| Record Information |
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| HMDB Status | Not Available |
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| Creation Date | 2024-02-21 00:01:53 UTC |
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| Update Date | 2025-03-21 18:07:01 UTC |
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| HMDB ID | Not Available |
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| Metabolite Identification |
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| DeepMet ID | DMID00066648 |
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| Frequency | 45.8 |
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| Structure | |
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| Chemical Formula | C8H8N2O6S |
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| Molecular Mass | 260.0103 |
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| SMILES | O=C1C(OS(=O)(=O)O)Nc2ccccc2N1O |
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| InChI Key | WJBXKYGDAHQOSU-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 acids |
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| Geometric Descriptor | aromatic heteropolycyclic compounds |
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| Alternative Parents | alkyl sulfatesazacyclic compoundsbenzenoidscarbonyl compoundscarboxylic acids and derivativeshydrocarbon derivativeshydroxamic acidsorganic oxidesorganopnictogen compoundssecondary alkylarylaminessulfuric acid monoesters |
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| Substituents | sulfuric acid monoestercarbonyl grouporganic oxidearomatic heteropolycyclic compoundalkyl sulfateorganonitrogen compoundalpha-amino acidorganopnictogen compoundorganoheterocyclic compoundorganic sulfuric acid or derivativesazacyclesecondary aminesecondary aliphatic/aromatic amineorganic oxygen compoundsulfate-esterhydrocarbon derivativebenzenoidorganic nitrogen compoundhydroxamic acidsulfuric acid esterorganooxygen compoundamine |
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