| Record Information |
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| HMDB Status | Not Available |
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| Creation Date | 2024-02-21 15:09:10 UTC |
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| Update Date | 2025-03-25 00:57:05 UTC |
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| HMDB ID | Not Available |
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| Metabolite Identification |
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| DeepMet ID | DMID02222562 |
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| Frequency | 0.5 |
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| Structure | |
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| Chemical Formula | C9H9NO5S2 |
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| Molecular Mass | 274.9922 |
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| SMILES | O=C1Nc2ccccc2SCC1OS(=O)(=O)O |
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| InChI Key | URURVDMVXPOBQF-UHFFFAOYSA-N |
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| Chemical Taxonomy |
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| Kingdom | organic compounds |
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| Superclass | organoheterocyclic compounds |
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| Class | benzothiazepines |
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| Subclass | benzothiazepines |
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| Direct Parent | benzothiazepines |
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| Geometric Descriptor | aromatic heteropolycyclic compounds |
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| Alternative Parents | alkyl sulfatesalkylarylthioethersazacyclic compoundsbenzenoidscarbonyl compoundscarboxylic acids and derivativeshydrocarbon derivativeslactamsorganic oxidesorganonitrogen compoundsorganopnictogen compoundssecondary carboxylic acid amidessulfuric acid monoesters |
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| Substituents | sulfuric acid monoestercarbonyl grouplactamalkylarylthioethercarboxylic acid derivativearyl thioetherorganic oxidearomatic heteropolycyclic compoundalkyl sulfateorganonitrogen compoundorganopnictogen compoundbenzothiazepineorganic sulfuric acid or derivativesazacyclecarboxamide groupsecondary carboxylic acid amideorganic oxygen compoundthioethersulfate-esterhydrocarbon derivativebenzenoidorganic nitrogen compoundsulfuric acid esterorganooxygen compound |
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