| 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 00:51:06 UTC |
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| HMDB ID | Not Available |
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| Metabolite Identification |
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| DeepMet ID | DMID02184729 |
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| Frequency | 0.5 |
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| Structure | |
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| Chemical Formula | C16H28ClN5 |
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| Molecular Mass | 325.2033 |
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| SMILES | N=C(NCCCCCCNCCCN)Nc1ccc(Cl)cc1 |
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| InChI Key | VDGGMSMBMGFELS-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 chloridescarboximidamidesdialkylaminesguanidineshydrocarbon derivativesiminesmonoalkylaminesorganochloridesorganopnictogen compounds |
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| Substituents | aryl chloridechlorobenzenesecondary aliphatic amineguanidineimineorganochloridecarboximidamidesecondary amineorganohalogen compoundaryl halidearomatic homomonocyclic compoundorganonitrogen compoundorganopnictogen compoundhydrocarbon derivativeprimary aliphatic amineorganic nitrogen compoundamine |
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