| Record Information |
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| HMDB Status | Not Available |
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| Creation Date | 2024-02-21 14:58:58 UTC |
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| Update Date | 2025-03-25 00:53:17 UTC |
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| HMDB ID | Not Available |
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| Metabolite Identification |
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| DeepMet ID | DMID02198866 |
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| Frequency | 0.5 |
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| Structure | |
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| Chemical Formula | C12H16N2O2S |
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| Molecular Mass | 252.0932 |
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| SMILES | CCN(CC(=O)O)C(S)=Nc1ccc(C)cc1 |
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| InChI Key | XLIZOEGJMXBCBV-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 | n-phenylthioureas |
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| Direct Parent | n-phenylthioureas |
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| Geometric Descriptor | aromatic homomonocyclic compounds |
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| Alternative Parents | alpha amino acidscarbonyl compoundscarboxylic acidshydrocarbon derivativesmonocarboxylic acids and derivativesorganic oxidesorganonitrogen compoundsorganopnictogen compoundsthioureastoluenes |
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| Substituents | carbonyl groupthioureacarboxylic acidn-phenylthioureaalpha-amino acid or derivativesorganosulfur compoundcarboxylic acid derivativearomatic homomonocyclic compoundorganic oxidemonocarboxylic acid or derivativesorganic oxygen compoundorganonitrogen compoundalpha-amino acidorganopnictogen compoundhydrocarbon derivativeorganic nitrogen compoundtolueneorganooxygen compound |
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