| Record Information |
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| HMDB Status | Not Available |
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| Creation Date | 2024-02-21 15:05:12 UTC |
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| Update Date | 2025-03-25 00:55:38 UTC |
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| HMDB ID | Not Available |
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| Metabolite Identification |
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| DeepMet ID | DMID02213415 |
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| Frequency | 0.5 |
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| Structure | |
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| Chemical Formula | C12H18N2O6S |
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| Molecular Mass | 318.0886 |
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| SMILES | CN(CC(O)COc1ccc(CC(N)=O)cc1)S(=O)(=O)O |
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| InChI Key | AQDSMRUHZDUZRT-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 | phenylacetamides |
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| Direct Parent | phenylacetamides |
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| Geometric Descriptor | aromatic homomonocyclic compounds |
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| Alternative Parents | alkyl aryl etherscarbonyl compoundscarboxylic acids and derivativeshydrocarbon derivativesorganic oxidesorganonitrogen compoundsorganopnictogen compoundsphenol ethersphenoxy compoundsprimary carboxylic acid amidessecondary alcoholssulfuric acid monoamides |
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| Substituents | primary carboxylic acid amidealcoholphenol ethercarbonyl groupetherorganic sulfuric acid or derivativesalkyl aryl ethercarboxamide groupcarboxylic acid derivativearomatic homomonocyclic compoundorganic oxideorganic oxygen compoundorganonitrogen compoundsulfuric acid monoamidesecondary alcoholorganopnictogen compoundhydrocarbon derivativeorganic nitrogen compoundphenoxy compoundphenylacetamideorganooxygen compound |
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