| Record Information |
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| HMDB Status | Not Available |
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| Creation Date | 2024-02-20 23:49:05 UTC |
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| Update Date | 2025-03-21 18:02:06 UTC |
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| HMDB ID | Not Available |
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| Metabolite Identification |
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| DeepMet ID | DMID00036351 |
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| Frequency | 97.4 |
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| Structure | |
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| Chemical Formula | C8H9NO5S |
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| Molecular Mass | 231.0201 |
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| SMILES | NC(=O)Cc1cccc(OS(=O)(=O)O)c1 |
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| InChI Key | DIVCVXZQMFWGEN-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 | carbonyl compoundscarboxylic acids and derivativeshydrocarbon derivativesorganic oxidesorganonitrogen compoundsorganopnictogen compoundsphenoxy compoundsphenylacetamidesprimary carboxylic acid amidessulfuric acid monoesters |
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| Substituents | primary carboxylic acid amidemonocyclic benzene moietysulfuric acid monoestercarbonyl groupcarboxamide groupcarboxylic acid derivativearomatic homomonocyclic compoundphenylsulfateorganic oxideorganic oxygen compoundorganonitrogen compoundorganopnictogen compoundsulfate-esterhydrocarbon derivativebenzenoidorganic nitrogen compoundphenoxy compoundsulfuric acid esterphenylacetamideorganooxygen compound |
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