| Record Information |
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| HMDB Status | Not Available |
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| Creation Date | 2024-02-21 15:09:40 UTC |
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| Update Date | 2025-03-25 00:57:16 UTC |
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| HMDB ID | Not Available |
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| Metabolite Identification |
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| DeepMet ID | DMID02223701 |
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| Frequency | 0.5 |
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| Structure | |
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| Chemical Formula | C24H34ClN11O2 |
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| Molecular Mass | 543.2585 |
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| SMILES | N=C(NCCCCCNC(=N)NC(=N)Nc1ccc(CC(N)C(=O)O)cc1)NC(=N)Nc1ccc(Cl)cc1 |
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| InChI Key | MHSUVJKQWPWCBI-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 | phenylalanine and derivatives |
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| Geometric Descriptor | aromatic homomonocyclic compounds |
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| Alternative Parents | 1-arylbiguanidesalpha amino acidsamphetamines and derivativesaryl chloridescarbonyl compoundscarboximidamidescarboxylic acidschlorobenzeneshydrocarbon derivativesiminesmonoalkylaminesmonocarboxylic acids and derivativesorganic oxidesorganochloridesorganopnictogen compoundsphenylpropanoic acids |
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| Substituents | monocyclic benzene moietycarbonyl groupcarboxylic acid3-phenylpropanoic-acidguanidineimineorganochlorideorganohalogen compoundorganic oxideorganonitrogen compoundalpha-amino acidorganopnictogen compound1-arylbiguanideamphetamine or derivativesaryl chloridechlorobenzenecarboximidamidearyl halidearomatic homomonocyclic compoundarylbiguanidemonocarboxylic acid or derivativesphenylalanine or derivativesorganic oxygen compoundhydrocarbon derivativebenzenoidprimary aliphatic amineorganic nitrogen compoundbiguanidehalobenzeneorganooxygen compound |
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