| Record Information |
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| HMDB Status | Not Available |
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| Creation Date | 2024-02-21 15:08:18 UTC |
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| Update Date | 2025-03-25 00:56:45 UTC |
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| HMDB ID | Not Available |
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| Metabolite Identification |
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| DeepMet ID | DMID02220575 |
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| Frequency | 0.5 |
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| Structure | |
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| Chemical Formula | C10H11NO9S |
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| Molecular Mass | 321.0155 |
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| SMILES | O=C(O)CNC(C(=O)O)c1ccc(OS(=O)(=O)O)c(O)c1 |
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| InChI Key | IWNNCEPWCKURQU-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 homomonocyclic compounds |
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| Alternative Parents | 1-hydroxy-2-unsubstituted benzenoids1-hydroxy-4-unsubstituted benzenoidsalpha amino acidsamino acidscarbonyl compoundscarboxylic acidsdialkylaminesdicarboxylic acids and derivativeshydrocarbon derivativesorganic oxidesorganopnictogen compoundsphenoxy compoundssulfuric acid monoesters |
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| Substituents | monocyclic benzene moietysulfuric acid monoestercarbonyl groupcarboxylic acidamino acid or derivativesamino acid1-hydroxy-2-unsubstituted benzenoidalpha-amino acid or derivativescarboxylic acid derivativephenylsulfateorganic oxideorganonitrogen compoundalpha-amino acidorganopnictogen compoundsecondary aliphatic amine1-hydroxy-4-unsubstituted benzenoidsecondary aminearomatic homomonocyclic compoundorganic oxygen compounddicarboxylic acid or derivativessulfate-esterphenolhydrocarbon derivativebenzenoidorganic nitrogen compoundphenoxy compoundsulfuric acid esterorganooxygen compoundamine |
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