| Record Information |
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| HMDB Status | Not Available |
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| Creation Date | 2024-02-20 23:58:05 UTC |
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| Update Date | 2025-03-21 18:05:34 UTC |
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| HMDB ID | Not Available |
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| Metabolite Identification |
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| DeepMet ID | DMID00057625 |
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| Frequency | 55.0 |
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| Structure | |
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| Chemical Formula | C10H11NO3S |
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| Molecular Mass | 225.046 |
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| SMILES | CSc1ccccc1C(=O)NCC(=O)O |
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| InChI Key | AUNIXSKRCVYJGL-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 | acyl glycines |
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| Geometric Descriptor | aromatic homomonocyclic compounds |
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| Alternative Parents | alkylarylthioethersalpha amino acidsbenzoyl derivativescarbonyl compoundscarboxylic acidshippuric acids and derivativeshydrocarbon derivativesmonocarboxylic acids and derivativeso-sulfanylbenzoic acids and derivativesorganic oxidesorganonitrogen compoundsorganopnictogen compoundssecondary carboxylic acid amidessulfenyl compoundsthiophenol ethersthiophenolsvinylogous thioesters |
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| Substituents | monocyclic benzene moietycarbonyl groupcarboxylic acidbenzoylalkylarylthioetherorganosulfur compoundbenzamidearyl thioetherorganic oxidethiophenolthiophenol etherorganonitrogen compoundalpha-amino acidorganopnictogen compoundvinylogous thioestersulfenyl compoundhippuric acid or derivativesbenzoic acid or derivativescarboxamide groupo-sulfanylbenzoic acid or derivativesn-acylglycinearomatic homomonocyclic compoundsecondary carboxylic acid amidemonocarboxylic acid or derivativesorganic oxygen compoundthioetherhydrocarbon derivativebenzenoidorganic nitrogen compoundorganooxygen compound |
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