| Record Information |
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| HMDB Status | Not Available |
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| Creation Date | 2024-02-21 14:41:09 UTC |
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| Update Date | 2025-03-25 00:46:56 UTC |
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| HMDB ID | Not Available |
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| Metabolite Identification |
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| DeepMet ID | DMID02158318 |
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| Frequency | 0.5 |
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| Structure | |
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| Chemical Formula | C9H9NO3S |
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| Molecular Mass | 211.0303 |
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| SMILES | O=C(O)CNC(=O)c1cccc(S)c1 |
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| InChI Key | RODNSJSXWSLKSY-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 | alpha amino acidsbenzoyl derivativescarbonyl compoundscarboxylic acidshippuric acids and derivativeshydrocarbon derivativesm-sulfanylbenzoic acids and derivativesmonocarboxylic acids and derivativesorganic oxidesorganonitrogen compoundsorganopnictogen compoundssecondary carboxylic acid amidesthiolsthiophenols |
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| Substituents | monocyclic benzene moietycarbonyl groupcarboxylic acidbenzoylorganosulfur compoundbenzamideorganic oxidethiophenolorganonitrogen compoundalpha-amino acidorganopnictogen compoundhippuric acid or derivativesbenzoic acid or derivativesarylthiolcarboxamide groupn-acylglycinearomatic homomonocyclic compoundsecondary carboxylic acid amidemonocarboxylic acid or derivativesorganic oxygen compoundhydrocarbon derivativebenzenoidorganic nitrogen compoundm-sulfanylbenzoic acid or derivativesorganooxygen compound |
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