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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