| Record Information |
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| HMDB Status | Not Available |
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| Creation Date | 2024-02-21 14:52:25 UTC |
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| Update Date | 2025-03-25 00:50:58 UTC |
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| HMDB ID | Not Available |
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| Metabolite Identification |
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| DeepMet ID | DMID02183973 |
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| Frequency | 0.5 |
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| Structure | |
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| Chemical Formula | C14H20ClN3O2S |
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| Molecular Mass | 329.0965 |
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| SMILES | NC(CCCCCNC(=S)Nc1ccc(Cl)cc1)C(=O)O |
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| InChI Key | ZNYPNQZVIYLOQM-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 acidsaryl chloridescarbocyclic fatty acidscarbonyl compoundscarboxylic acidschlorobenzeneshalogenated fatty acidshydrocarbon derivativesmedium-chain fatty acidsmonoalkylaminesmonocarboxylic acids and derivativesorganic oxidesorganochloridesorganonitrogen compoundsorganopnictogen compoundsthioureas |
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| Substituents | fatty acylcarbocyclic fatty acidcarbonyl groupthioureacarboxylic acidn-phenylthioureaorganochloridefatty acidalpha-amino acid or derivativesorganosulfur compoundcarboxylic acid derivativeorganohalogen compoundorganic oxideorganonitrogen compoundalpha-amino acidorganopnictogen compoundmedium-chain fatty acidaryl chloridechlorobenzenehalogenated fatty acidaryl halidearomatic homomonocyclic compoundmonocarboxylic acid or derivativesorganic oxygen compoundhydrocarbon derivativeprimary aliphatic amineorganic nitrogen compoundhalobenzeneorganooxygen compound |
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