| Record Information |
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| HMDB Status | Not Available |
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| Creation Date | 2024-02-21 14:53:32 UTC |
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| Update Date | 2025-03-25 00:51:22 UTC |
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| HMDB ID | Not Available |
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| Metabolite Identification |
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| DeepMet ID | DMID02186549 |
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| Frequency | 0.5 |
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| Structure | |
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| Chemical Formula | C8H13NO3S |
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| Molecular Mass | 203.0616 |
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| SMILES | NC1CSCC(CCC(=O)O)C1=O |
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| InChI Key | MMTLUHIPLWGFFN-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 | carboxylic acidscyclic ketonesdialkylthioethershydrocarbon derivativesmonoalkylaminesmonocarboxylic acids and derivativesorganic oxidesorganonitrogen compoundsorganopnictogen compounds |
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| Substituents | carbonyl groupcarboxylic aciddialkylthioethercyclic ketonecarboxylic acid derivativeketoneorganic oxidemonocarboxylic acid or derivativesorganic oxygen compoundthioetheraliphatic heteromonocyclic compoundorganonitrogen compoundorganopnictogen compoundhydrocarbon derivativeprimary aliphatic amineorganic nitrogen compoundorganooxygen compoundthiane |
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