| Record Information |
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| HMDB Status | Not Available |
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| Creation Date | 2024-02-21 15:09:44 UTC |
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| Update Date | 2025-03-25 00:57:17 UTC |
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| HMDB ID | Not Available |
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| Metabolite Identification |
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| DeepMet ID | DMID02223867 |
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| Frequency | 0.5 |
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| Structure | |
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| Chemical Formula | C8H13NO3S2 |
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| Molecular Mass | 235.0337 |
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| SMILES | NC(=O)CCC1CC(C(=O)O)CSS1 |
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| InChI Key | HPJSBNGAPDYODE-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 | dithianes |
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| Subclass | dithianes |
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| Direct Parent | dithianes |
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| Geometric Descriptor | aliphatic heteromonocyclic compounds |
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| Alternative Parents | carbonyl compoundscarboxylic acidsfatty amideshydrocarbon derivativesmonocarboxylic acids and derivativesorganic disulfidesorganic oxidesorganonitrogen compoundsorganopnictogen compoundsprimary carboxylic acid amides |
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| Substituents | primary carboxylic acid amidefatty acylcarbonyl groupcarboxylic acidfatty amidecarboxamide groupcarboxylic acid derivative1,2-dithianeorganic oxidemonocarboxylic acid or derivativesorganic oxygen compoundorganic disulfidealiphatic heteromonocyclic compoundorganonitrogen compoundorganopnictogen compoundhydrocarbon derivativeorganic nitrogen compoundorganooxygen compound |
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