| Record Information |
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| HMDB Status | Not Available |
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| Creation Date | 2024-02-21 14:59:35 UTC |
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| Update Date | 2025-03-25 00:53:32 UTC |
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| HMDB ID | Not Available |
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| Metabolite Identification |
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| DeepMet ID | DMID02200313 |
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| Frequency | 0.5 |
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| Structure | |
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| Chemical Formula | C14H18ClN5O2 |
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| Molecular Mass | 323.1149 |
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| SMILES | N=C(NC(=N)NC1CCCC1C(=O)O)Nc1ccc(Cl)cc1 |
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| InChI Key | MCYIUSJELDXIOW-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 chloridesbeta amino acids and derivativescarbonyl compoundscarboximidamidescarboxylic acidschlorobenzeneshydrocarbon derivativesiminesmonocarboxylic acids and derivativesorganic oxidesorganochloridesorganopnictogen compounds |
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| Substituents | monocyclic benzene moietycarbonyl groupcarboxylic acidimineorganochloridecarboxylic acid derivativeorganohalogen compoundorganic oxideorganopnictogen compound1-arylbiguanidearyl chloridechlorobenzenecarboximidamidebeta amino acid or derivativesaryl halidearomatic homomonocyclic compoundmonocarboxylic acid or derivativesorganic oxygen compoundhydrocarbon derivativebenzenoidhalobenzeneorganooxygen compound |
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