| Record Information |
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| HMDB Status | Not Available |
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| Creation Date | 2024-02-21 00:20:06 UTC |
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| Update Date | 2025-03-21 18:36:25 UTC |
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| HMDB ID | Not Available |
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| Metabolite Identification |
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| DeepMet ID | DMID00110579 |
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| Frequency | 24.1 |
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| Structure | |
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| Chemical Formula | C10H10N2O6S |
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| Molecular Mass | 286.026 |
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| SMILES | O=C1NC(=O)C(Cc2ccc(OS(=O)(=O)O)cc2)N1 |
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| InChI Key | WFIGYNHDGVXUKO-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 heteromonocyclic compounds |
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| Alternative Parents | alpha amino acidsazacyclic compoundscarbonyl compoundscarboxylic acids and derivativesdicarboximideshydantoinshydrocarbon derivativesimidazolidinonesorganic carbonic acids and derivativesorganic oxidesorganonitrogen compoundsorganopnictogen compoundsphenoxy compoundssulfuric acid monoesters |
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| Substituents | imidazolidinemonocyclic benzene moietysulfuric acid monoestercarbonyl grouparomatic heteromonocyclic compoundalpha-amino acid or derivativescarboxylic acid derivativephenylsulfateimidazolidinoneorganic oxideorganonitrogen compoundalpha-amino acidorganopnictogen compounddicarboximideorganoheterocyclic compoundcarbonic acid derivativeazacycleorganic oxygen compoundhydantoinsulfate-esterhydrocarbon derivativebenzenoidorganic nitrogen compoundphenoxy compoundsulfuric acid esterorganooxygen compound |
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