| Record Information |
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| HMDB Status | Not Available |
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| Creation Date | 2024-02-21 14:49:03 UTC |
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| Update Date | 2025-03-25 00:49:45 UTC |
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| HMDB ID | Not Available |
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| Metabolite Identification |
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| DeepMet ID | DMID02176345 |
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| Frequency | 0.5 |
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| Structure | |
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| Chemical Formula | C12H18ClN3S |
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| Molecular Mass | 271.091 |
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| SMILES | NCCCCCNC(=S)Nc1ccc(Cl)cc1 |
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| InChI Key | RJHFFWZOVLHFQR-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 | aryl chlorideschlorobenzeneshydrocarbon derivativesmonoalkylaminesorganochloridesorganonitrogen compoundsorganopnictogen compoundsthioureas |
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| Substituents | aryl chloridechlorobenzenethiourean-phenylthioureaorganochlorideorganosulfur compoundorganohalogen compoundaryl halidearomatic homomonocyclic compoundorganonitrogen compoundorganopnictogen compoundhydrocarbon derivativeprimary aliphatic amineorganic nitrogen compoundhalobenzene |
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