| Record Information |
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| HMDB Status | Not Available |
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| Creation Date | 2024-02-20 23:53:13 UTC |
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| Update Date | 2025-03-21 18:03:45 UTC |
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| HMDB ID | Not Available |
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| Metabolite Identification |
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| DeepMet ID | DMID00046263 |
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| Frequency | 72.5 |
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| Structure | |
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| Chemical Formula | C10H13ClN2O |
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| Molecular Mass | 212.0716 |
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| SMILES | CCNCC(=O)Nc1ccc(Cl)cc1 |
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| InChI Key | KJGPYOCPQYCCNI-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 | alpha amino acid amides |
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| Geometric Descriptor | aromatic homomonocyclic compounds |
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| Alternative Parents | alpha amino acidsanilidesaryl chloridescarbonyl compoundscarboxylic acids and derivativeschlorobenzenesdialkylamineshydrocarbon derivativesn-arylamidesorganic oxidesorganochloridesorganopnictogen compoundssecondary carboxylic acid amides |
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| Substituents | monocyclic benzene moietycarbonyl grouporganochloriden-arylamideorganohalogen compoundorganic oxideorganonitrogen compoundalpha-amino acidorganopnictogen compoundaryl chloridechlorobenzenesecondary aliphatic aminealpha-amino acid amidesecondary aminecarboxamide grouparyl halidearomatic homomonocyclic compoundanilidesecondary carboxylic acid amideorganic oxygen compoundhydrocarbon derivativebenzenoidorganic nitrogen compoundhalobenzeneorganooxygen compoundamine |
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