| Record Information |
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| HMDB Status | Not Available |
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| Creation Date | 2024-02-21 15:09:55 UTC |
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| Update Date | 2025-03-25 00:57:22 UTC |
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| HMDB ID | Not Available |
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| Metabolite Identification |
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| DeepMet ID | DMID02224269 |
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| Frequency | 0.5 |
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| Structure | |
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| Chemical Formula | C15H19ClN2O2 |
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| Molecular Mass | 294.1135 |
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| SMILES | O=C(C1CCCN1)N1CCC(Oc2ccc(Cl)cc2)C1 |
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| InChI Key | JSNNYWHKRPTDAI-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 heteromonocyclic compounds |
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| Alternative Parents | alkyl aryl ethersalpha amino acidsaryl chloridesazacyclic compoundscarbonyl compoundscarboxylic acids and derivativeschlorobenzenesdialkylamineshydrocarbon derivativesn-acylpyrrolidinesorganic oxidesorganochloridesorganopnictogen compoundsphenol ethersphenoxy compoundspyrrolidinecarboxamidestertiary carboxylic acid amides |
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| Substituents | phenol ethermonocyclic benzene moietycarbonyl groupetheraromatic heteromonocyclic compoundorganochloriden-acylpyrrolidinealkyl aryl etherorganohalogen compoundorganic oxidetertiary carboxylic acid amideorganonitrogen compoundalpha-amino acidorganopnictogen compoundpyrrolidineorganoheterocyclic compoundaryl chloridechlorobenzenesecondary aliphatic aminealpha-amino acid amideazacyclesecondary aminecarboxamide grouparyl halidepyrrolidine carboxylic acid or derivativesorganic oxygen compoundhydrocarbon derivativebenzenoidorganic nitrogen compoundhalobenzenepyrrolidine-2-carboxamidephenoxy compoundorganooxygen compoundamine |
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