| Record Information |
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| HMDB Status | Not Available |
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| Creation Date | 2024-02-21 14:51:03 UTC |
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| Update Date | 2025-03-25 00:50:26 UTC |
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| HMDB ID | Not Available |
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| Metabolite Identification |
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| DeepMet ID | DMID02180943 |
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| Frequency | 0.5 |
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| Structure | |
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| Chemical Formula | C8H13NO2S |
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| Molecular Mass | 187.0667 |
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| SMILES | O=C(O)CCC1NC2CSCC12 |
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| InChI Key | YCNQUEWYRUJKNO-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 | amino acidsazacyclic compoundsazetidinescarbonyl compoundscarboxylic acidsdialkylaminesdialkylthioethershydrocarbon derivativesmonocarboxylic acids and derivativesorganic oxidesorganopnictogen compounds |
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| Substituents | thiolanesecondary aliphatic aminecarbonyl groupcarboxylic acidazacycleamino acid or derivativesamino aciddialkylthioethersecondary aminecarboxylic acid derivativeazetidinealiphatic heteropolycyclic compoundorganic oxidemonocarboxylic acid or derivativesorganic oxygen compoundthioetherorganonitrogen compoundorganopnictogen compoundhydrocarbon derivativeorganic nitrogen compoundorganooxygen compoundamine |
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