| Record Information |
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| HMDB Status | Not Available |
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| Creation Date | 2024-02-21 14:38:43 UTC |
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| Update Date | 2025-03-25 00:46:02 UTC |
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| HMDB ID | Not Available |
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| Metabolite Identification |
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| DeepMet ID | DMID02152801 |
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| Frequency | 0.5 |
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| Structure | |
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| Chemical Formula | C21H26ClN7 |
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| Molecular Mass | 411.1938 |
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| SMILES | N=C(NCCCCNCc1c[nH]c2ccccc12)NC(=N)Nc1ccc(Cl)cc1 |
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| InChI Key | IFDDHAKERANWIG-UHFFFAOYSA-N |
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| Chemical Taxonomy |
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| Kingdom | organic compounds |
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| Superclass | organic nitrogen compounds |
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| Class | organonitrogen compounds |
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| Subclass | guanidines |
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| Direct Parent | 1-arylbiguanides |
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| Geometric Descriptor | aromatic heteropolycyclic compounds |
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| Alternative Parents | aryl chloridesazacyclic compoundscarboximidamideschlorobenzenesdialkylaminesheteroaromatic compoundshydrocarbon derivativesiminesindolesorganochloridesorganopnictogen compoundspyrroles |
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| Substituents | monocyclic benzene moietyindoleimineorganochlorideorganohalogen compoundaromatic heteropolycyclic compoundorganopnictogen compound1-arylbiguanideorganoheterocyclic compoundaryl chloridechlorobenzenesecondary aliphatic amineazacycleheteroaromatic compoundindole or derivativescarboximidamidesecondary aminearyl halidepyrrolehydrocarbon derivativebenzenoidhalobenzeneamine |
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