| Record Information |
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| HMDB Status | Not Available |
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| Creation Date | 2024-02-21 15:10:48 UTC |
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| Update Date | 2025-03-25 00:57:39 UTC |
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| HMDB ID | Not Available |
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| Metabolite Identification |
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| DeepMet ID | DMID02226171 |
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| Frequency | 0.5 |
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| Structure | |
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| Chemical Formula | C8H13NO5S |
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| Molecular Mass | 235.0514 |
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| SMILES | CC(=O)NC1CSC(O)(C(=O)O)CC1O |
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| InChI Key | KYHQIUCRXDCVHX-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 | thianes |
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| Subclass | thianes |
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| Direct Parent | thianes |
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| Geometric Descriptor | aliphatic heteromonocyclic compounds |
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| Alternative Parents | acetamidesalpha hydroxy acids and derivativescarbonyl compoundscarboxylic acidshydrocarbon derivativesmonocarboxylic acids and derivativesorganic oxidesorganonitrogen compoundsorganopnictogen compoundssecondary alcoholssecondary carboxylic acid amides |
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| Substituents | alcoholcarbonyl groupcarboxylic acidalpha-hydroxy acidhydroxy acidcarboxamide groupcarboxylic acid derivativesecondary carboxylic acid amideorganic oxidemonocarboxylic acid or derivativesorganic oxygen compoundaliphatic heteromonocyclic compoundorganonitrogen compoundsecondary alcoholorganopnictogen compoundhydrocarbon derivativeorganic nitrogen compoundacetamideorganooxygen compoundthiane |
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