| Record Information |
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| HMDB Status | Not Available |
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| Creation Date | 2024-02-21 15:00:48 UTC |
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| Update Date | 2025-03-25 00:53:57 UTC |
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| HMDB ID | Not Available |
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| Metabolite Identification |
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| DeepMet ID | DMID02203074 |
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| Frequency | 0.5 |
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| Structure | |
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| Chemical Formula | C8H11NO3S |
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| Molecular Mass | 201.046 |
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| SMILES | O=C1CC2CCC(C(=O)O)SC2N1 |
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| InChI Key | BFKZNTDTTRBHHM-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 heteropolycyclic compounds |
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| Alternative Parents | azacyclic compoundscarbonyl compoundscarboxylic acidsdialkylthioethershydrocarbon derivativeslactamsmonocarboxylic acids and derivativesorganic oxidesorganonitrogen compoundsorganopnictogen compoundspyrrolidine-2-onessecondary carboxylic acid amidesthiohemiaminal derivatives |
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| Substituents | 2-pyrrolidonecarbonyl grouplactamcarboxylic acidcarboxylic acid derivativealiphatic heteropolycyclic compoundorganic oxideorganonitrogen compoundhemithioaminalorganopnictogen compoundpyrrolidinepyrrolidonethianeazacycledialkylthioethercarboxamide groupsecondary carboxylic acid amidemonocarboxylic acid or derivativesorganic oxygen compoundthioetherhydrocarbon derivativeorganic nitrogen compoundorganooxygen compound |
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