| Record Information |
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| HMDB Status | Not Available |
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| Creation Date | 2024-02-21 15:16:46 UTC |
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| Update Date | 2025-03-25 00:59:50 UTC |
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| HMDB ID | Not Available |
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| Metabolite Identification |
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| DeepMet ID | DMID02239559 |
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| Frequency | 0.5 |
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| Structure | |
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| Chemical Formula | C18H28ClN7O2 |
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| Molecular Mass | 409.1993 |
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| SMILES | N=C(CCCCCCCNC(=N)NC(=N)Nc1ccc(Cl)cc1)NCC(=O)O |
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| InChI Key | HCYWALHIZZNBKZ-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 homomonocyclic compounds |
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| Alternative Parents | alpha amino acidsamidinesaryl chloridescarbonyl compoundscarboximidamidescarboxylic acidschlorobenzeneshydrocarbon derivativesiminesmonocarboxylic acids and derivativesorganic oxidesorganochloridesorganopnictogen compounds |
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| Substituents | monocyclic benzene moietycarbonyl groupcarboxylic acidimineorganochloridealpha-amino acid or derivativesamidinecarboxylic acid derivativeorganohalogen compoundorganic oxidealpha-amino acidorganopnictogen compound1-arylbiguanidearyl chloridechlorobenzenecarboximidamidearyl halidearomatic homomonocyclic compoundmonocarboxylic acid or derivativesorganic oxygen compoundhydrocarbon derivativebenzenoidhalobenzeneorganooxygen compound |
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