| Record Information |
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| HMDB Status | Not Available |
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| Creation Date | 2024-02-21 14:50:29 UTC |
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| Update Date | 2025-03-25 00:50:14 UTC |
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| HMDB ID | Not Available |
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| Metabolite Identification |
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| DeepMet ID | DMID02179625 |
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| Frequency | 0.5 |
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| Structure | |
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| Chemical Formula | C18H22N2O4S |
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| Molecular Mass | 362.13 |
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| SMILES | COc1ccc(NC(=O)CNS(=O)(=O)c2ccc(C(C)C)cc2)cc1 |
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| InChI Key | PRKPWIHISMVGNY-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 | alpha amino acid amides |
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| Geometric Descriptor | aromatic homomonocyclic compounds |
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| Alternative Parents | alkyl aryl ethersalpha amino acidsaminosulfonyl compoundsanilidesanisolesbenzenesulfonamidesbenzenesulfonyl compoundscarbonyl compoundscarboxylic acids and derivativescumeneshydrocarbon derivativesmethoxybenzenesn-arylamidesorganic oxidesorganopnictogen compoundsorganosulfonamidesphenoxy compoundsphenylpropanessecondary carboxylic acid amides |
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| Substituents | phenol etherorganosulfonic acid or derivativesmonocyclic benzene moietycarbonyl groupethern-arylamidealkyl aryl etherorganosulfur compoundorganosulfonic acid amidephenylpropaneorganic oxideorganonitrogen compoundalpha-amino acidorganopnictogen compoundcumenebenzenesulfonyl groupbenzenesulfonamidealpha-amino acid amideaminosulfonyl compoundcarboxamide groupmethoxybenzenearomatic homomonocyclic compoundanilidesecondary carboxylic acid amidesulfonylorganic oxygen compoundorganic sulfonic acid or derivativesanisolehydrocarbon derivativebenzenoidorganic nitrogen compoundphenoxy compoundorganooxygen compound |
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