| Record Information |
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| HMDB Status | Not Available |
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| Creation Date | 2024-02-21 14:51:10 UTC |
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| Update Date | 2025-03-25 00:50:28 UTC |
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| HMDB ID | Not Available |
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| Metabolite Identification |
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| DeepMet ID | DMID02181188 |
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| Frequency | 0.5 |
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| Structure | |
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| Chemical Formula | C12H16N2O7S |
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| Molecular Mass | 332.0678 |
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| SMILES | O=C(O)CC(OC(=O)CCC1SCC2NC(=O)NC21)C(=O)O |
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| InChI Key | DJYTZABSAVLVIZ-UHFFFAOYSA-N |
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| Chemical Taxonomy |
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| Kingdom | organic compounds |
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| Superclass | organic acids and derivatives |
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| Class | carboxylic acids and derivatives |
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| Subclass | tricarboxylic acids and derivatives |
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| Direct Parent | tricarboxylic acids and derivatives |
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| Geometric Descriptor | aliphatic heteropolycyclic compounds |
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| Alternative Parents | azacyclic compoundscarbonyl compoundscarboxylic acid esterscarboxylic acidsdialkylthioethersfatty acid estershydrocarbon derivativesimidazolidinonesorganic carbonic acids and derivativesorganic oxidesorganonitrogen compoundsorganopnictogen compoundsthienoimidazolidinesthiolanesthiophenes |
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| Substituents | thiolaneimidazolidinefatty acylcarbonyl groupcarboxylic acidtricarboxylic acid or derivativesthiophenealiphatic heteropolycyclic compoundimidazolidinoneorganic oxideorganonitrogen compoundorganopnictogen compoundorganoheterocyclic compoundcarbonic acid derivativeazacycledialkylthioetherthienoimidazolidinefatty acid esterorganic oxygen compoundthioethercarboxylic acid esterhydrocarbon derivativeorganic nitrogen compoundorganooxygen compound |
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