| Record Information |
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| HMDB Status | Not Available |
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| Creation Date | 2024-02-21 00:28:15 UTC |
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| Update Date | 2025-03-21 18:40:25 UTC |
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| HMDB ID | Not Available |
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| Metabolite Identification |
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| DeepMet ID | DMID00130045 |
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| Frequency | 19.5 |
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| Structure | |
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| Chemical Formula | C24H33ClN8O3 |
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| Molecular Mass | 516.2364 |
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| SMILES | N=C(NCCCCCCNC(=N)NC(Cc1ccc(O)cc1)C(=O)O)NC(=N)Nc1ccc(Cl)cc1 |
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| InChI Key | RCXLTVBZAAPEPI-UHFFFAOYSA-N |
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| Chemical Taxonomy |
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| Kingdom | organic compounds |
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| Superclass | organic acids and derivatives |
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| Class | carboxylic acids and derivatives |
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| Subclass | amino acids, peptides, and analogues |
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| Direct Parent | tyrosine and derivatives |
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| Geometric Descriptor | aromatic homomonocyclic compounds |
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| Alternative Parents | 1-arylbiguanides1-hydroxy-2-unsubstituted benzenoidsalpha amino acidsamphetamines and derivativesaryl chloridescarbonyl compoundscarboximidamidescarboxylic acidschlorobenzeneshydrocarbon derivativesiminesmonocarboxylic acids and derivativesorganic oxidesorganochloridesorganopnictogen compoundsphenylalanine and derivativesphenylpropanoic acids |
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| Substituents | monocyclic benzene moietycarbonyl groupcarboxylic acid3-phenylpropanoic-acidguanidineimineorganochloride1-hydroxy-2-unsubstituted benzenoidorganohalogen compoundorganic oxideorganonitrogen compoundalpha-amino acidorganopnictogen compound1-arylbiguanideamphetamine or derivativesaryl chloridechlorobenzenetyrosine or derivativescarboximidamidearyl halidearomatic homomonocyclic compoundarylbiguanidemonocarboxylic acid or derivativesphenylalanine or derivativesorganic oxygen compoundphenolhydrocarbon derivativebenzenoidorganic nitrogen compoundbiguanidehalobenzeneorganooxygen compound |
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