| Record Information |
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| HMDB Status | Not Available |
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| Creation Date | 2024-02-21 15:03:37 UTC |
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| Update Date | 2025-03-25 00:54:56 UTC |
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| HMDB ID | Not Available |
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| Metabolite Identification |
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| DeepMet ID | DMID02209584 |
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| Frequency | 0.5 |
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| Structure | |
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| Chemical Formula | C10H11ClN2O2S |
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| Molecular Mass | 258.023 |
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| SMILES | CC(NC(=S)Nc1ccc(Cl)cc1)C(=O)O |
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| InChI Key | KHSDYVZNXQXYCL-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 | alanine and derivatives |
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| Geometric Descriptor | aromatic homomonocyclic compounds |
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| Alternative Parents | alpha amino acidsaryl chloridescarbonyl compoundscarboxylic acidschlorobenzeneshydrocarbon derivativesmonocarboxylic acids and derivativesn-phenylthioureasorganic oxidesorganochloridesorganonitrogen compoundsorganopnictogen compoundsthioureas |
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| Substituents | monocyclic benzene moietycarbonyl groupthioureacarboxylic acidn-phenylthioureaorganochlorideorganosulfur compoundorganohalogen compoundorganic oxideorganonitrogen compoundalpha-amino acidorganopnictogen compoundaryl chloridechlorobenzenearyl halidearomatic homomonocyclic compoundmonocarboxylic acid or derivativesorganic oxygen compoundalanine or derivativeshydrocarbon derivativebenzenoidorganic nitrogen compoundhalobenzeneorganooxygen compound |
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