| Record Information |
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| HMDB Status | Not Available |
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| Creation Date | 2024-02-21 15:17:40 UTC |
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| Update Date | 2025-03-25 01:00:13 UTC |
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| HMDB ID | Not Available |
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| Metabolite Identification |
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| DeepMet ID | DMID02241650 |
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| Frequency | 0.5 |
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| Structure | |
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| Chemical Formula | C14H18ClN3O2 |
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| Molecular Mass | 295.1088 |
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| SMILES | CC(N)C(=O)N1CCCC1C(=O)Nc1ccc(Cl)cc1 |
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| InChI Key | PRPXDOXZJFZWEH-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 heteromonocyclic compounds |
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| Alternative Parents | alpha amino acid amidesalpha amino acidsanilidesaryl chloridesazacyclic compoundscarbonyl compoundscarboxylic acids and derivativeschlorobenzeneshydrocarbon derivativesmonoalkylaminesn-acylpyrrolidinesn-arylamidesorganic oxidesorganochloridesorganopnictogen compoundsproline and derivativespyrrolidinecarboxamidessecondary carboxylic acid amidestertiary carboxylic acid amides |
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| Substituents | monocyclic benzene moietycarbonyl grouparomatic heteromonocyclic compoundorganochloriden-acylpyrrolidinen-arylamidealpha-amino acid or derivativesorganohalogen compoundorganic oxidetertiary carboxylic acid amideorganonitrogen compoundalpha-amino acidorganopnictogen compoundpyrrolidineorganoheterocyclic compoundaryl chloridechlorobenzeneproline or derivativesalpha-amino acid amideazacyclecarboxamide grouparyl halidealpha-dipeptideanilidesecondary carboxylic acid amidepyrrolidine carboxylic acid or derivativesorganic oxygen compoundhydrocarbon derivativebenzenoidprimary aliphatic amineorganic nitrogen compoundhalobenzenepyrrolidine-2-carboxamideorganooxygen compound |
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