| Record Information |
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| HMDB Status | Not Available |
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| Creation Date | 2024-02-20 23:48:57 UTC |
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| Update Date | 2025-03-21 18:02:02 UTC |
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| HMDB ID | Not Available |
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| Metabolite Identification |
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| DeepMet ID | DMID00036012 |
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| Frequency | 98.5 |
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| Structure | |
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| Chemical Formula | C7H7NO5S |
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| Molecular Mass | 217.0045 |
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| SMILES | NC(=O)c1ccccc1OS(=O)(=O)O |
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| InChI Key | LLPGFORTLHNELX-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 | benzamidesbenzoyl 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 monoesterbenzoylbenzoic acid or derivativescarboxamide groupcarboxylic acid derivativebenzamidearomatic homomonocyclic compoundphenylsulfateorganic oxideorganic oxygen compoundorganonitrogen compoundorganopnictogen compoundsulfate-esterhydrocarbon derivativebenzenoidorganic nitrogen compoundphenoxy compoundsulfuric acid esterorganooxygen compound |
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