| Record Information |
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| HMDB Status | Not Available |
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| Creation Date | 2024-02-21 14:43:52 UTC |
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| Update Date | 2025-03-25 00:47:51 UTC |
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| HMDB ID | Not Available |
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| Metabolite Identification |
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| DeepMet ID | DMID02164406 |
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| Frequency | 0.5 |
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| Structure | |
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| Chemical Formula | C12H14Cl2N2O3 |
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| Molecular Mass | 304.0381 |
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| SMILES | CC(NC(=O)C(N)Cc1ccc(Cl)c(Cl)c1)C(=O)O |
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| InChI Key | NZIBXRDCKIAWEN-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 | dipeptides |
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| Geometric Descriptor | aromatic homomonocyclic compounds |
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| Alternative Parents | alanine and derivativesalpha amino acid amidesalpha amino acidsamphetamines and derivativesaryl chloridescarbonyl compoundscarboxylic acidsdichlorobenzenesfatty amideshydrocarbon derivativesmonoalkylaminesmonocarboxylic acids and derivativesn-acyl-alpha amino acidsorganic oxidesorganochloridesorganonitrogen compoundsorganopnictogen compoundsphenylalanine and derivativessecondary carboxylic acid amides |
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| Substituents | fatty acylmonocyclic benzene moietycarbonyl groupcarboxylic acidorganochloridefatty amidealpha-amino acid or derivativesorganohalogen compoundorganic oxideorganonitrogen compoundalpha-amino acidorganopnictogen compound1,2-dichlorobenzeneamphetamine or derivativesn-acyl-alpha amino acid or derivativesaryl chloridechlorobenzenealpha-amino acid amiden-acyl-alpha-amino acidcarboxamide grouparyl halidearomatic homomonocyclic compoundalpha-dipeptidesecondary carboxylic acid amidemonocarboxylic acid or derivativesphenylalanine or derivativesorganic oxygen compoundalanine or derivativeshydrocarbon derivativebenzenoidprimary aliphatic amineorganic nitrogen compoundhalobenzeneorganooxygen compound |
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