| Record Information |
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| HMDB Status | Not Available |
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| Creation Date | 2024-02-21 00:04:04 UTC |
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| Update Date | 2025-03-21 18:28:27 UTC |
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| HMDB ID | Not Available |
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| Metabolite Identification |
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| DeepMet ID | DMID00071901 |
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| Frequency | 41.6 |
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| Structure | |
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| Chemical Formula | C14H20ClN5O2 |
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| Molecular Mass | 325.1306 |
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| SMILES | N=C(NCCCCCC(=O)O)NC(=N)Nc1ccc(Cl)cc1 |
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| InChI Key | ROBMWXDRXMFODV-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 | aryl chloridescarbocyclic fatty acidscarbonyl compoundscarboximidamidescarboxylic acidschlorobenzeneshalogenated fatty acidshydrocarbon derivativesiminesmedium-chain fatty acidsmonocarboxylic acids and derivativesorganic oxidesorganochloridesorganopnictogen compounds |
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| Substituents | fatty acylcarbocyclic fatty acidmonocyclic benzene moietycarbonyl groupcarboxylic acidimineorganochloridefatty acidcarboxylic acid derivativeorganohalogen compoundorganic oxideorganopnictogen compoundmedium-chain fatty acid1-arylbiguanidearyl chloridechlorobenzenehalogenated fatty acidcarboximidamidearyl halidearomatic homomonocyclic compoundmonocarboxylic acid or derivativesorganic oxygen compoundhydrocarbon derivativebenzenoidhalobenzeneorganooxygen compound |
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