| Record Information |
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| HMDB Status | Not Available |
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| Creation Date | 2024-02-21 15:23:02 UTC |
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| Update Date | 2025-03-25 01:02:08 UTC |
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| HMDB ID | Not Available |
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| Metabolite Identification |
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| DeepMet ID | DMID02253950 |
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| Frequency | 0.5 |
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| Structure | |
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| Chemical Formula | C14H19ClN4O3 |
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| Molecular Mass | 326.1146 |
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| SMILES | CC(C)CC(NC(=O)NC(=N)Nc1ccc(Cl)cc1)C(=O)O |
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| InChI Key | DCDATGFHNGFJMX-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 | leucine and derivatives |
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| Geometric Descriptor | aromatic homomonocyclic compounds |
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| Alternative Parents | alpha amino acidsaryl chloridescarbonyl compoundscarboximidamidescarboxylic acidschlorobenzenesguanidineshydrocarbon derivativesiminesmonocarboxylic acids and derivativesn-carbamoyl-alpha amino acidsorganic carbonic acids and derivativesorganic oxidesorganochloridesorganopnictogen compounds |
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| Substituents | monocyclic benzene moietycarbonyl groupcarboxylic acidguanidineimineorganochlorideorganohalogen compoundorganic oxiden-carbamoyl-alpha-amino acid or derivativesleucine or derivativesorganonitrogen compoundalpha-amino acidorganopnictogen compoundaryl chloridechlorobenzenecarbonic acid derivativen-carbamoyl-alpha-amino acidcarboximidamidearyl halidearomatic homomonocyclic compoundmonocarboxylic acid or derivativesorganic oxygen compoundhydrocarbon derivativebenzenoidorganic nitrogen compoundhalobenzeneorganooxygen compound |
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