| Record Information |
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| HMDB Status | Not Available |
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| Creation Date | 2024-02-21 14:52:45 UTC |
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| Update Date | 2025-03-25 00:51:05 UTC |
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| HMDB ID | Not Available |
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| Metabolite Identification |
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| DeepMet ID | DMID02184726 |
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| Frequency | 0.5 |
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| Structure | |
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| Chemical Formula | C21H27Cl2N7S |
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| Molecular Mass | 479.1426 |
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| SMILES | N=C(NCCCCCCNC(=S)NC(=N)Nc1ccc(Cl)cc1)Nc1ccc(Cl)cc1 |
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| InChI Key | AJLSRQITZHDWEK-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 | halobenzenes |
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| Direct Parent | chlorobenzenes |
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| Geometric Descriptor | aromatic homomonocyclic compounds |
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| Alternative Parents | aryl chloridescarboximidamidesguanidineshydrocarbon derivativesiminesorganochloridesorganopnictogen compoundsthioureas |
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| Substituents | aryl chloridechlorobenzenethioureaguanidineimineorganochloridecarboximidamideorganosulfur compoundorganohalogen compoundaryl halidearomatic homomonocyclic compoundorganonitrogen compoundorganopnictogen compoundhydrocarbon derivativeorganic nitrogen compound |
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