| Record Information |
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| HMDB Status | Not Available |
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| Creation Date | 2024-02-21 14:37:07 UTC |
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| Update Date | 2025-03-25 00:45:26 UTC |
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| HMDB ID | Not Available |
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| Metabolite Identification |
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| DeepMet ID | DMID02149060 |
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| Frequency | 0.5 |
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| Structure | |
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| Chemical Formula | C6H7NO5S |
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| Molecular Mass | 205.0045 |
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| SMILES | O=C1NC2C1CS(=O)(=O)C2C(=O)O |
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| InChI Key | KBQBKZAFFOZKNU-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 | thiolanes |
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| Subclass | thiolanes |
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| Direct Parent | thiolanes |
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| Geometric Descriptor | aliphatic heteropolycyclic compounds |
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| Alternative Parents | azacyclic compoundsazetidinesbeta lactamscarbonyl compoundscarboxylic acidshydrocarbon derivativesmonocarboxylic acids and derivativesorganic oxidesorganonitrogen compoundsorganopnictogen compoundssecondary carboxylic acid amidessulfones |
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| Substituents | thiolanecarbonyl grouplactamcarboxylic acidazacyclecarboxamide groupcarboxylic acid derivativeazetidinealiphatic heteropolycyclic compoundsecondary carboxylic acid amideorganic oxidemonocarboxylic acid or derivativesorganic oxygen compoundorganonitrogen compoundorganopnictogen compoundhydrocarbon derivativeorganic nitrogen compoundbeta-lactamorganooxygen compoundsulfone |
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