| Record Information |
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| HMDB Status | Not Available |
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| Creation Date | 2024-02-21 15:02:20 UTC |
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| Update Date | 2025-03-25 00:54:28 UTC |
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| HMDB ID | Not Available |
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| Metabolite Identification |
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| DeepMet ID | DMID02206584 |
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| Frequency | 0.5 |
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| Structure | |
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| Chemical Formula | C8H13NO4S |
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| Molecular Mass | 219.0565 |
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| SMILES | O=C(O)C(CS)C(O)C1CCC(O)=N1 |
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| InChI Key | YMRWGZFXSFYLIK-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 | hydroxy acids and derivatives |
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| Subclass | beta hydroxy acids and derivatives |
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| Direct Parent | beta hydroxy acids and derivatives |
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| Geometric Descriptor | aliphatic heteromonocyclic compounds |
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| Alternative Parents | alkylthiolsazacyclic compoundscarbonyl compoundscarboxylic acidscyclic carboximidic acidshydrocarbon derivativesmonocarboxylic acids and derivativesorganic oxidesorganonitrogen compoundsorganopnictogen compoundsorganosulfur compoundspropargyl-type 1,3-dipolar organic compoundspyrrolinessecondary alcohols |
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| Substituents | carbonyl groupcarboxylic acidorganosulfur compoundcarboxylic acid derivativepropargyl-type 1,3-dipolar organic compoundbeta-hydroxy acidorganic oxidealiphatic heteromonocyclic compoundorganonitrogen compoundorganopnictogen compoundorganoheterocyclic compoundalcoholazacycleorganic 1,3-dipolar compoundmonocarboxylic acid or derivativespyrrolineorganic oxygen compoundsecondary alcoholhydrocarbon derivativeorganic nitrogen compoundcyclic carboximidic acidalkylthiolorganooxygen compound |
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