| Record Information |
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| HMDB Status | Not Available |
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| Creation Date | 2024-02-21 14:47:07 UTC |
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| Update Date | 2025-03-25 00:49:05 UTC |
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| HMDB ID | Not Available |
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| Metabolite Identification |
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| DeepMet ID | DMID02171872 |
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| Frequency | 0.5 |
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| Structure | |
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| Chemical Formula | C19H29ClN8O4 |
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| Molecular Mass | 468.2 |
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| SMILES | CNC(=NC(CC(=O)O)C(=O)O)NCCCCCNC(=N)NC(=N)Nc1ccc(Cl)cc1 |
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| InChI Key | HVVXYRKTKKOWOK-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 | aspartic acid and derivatives |
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| Geometric Descriptor | aromatic homomonocyclic compounds |
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| Alternative Parents | 1-arylbiguanidesalpha amino acidsaryl chloridescarbonyl compoundscarboximidamidescarboxylic acidschlorobenzenesdicarboxylic acids and derivativeshydrocarbon derivativesiminesorganic oxidesorganochloridesorganopnictogen compoundspropargyl-type 1,3-dipolar organic compounds |
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| Substituents | monocyclic benzene moietycarbonyl groupcarboxylic acidguanidineimineorganochlorideorganohalogen compoundpropargyl-type 1,3-dipolar organic compoundorganic oxideorganonitrogen compoundalpha-amino acidorganopnictogen compound1-arylbiguanidearyl chloridechlorobenzeneorganic 1,3-dipolar compoundcarboximidamidearyl halidearomatic homomonocyclic compoundarylbiguanideorganic oxygen compoundaspartic acid or derivativesdicarboxylic acid or derivativeshydrocarbon derivativebenzenoidorganic nitrogen compoundbiguanidehalobenzeneorganooxygen compound |
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