20 23:53:59 UTC |
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| Update Date | 2025-03-21 18:04:03 UTC |
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| HMDB ID | Not Available |
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| Metabolite Identification |
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| DeepMet ID | DMID00048100 |
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| Frequency | 69.0 |
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| Structure | |
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| Chemical Formula | C9H13NO4S |
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| Molecular Mass | 231.0565 |
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| SMILES | CN(C)Cc1ccc(OS(=O)(=O)O)cc1 |
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| InChI Key | JZPSUMPSKISKPQ-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 | aralkylaminesbenzylamineshydrocarbon derivativesorganic oxidesorganooxygen compoundsorganopnictogen compoundsphenoxy compoundsphenylmethylaminessulfuric acid monoesterstrialkylamines |
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| Substituents | monocyclic benzene moietysulfuric acid monoestertertiary aliphatic aminearalkylaminearomatic homomonocyclic compoundphenylsulfateorganic oxidephenylmethylamineorganic oxygen compoundbenzylamineorganonitrogen compoundorganopnictogen compoundsulfate-esterhydrocarbon derivativebenzenoidorganic nitrogen compoundphenoxy compoundsulfuric acid esteraminetertiary amineorganooxygen compound |
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