| Record Information |
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| HMDB Status | Not Available |
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| Creation Date | 2024-02-21 00:30:35 UTC |
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| Update Date | 2025-03-21 18:41:39 UTC |
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| HMDB ID | Not Available |
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| Metabolite Identification |
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| DeepMet ID | DMID00135363 |
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| Frequency | 18.5 |
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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 | CSc1ccc(C(=O)NCC(=O)O)cc1 |
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| InChI Key | ZEZBZTXWTIPVSG-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 derivativesorganic oxidesorganonitrogen compoundsorganopnictogen compoundsp-sulfanylbenzoic acids and derivativessecondary carboxylic acid amidessulfenyl compoundsthiophenol ethersthiophenols |
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| Substituents | monocyclic benzene moietycarbonyl groupcarboxylic acidbenzoylalkylarylthioetherorganosulfur compoundbenzamidearyl thioetherorganic oxidethiophenolthiophenol etherorganonitrogen compoundalpha-amino acidorganopnictogen compoundsulfenyl compoundhippuric acid or derivativesbenzoic acid or derivativescarboxamide groupn-acylglycinearomatic homomonocyclic compoundsecondary carboxylic acid amidemonocarboxylic acid or derivativesorganic oxygen compoundp-sulfanylbenzoic acid or derivativesthioetherhydrocarbon derivativebenzenoidorganic nitrogen compoundorganooxygen compound |
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