| Record Information |
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| HMDB Status | Not Available |
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| Creation Date | 2024-02-21 15:17:35 UTC |
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| Update Date | 2025-03-25 01:00:10 UTC |
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| HMDB ID | Not Available |
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| Metabolite Identification |
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| DeepMet ID | DMID02241429 |
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| Frequency | 0.5 |
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| Structure | |
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| Chemical Formula | C10H11NO7S |
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| Molecular Mass | 289.0256 |
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| SMILES | CC(NC(=O)c1ccccc1OS(=O)(=O)O)C(=O)O |
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| InChI Key | YJAIKVPKIHBGOL-UHFFFAOYSA-N |
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| Chemical Taxonomy |
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| Kingdom | organic compounds |
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| Superclass | benzenoids |
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| Class | benzene and substituted derivatives |
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| Subclass | benzoic acids and derivatives |
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| Direct Parent | hippuric acids and derivatives |
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| Geometric Descriptor | aromatic homomonocyclic compounds |
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| Alternative Parents | alanine and derivativesalpha amino acidsbenzoyl derivativescarbonyl compoundscarboxylic acidshydrocarbon derivativesmonocarboxylic acids and derivativesn-acyl-alpha amino acidsorganic oxidesorganonitrogen compoundsorganopnictogen compoundsphenoxy compoundsphenylsulfatessecondary carboxylic acid amidessulfuric acid monoesters |
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| Substituents | sulfuric acid monoestercarbonyl groupcarboxylic acidbenzoylalpha-amino acid or derivativescarboxylic acid derivativephenylsulfateorganic oxideorganonitrogen compoundalpha-amino acidorganopnictogen compoundarylsulfaten-acyl-alpha amino acid or derivativesorganic sulfuric acid or derivativesn-acyl-alpha-amino acidhippuric acid or derivativescarboxamide grouparomatic homomonocyclic compoundsecondary carboxylic acid amidemonocarboxylic acid or derivativesorganic oxygen compoundalanine or derivativessulfate-esterhydrocarbon derivativeorganic nitrogen compoundphenoxy compoundsulfuric acid esterorganooxygen compound |
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