| Record Information |
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| HMDB Status | Not Available |
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| Creation Date | 2024-02-21 00:18:42 UTC |
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| Update Date | 2025-03-21 18:35:46 UTC |
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| HMDB ID | Not Available |
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| Metabolite Identification |
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| DeepMet ID | DMID00107157 |
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| Frequency | 25.1 |
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| Structure | |
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| Chemical Formula | C7H7NO6S |
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| Molecular Mass | 232.9994 |
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| SMILES | NC(=O)c1ccc(O)c(OS(=O)(=O)O)c1 |
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| InChI Key | LAKXIQHKBZHMHG-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 benzenoidsbenzamidesbenzoyl derivativescarboxylic acids and derivativeshydrocarbon derivativesorganic oxidesorganonitrogen compoundsorganooxygen compoundsorganopnictogen compoundsphenoxy compoundsprimary carboxylic acid amidessulfuric acid monoesters |
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| Substituents | primary carboxylic acid amidemonocyclic benzene moietysulfuric acid monoesterbenzoyl1-hydroxy-2-unsubstituted benzenoidcarboxylic acid derivativebenzamidephenylsulfateorganic oxideorganonitrogen compoundorganopnictogen compoundbenzoic acid or derivativescarboxamide grouparomatic homomonocyclic compoundorganic oxygen compoundsulfate-esterphenolhydrocarbon derivativebenzenoidorganic nitrogen compoundphenoxy compoundsulfuric acid esterorganooxygen compound |
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