| Record Information |
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| HMDB Status | Not Available |
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| Creation Date | 2024-02-21 00:05:53 UTC |
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| Update Date | 2025-03-21 18:29:13 UTC |
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| HMDB ID | Not Available |
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| Metabolite Identification |
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| DeepMet ID | DMID00076282 |
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| Frequency | 38.6 |
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| Structure | |
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| Chemical Formula | C13H16ClN5O3 |
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| Molecular Mass | 325.0942 |
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| SMILES | N=C(NCCCC(=O)C(=O)O)NC(=N)Nc1ccc(Cl)cc1 |
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| InChI Key | XHGOBAGBQNIBGT-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-hydroxy ketonesalpha-keto acids and derivativesaryl chloridescarboximidamidescarboxylic acidschlorobenzeneshydrocarbon derivativesiminesmonocarboxylic acids and derivativesorganic oxidesorganochloridesorganopnictogen compounds |
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| Substituents | monocyclic benzene moietycarbonyl groupcarboxylic acidimineorganochloridealpha-hydroxy ketonecarboxylic acid derivativeorganohalogen compoundketoneorganic oxidealpha-keto acidorganopnictogen compound1-arylbiguanidearyl chloridechlorobenzenecarboximidamidearyl halidearomatic homomonocyclic compoundmonocarboxylic acid or derivativesorganic oxygen compoundketo acidhydrocarbon derivativebenzenoidhalobenzeneorganooxygen compound |
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