| Record Information |
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| HMDB Status | Not Available |
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| Creation Date | 2024-02-21 15:06:58 UTC |
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| Update Date | 2025-03-25 00:56:17 UTC |
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| HMDB ID | Not Available |
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| Metabolite Identification |
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| DeepMet ID | DMID02217430 |
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| Frequency | 0.5 |
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| Structure | |
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| Chemical Formula | C12H16N2O4S |
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| Molecular Mass | 284.0831 |
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| SMILES | O=C1NC2CSC(C=CC3CC(O)CC(=O)O3)C2N1 |
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| InChI Key | HDMLMGIWPXCBHT-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 acid estersdelta valerolactonesdialkylthioethershydrocarbon derivativesimidazolidinonesmonocarboxylic acids and derivativesorganic carbonic acids and derivativesorganic oxidesorganonitrogen compoundsorganopnictogen compoundsoxacyclic compoundsoxanessecondary alcoholsthiolanesthiophenes |
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| Substituents | thiolaneimidazolidinecarbonyl groupdelta valerolactonethiophenecarboxylic acid derivativelactonealiphatic heteropolycyclic compoundimidazolidinoneorganic oxideorganonitrogen compoundorganopnictogen compoundoxanedelta_valerolactonealcoholcarbonic acid derivativeazacycledialkylthioetherthienoimidazolidineoxacyclemonocarboxylic acid or derivativesorganic oxygen compoundthioethercarboxylic acid estersecondary alcoholhydrocarbon derivativeorganic nitrogen compoundorganooxygen compound |
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