| Record Information |
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| HMDB Status | Not Available |
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| Creation Date | 2024-02-21 00:23:09 UTC |
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| Update Date | 2025-03-21 18:37:55 UTC |
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| HMDB ID | Not Available |
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| Metabolite Identification |
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| DeepMet ID | DMID00117983 |
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| Frequency | 22.2 |
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| Structure | |
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| Chemical Formula | C12H14N2O5S2 |
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| Molecular Mass | 330.0344 |
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| SMILES | O=C1NC2CSC(Cc3ccc(OS(=O)(=O)O)cc3)C2N1 |
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| InChI Key | LTQIXRLIBVWDIE-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 | organic sulfuric acids and derivatives |
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| Subclass | arylsulfates |
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| Direct Parent | phenylsulfates |
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| Geometric Descriptor | aromatic heteropolycyclic compounds |
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| Alternative Parents | azacyclic compoundscarbonyl compoundsdialkylthioethershydrocarbon derivativesimidazolidinonesorganic carbonic acids and derivativesorganic oxidesorganonitrogen compoundsorganopnictogen compoundsphenoxy compoundssulfuric acid monoestersthienoimidazolidinesthiolanesthiophenes |
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| Substituents | thiolaneimidazolidinemonocyclic benzene moietysulfuric acid monoestercarbonyl groupthiophenephenylsulfateimidazolidinoneorganic oxidearomatic heteropolycyclic compoundorganonitrogen compoundorganopnictogen compoundorganoheterocyclic compoundcarbonic acid derivativeazacycledialkylthioetherthienoimidazolidineorganic oxygen compoundthioethersulfate-esterhydrocarbon derivativebenzenoidorganic nitrogen compoundphenoxy compoundsulfuric acid esterorganooxygen compound |
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