| Record Information |
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| HMDB Status | Not Available |
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| Creation Date | 2024-02-21 00:21:24 UTC |
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| Update Date | 2025-03-21 18:37:03 UTC |
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| HMDB ID | Not Available |
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| Metabolite Identification |
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| DeepMet ID | DMID00113736 |
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| Frequency | 23.3 |
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| Structure | |
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| Chemical Formula | C16H21ClN2O2 |
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| Molecular Mass | 308.1292 |
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| SMILES | O=C(C1CCCN1)N1CCC(O)(c2ccc(Cl)cc2)CC1 |
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| InChI Key | VRCQKVHHRAAMIQ-UHFFFAOYSA-N |
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| Chemical Taxonomy |
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| Kingdom | organic compounds |
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| Superclass | organoheterocyclic compounds |
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| Class | piperidines |
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| Subclass | phenylpiperidines |
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| Direct Parent | phenylpiperidines |
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| Geometric Descriptor | aromatic heteromonocyclic compounds |
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| Alternative Parents | alpha amino acid amidesalpha amino acidsaryl chloridesazacyclic compoundscarbonyl compoundscarboxylic acids and derivativeschlorobenzenesdialkylamineshydrocarbon derivativesn-acylpiperidinesorganic oxidesorganochloridesorganopnictogen compoundspyrrolidinecarboxamidestertiary alcoholstertiary carboxylic acid amides |
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| Substituents | monocyclic benzene moietycarbonyl grouparomatic heteromonocyclic compoundamino acid or derivativesorganochloridealpha-amino acid or derivativescarboxylic acid derivativeorganohalogen compoundorganic oxidetertiary carboxylic acid amideorganonitrogen compoundalpha-amino acidorganopnictogen compoundpyrrolidinearyl chloridechlorobenzenealcoholsecondary aliphatic aminealpha-amino acid amideazacyclesecondary aminecarboxamide grouparyl haliden-acyl-piperidinetertiary alcoholpyrrolidine carboxylic acid or derivativesorganic oxygen compoundphenylpiperidinehydrocarbon derivativebenzenoidorganic nitrogen compoundhalobenzenepyrrolidine-2-carboxamideorganooxygen compoundamine |
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