| Record Information |
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| HMDB Status | Not Available |
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| Creation Date | 2024-02-21 14:54:12 UTC |
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| Update Date | 2025-03-25 00:51:36 UTC |
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| HMDB ID | Not Available |
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| Metabolite Identification |
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| DeepMet ID | DMID02188102 |
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| Frequency | 0.5 |
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| Structure | |
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| Chemical Formula | C12H17NO3S |
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| Molecular Mass | 255.0929 |
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| SMILES | CC(=O)NCCCS(=O)(=O)c1ccccc1C |
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| InChI Key | ZUOUEBSKWQNGLW-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 | benzenesulfonyl compounds |
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| Direct Parent | benzenesulfonyl compounds |
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| Geometric Descriptor | aromatic homomonocyclic compounds |
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| Alternative Parents | acetamidescarbonyl compoundscarboxylic acids and derivativeshydrocarbon derivativesorganic oxidesorganonitrogen compoundsorganopnictogen compoundssecondary carboxylic acid amidessulfonestoluenes |
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| Substituents | carbonyl grouporganosulfur compoundcarboxamide groupcarboxylic acid derivativearomatic homomonocyclic compoundsecondary carboxylic acid amideorganic oxidesulfonylorganic oxygen compoundorganonitrogen compoundorganopnictogen compoundhydrocarbon derivativeorganic nitrogen compoundtolueneacetamideorganooxygen compoundsulfonebenzenesulfonyl group |
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