| Record Information |
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| HMDB Status | Not Available |
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| Creation Date | 2024-02-21 00:31:02 UTC |
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| Update Date | 2025-03-21 18:41:51 UTC |
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| HMDB ID | Not Available |
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| Metabolite Identification |
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| DeepMet ID | DMID00136424 |
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| Frequency | 18.4 |
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| Structure | |
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| Chemical Formula | C12H15NO5S |
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| Molecular Mass | 285.0671 |
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| SMILES | CCN(CC)C(=O)S(=O)(=O)c1ccc(C(=O)O)cc1 |
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| InChI Key | MKBPOENHBFWFBV-UHFFFAOYSA-N |
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| Chemical Taxonomy |
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| Kingdom | organic compounds |
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| Superclass | benzenoids |
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| Class | benzene and substituted derivatives |
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| Subclass | benzoic acids and derivatives |
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| Direct Parent | benzoic acids |
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| Geometric Descriptor | aromatic homomonocyclic compounds |
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| Alternative Parents | benzenesulfonyl compoundsbenzoyl derivativescarbonyl compoundscarboxylic acidshydrocarbon derivativesmonocarboxylic acids and derivativesorganic carbonic acids and derivativesorganic oxidesorganonitrogen compoundsorganopnictogen compoundssulfonesthiolactones |
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| Substituents | carbonyl groupcarbonic acid derivativecarboxylic acidbenzoylorganosulfur compoundcarboxylic acid derivativearomatic homomonocyclic compoundorganic oxidemonocarboxylic acid or derivativessulfonylorganic oxygen compoundorganonitrogen compoundorganopnictogen compoundhydrocarbon derivativeorganic nitrogen compoundbenzoic acidthiolactoneorganooxygen compoundsulfonebenzenesulfonyl group |
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