| Record Information |
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| HMDB Status | Not Available |
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| Creation Date | 2024-02-21 00:03:44 UTC |
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| Update Date | 2025-03-21 18:28:19 UTC |
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| HMDB ID | Not Available |
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| Metabolite Identification |
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| DeepMet ID | DMID00071067 |
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| Frequency | 42.2 |
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| Structure | |
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| Chemical Formula | C12H18N2O3S |
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| Molecular Mass | 270.1038 |
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| SMILES | Cc1cccc(C)c1NC(=O)CN(C)S(C)(=O)=O |
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| InChI Key | UPXIWNBAJRUSJS-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 | alpha amino acids |
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| Geometric Descriptor | aromatic homomonocyclic compounds |
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| Alternative Parents | aminosulfonyl compoundsanilidescarbonyl compoundscarboxylic acids and derivativeshydrocarbon derivativesn-arylamidesorganic oxidesorganic sulfonamidesorganopnictogen compoundsorganosulfonamidessecondary carboxylic acid amidesm-xylenes |
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| Substituents | organosulfonic acid or derivativesmonocyclic benzene moietycarbonyl groupn-arylamideorganosulfur compoundorganosulfonic acid amidexyleneorganic oxideorganonitrogen compoundalpha-amino acidorganopnictogen compoundaminosulfonyl compoundm-xylenecarboxamide grouparomatic homomonocyclic compoundanilidesecondary carboxylic acid amidesulfonylorganic oxygen compoundorganic sulfonic acid or derivativeshydrocarbon derivativebenzenoidorganic nitrogen compoundorganic sulfonic acid amideorganooxygen compound |
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