| Record Information |
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| HMDB Status | Not Available |
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| Creation Date | 2024-02-21 00:26:26 UTC |
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| Update Date | 2025-03-21 18:39:27 UTC |
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| HMDB ID | Not Available |
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| Metabolite Identification |
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| DeepMet ID | DMID00125698 |
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| Frequency | 20.4 |
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| Structure | |
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| Chemical Formula | C11H16N2O5S |
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| Molecular Mass | 288.078 |
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| SMILES | NC(Cc1ccc(O)cc1)C(=O)NCCS(=O)(=O)O |
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| InChI Key | CEMCDWBEMPVIEH-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 | tyrosine and derivatives |
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| Geometric Descriptor | aromatic homomonocyclic compounds |
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| Alternative Parents | 1-hydroxy-2-unsubstituted benzenoidsalpha amino acid amidesalpha amino acidsamphetamines and derivativesbenzene and substituted derivativescarbonyl compoundscarboxylic acids and derivativesfatty amideshydrocarbon derivativesmonoalkylaminesorganic oxidesorganonitrogen compoundsorganopnictogen compoundsorganosulfonic acidsphenylalanine and derivativessecondary carboxylic acid amidessulfonyls |
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| Substituents | fatty acylorganosulfonic acid or derivativesmonocyclic benzene moietycarbonyl grouporganosulfonic acidfatty amide1-hydroxy-2-unsubstituted benzenoidorganosulfur compoundorganic oxideorganonitrogen compoundalpha-amino acidorganopnictogen compoundamphetamine or derivativestyrosine or derivativesalpha-amino acid amidecarboxamide grouparomatic homomonocyclic compoundsecondary carboxylic acid amidesulfonylphenylalanine or derivativesorganic oxygen compoundorganic sulfonic acid or derivativesphenolhydrocarbon derivativebenzenoidprimary aliphatic amineorganic nitrogen compoundorganooxygen compound |
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