| Record Information |
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| HMDB Status | Not Available |
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| Creation Date | 2024-02-21 14:39:55 UTC |
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| Update Date | 2025-03-25 00:46:31 UTC |
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| HMDB ID | Not Available |
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| Metabolite Identification |
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| DeepMet ID | DMID02155664 |
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| Frequency | 0.5 |
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| Structure | |
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| Chemical Formula | C16H17NO7S |
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| Molecular Mass | 367.0726 |
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| SMILES | Cc1cccc(O)c1OS(=O)(=O)Oc1ccc(CC(N)C(=O)O)cc1 |
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| InChI Key | HMLKUTSPZUTJCJ-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 | phenylalanine and derivatives |
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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 acidsamphetamines and derivativesarylsulfatescarbonyl compoundscarboxylic acidshydrocarbon derivativesmeta cresolsmonoalkylaminesmonocarboxylic acids and derivativesorganic oxidesorganonitrogen compoundsorganopnictogen compoundsphenoxy compoundsphenylpropanoic acidssulfuric acid diesterstoluenes |
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| Substituents | monocyclic benzene moietycarbonyl groupcarboxylic acid3-phenylpropanoic-acid1-hydroxy-2-unsubstituted benzenoidorganic oxidesulfuric acid diesterorganonitrogen compoundalpha-amino acidorganopnictogen compoundarylsulfateamphetamine or derivativesorganic sulfuric acid or derivativesm-cresol1-hydroxy-4-unsubstituted benzenoidaromatic homomonocyclic compoundmonocarboxylic acid or derivativesphenylalanine or derivativesorganic oxygen compoundphenolhydrocarbon derivativebenzenoidprimary aliphatic amineorganic nitrogen compoundphenoxy compoundsulfuric acid estertolueneorganooxygen compound |
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