| Record Information |
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| HMDB Status | Not Available |
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| Creation Date | 2024-02-21 00:26:22 UTC |
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| Update Date | 2025-03-21 18:39:25 UTC |
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| HMDB ID | Not Available |
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| Metabolite Identification |
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| DeepMet ID | DMID00125537 |
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| Frequency | 20.4 |
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| Structure | |
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| Chemical Formula | C8H7NO5S |
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| Molecular Mass | 229.0045 |
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| SMILES | O=C1Cc2cccc(OS(=O)(=O)O)c2N1 |
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| InChI Key | XIJHTRIRLQNLDE-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 | organic sulfuric acids and derivatives |
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| Subclass | arylsulfates |
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| Direct Parent | arylsulfates |
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| Geometric Descriptor | aromatic heteropolycyclic compounds |
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| Alternative Parents | azacyclic compoundsbenzenoidscarbonyl compoundscarboxylic acids and derivativeshydrocarbon derivativesindolesindolineslactamsorganic oxidesorganonitrogen compoundsorganopnictogen compoundssecondary carboxylic acid amidessulfuric acid monoesters |
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| Substituents | sulfuric acid monoestercarbonyl grouplactamindolecarboxylic acid derivativeorganic oxidearomatic heteropolycyclic compoundorganonitrogen compoundorganopnictogen compoundarylsulfatedihydroindoleorganoheterocyclic compoundazacycleindole or derivativescarboxamide groupsecondary carboxylic acid amideorganic oxygen compoundsulfate-esterhydrocarbon derivativebenzenoidorganic nitrogen compoundsulfuric acid esterorganooxygen compound |
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