| Record Information |
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| HMDB Status | Not Available |
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| Creation Date | 2024-02-21 00:02:34 UTC |
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| Update Date | 2025-03-21 18:07:17 UTC |
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| HMDB ID | Not Available |
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| Metabolite Identification |
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| DeepMet ID | DMID00068279 |
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| Frequency | 44.4 |
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| Structure | |
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| Chemical Formula | C9H12N2O6S |
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| Molecular Mass | 276.0416 |
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| SMILES | COc1cc(OS(=O)(=O)O)ccc1NC(=O)CN |
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| InChI Key | CLUHBWYMGSSMKR-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 | carboxylic acids and derivatives |
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| Subclass | amino acids, peptides, and analogues |
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| Direct Parent | alpha amino acid amides |
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| Geometric Descriptor | aromatic homomonocyclic compounds |
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| Alternative Parents | alkyl aryl ethersalpha amino acidsanilidesanisolescarbonyl compoundscarboxylic acids and derivativeshydrocarbon derivativesmethoxybenzenesmonoalkylaminesn-arylamidesorganic oxidesorganopnictogen compoundsphenoxy compoundsphenylsulfatessecondary carboxylic acid amidessulfuric acid monoesters |
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| Substituents | phenol ethermonocyclic benzene moietysulfuric acid monoestercarbonyl groupethern-arylamidealkyl aryl etherphenylsulfateorganic oxideorganonitrogen compoundalpha-amino acidorganopnictogen compoundarylsulfateorganic sulfuric acid or derivativesalpha-amino acid amidecarboxamide groupmethoxybenzenearomatic homomonocyclic compoundanilidesecondary carboxylic acid amideorganic oxygen compoundanisolesulfate-esterhydrocarbon derivativebenzenoidprimary aliphatic amineorganic nitrogen compoundphenoxy compoundsulfuric acid esterorganooxygen compound |
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