Record Information |
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HMDB Status | Not Available |
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Creation Date | 2024-02-21 14:53:17 UTC |
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Update Date | 2025-03-25 00:51:17 UTC |
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HMDB ID | Not Available |
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Metabolite Identification |
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DeepMet ID | DMID02185971 |
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Frequency | 0.5 |
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Structure | |
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Chemical Formula | C10H13NO5S |
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Molecular Mass | 259.0514 |
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SMILES | O=C(CO)Nc1ccccc1S(=O)(=O)CCO |
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InChI Key | ZMKMBJOHWPBULL-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 | anilides |
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Direct Parent | anilides |
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Geometric Descriptor | aromatic homomonocyclic compounds |
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Alternative Parents | alcohols and polyolsbenzenesulfonyl compoundscarbonyl compoundscarboxylic acids and derivativeshydrocarbon derivativesn-arylamidesorganic oxidesorganopnictogen compoundssecondary carboxylic acid amidessulfones |
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Substituents | alcoholcarbonyl groupn-arylamideorganosulfur compoundcarboxamide groupcarboxylic acid derivativearomatic homomonocyclic compoundanilidesecondary carboxylic acid amideorganic oxidesulfonylorganic oxygen compoundorganonitrogen compoundorganopnictogen compoundhydrocarbon derivativeorganic nitrogen compoundorganooxygen compoundsulfonebenzenesulfonyl group |
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