| Record Information |
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| HMDB Status | Not Available |
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| Creation Date | 2024-02-21 14:55:07 UTC |
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| Update Date | 2025-03-25 00:51:54 UTC |
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| HMDB ID | Not Available |
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| Metabolite Identification |
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| DeepMet ID | DMID02190168 |
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| Frequency | 0.5 |
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| Structure | |
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| Chemical Formula | C10H11NO7S |
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| Molecular Mass | 289.0256 |
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| SMILES | CC(=O)NC(C(=O)O)c1cccc(OS(=O)(=O)O)c1 |
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| InChI Key | ZSLLOTXUHKBCOV-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 | amino acids, peptides, and analogues |
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| Direct Parent | n-acyl-alpha amino acids |
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| Geometric Descriptor | aromatic homomonocyclic compounds |
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| Alternative Parents | acetamidesalpha amino acidscarbonyl compoundscarboxylic acidshydrocarbon derivativesmonocarboxylic acids and derivativesorganic oxidesorganonitrogen compoundsorganopnictogen compoundsphenoxy compoundsphenylsulfatessecondary carboxylic acid amidessulfuric acid monoesters |
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| Substituents | monocyclic benzene moietysulfuric acid monoestercarbonyl groupcarboxylic acidphenylsulfateorganic oxideorganonitrogen compoundalpha-amino acidorganopnictogen compoundarylsulfateacetamideorganic sulfuric acid or derivativesn-acyl-alpha-amino acidcarboxamide grouparomatic homomonocyclic compoundsecondary carboxylic acid amidemonocarboxylic acid or derivativesorganic oxygen compoundsulfate-esterhydrocarbon derivativebenzenoidorganic nitrogen compoundphenoxy compoundsulfuric acid esterorganooxygen compound |
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