| Record Information |
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| HMDB Status | Not Available |
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| Creation Date | 2024-02-21 14:53:14 UTC |
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| Update Date | 2025-03-25 00:51:16 UTC |
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| HMDB ID | Not Available |
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| Metabolite Identification |
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| DeepMet ID | DMID02185868 |
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| Frequency | 0.5 |
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| Structure | |
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| Chemical Formula | C15H14N2O6S |
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| Molecular Mass | 350.0573 |
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| SMILES | O=C(CNC(=O)c1ccccc1)Nc1ccc(OS(=O)(=O)O)cc1 |
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| InChI Key | CKKDOLICJHIVAB-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 | alpha amino acid amidesalpha amino acidsanilidesbenzoyl derivativescarbonyl compoundscarboxylic acids and derivativeshydrocarbon derivativesn-acyl-alpha amino acidsn-arylamidesorganic oxidesorganopnictogen compoundsphenoxy compoundsphenylsulfatessecondary carboxylic acid amidessulfuric acid monoesters |
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| Substituents | sulfuric acid monoestercarbonyl groupbenzoyln-arylamidealpha-amino acid or derivativescarboxylic acid derivativephenylsulfateorganic oxideorganonitrogen compoundalpha-amino acidorganopnictogen compoundarylsulfaten-acyl-alpha amino acid or derivativesorganic sulfuric acid or derivativesalpha-amino acid amiden-acyl-alpha-amino acidhippuric acid or derivativescarboxamide groupn-substituted-alpha-amino acidaromatic homomonocyclic compoundanilidesecondary carboxylic acid amideorganic oxygen compoundsulfate-esterhydrocarbon derivativeorganic nitrogen compoundphenoxy compoundsulfuric acid esterorganooxygen compound |
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