| Record Information |
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| HMDB Status | Not Available |
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| Creation Date | 2024-02-20 23:34:52 UTC |
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| Update Date | 2025-03-21 17:56:47 UTC |
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| HMDB ID | Not Available |
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| Metabolite Identification |
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| DeepMet ID | DMID00003549 |
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| Frequency | 1638.4 |
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| Structure | |
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| Chemical Formula | C8H12N2O5S |
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| Molecular Mass | 248.0467 |
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| SMILES | O=C(O)CCC1C2NC(=O)NC2CS1(=O)=O |
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| InChI Key | VARSEGKYFXOSDN-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 | thienoimidazolidines |
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| Subclass | thienoimidazolidines |
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| Direct Parent | thienoimidazolidines |
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| Geometric Descriptor | aliphatic heteropolycyclic compounds |
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| Alternative Parents | azacyclic compoundscarbonyl compoundscarboxylic acidshydrocarbon derivativesimidazolidinonesmonocarboxylic acids and derivativesorganic carbonic acids and derivativesorganic oxidesorganonitrogen compoundsorganopnictogen compoundssulfonesthiolanesthiophenes |
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| Substituents | thiolaneimidazolidinecarbonyl groupcarbonic acid derivativecarboxylic acidazacyclethienoimidazolidinethiophenecarboxylic acid derivativealiphatic heteropolycyclic compoundimidazolidinoneorganic oxidemonocarboxylic acid or derivativesorganic oxygen compoundorganonitrogen compoundorganopnictogen compoundhydrocarbon derivativeorganic nitrogen compoundorganooxygen compoundsulfone |
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