| Record Information |
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| HMDB Status | Not Available |
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| Creation Date | 2024-02-21 14:56:49 UTC |
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| Update Date | 2025-03-25 00:52:28 UTC |
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| HMDB ID | Not Available |
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| Metabolite Identification |
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| DeepMet ID | DMID02193941 |
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| Frequency | 0.5 |
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| Structure | |
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| Chemical Formula | C13H17NO2S |
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| Molecular Mass | 251.098 |
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| SMILES | CCSC(=O)C(Cc1ccccc1)NC(C)=O |
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| InChI Key | PROJGSYYOJVROI-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 | acetamidesalpha amino acidsamphetamines and derivativesbenzene and substituted derivativescarbonyl compoundscarbothioic s-esterscarboxylic acids and derivativeshydrocarbon derivativesn-acyl-alpha amino acidsorganic oxidesorganonitrogen compoundsorganopnictogen compoundssecondary carboxylic acid amidessulfenyl compoundsthioestersthiolactones |
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| Substituents | monocyclic benzene moietycarbonyl grouporganosulfur compoundcarbothioic s-esterorganic oxideorganonitrogen compoundalpha-amino acidorganopnictogen compoundthiolactoneacetamideamphetamine or derivativesn-acyl-alpha amino acid or derivativesthiocarboxylic acid or derivativessulfenyl compoundn-acyl-alpha-amino acidthiocarboxylic acid estercarboxamide grouparomatic homomonocyclic compoundsecondary carboxylic acid amidephenylalanine or derivativesorganic oxygen compoundhydrocarbon derivativebenzenoidorganic nitrogen compoundorganooxygen compound |
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