| Record Information |
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| HMDB Status | Not Available |
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| Creation Date | 2024-02-21 14:53:46 UTC |
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| Update Date | 2025-03-25 00:51:27 UTC |
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| HMDB ID | Not Available |
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| Metabolite Identification |
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| DeepMet ID | DMID02187097 |
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| Frequency | 0.5 |
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| Structure | |
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| Chemical Formula | C11H15NO6S |
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| Molecular Mass | 289.062 |
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| SMILES | CC(C(=O)O)C(N)Cc1ccc(OS(=O)(=O)O)cc1 |
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| InChI Key | PQMWMZSRWMFLTG-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 | beta amino acids and derivatives |
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| Geometric Descriptor | aromatic homomonocyclic compounds |
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| Alternative Parents | amphetamines and derivativescarbonyl compoundscarboxylic acidshydrocarbon derivativesmonoalkylaminesmonocarboxylic acids and derivativesorganic oxidesorganonitrogen compoundsorganopnictogen compoundsphenoxy compoundsphenylsulfatessulfuric acid monoesters |
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| Substituents | monocyclic benzene moietysulfuric acid monoestercarbonyl groupcarboxylic acidphenylsulfateorganic oxideorganonitrogen compoundorganopnictogen compoundarylsulfateamphetamine or derivativesorganic sulfuric acid or derivativesbeta amino acid or derivativesaromatic homomonocyclic compoundmonocarboxylic acid or derivativesorganic oxygen compoundsulfate-esterhydrocarbon derivativebenzenoidprimary aliphatic amineorganic nitrogen compoundphenoxy compoundsulfuric acid esterorganooxygen compound |
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