| Record Information |
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| HMDB Status | Not Available |
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| Creation Date | 2024-02-21 15:17:12 UTC |
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| Update Date | 2025-03-25 01:00:00 UTC |
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| HMDB ID | Not Available |
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| Metabolite Identification |
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| DeepMet ID | DMID02240585 |
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| Frequency | 0.5 |
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| Structure | |
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| Chemical Formula | C10H13NO5S |
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| Molecular Mass | 259.0514 |
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| SMILES | CC(C(=O)O)N(c1ccc(O)cc1)S(C)(=O)=O |
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| InChI Key | DDMXPLXMSARPOY-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 | alanine and derivatives |
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| Geometric Descriptor | aromatic homomonocyclic compounds |
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| Alternative Parents | 1-hydroxy-2-unsubstituted benzenoidsalpha amino acidsaminosulfonyl compoundscarbonyl compoundscarboxylic acidshydrocarbon derivativesmonocarboxylic acids and derivativesorganic oxidesorganic sulfonamidesorganonitrogen compoundsorganopnictogen compoundsorganosulfonamidessulfanilides |
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| Substituents | organosulfonic acid or derivativesmonocyclic benzene moietycarbonyl groupcarboxylic acid1-hydroxy-2-unsubstituted benzenoidorganosulfur compoundorganosulfonic acid amideorganic oxideorganonitrogen compoundalpha-amino acidorganopnictogen compoundaminosulfonyl compoundaromatic homomonocyclic compoundsulfanilidemonocarboxylic acid or derivativessulfonylorganic oxygen compoundorganic sulfonic acid or derivativesalanine or derivativesphenolhydrocarbon derivativebenzenoidorganic nitrogen compoundorganic sulfonic acid amideorganooxygen compound |
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