| Record Information |
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| HMDB Status | Not Available |
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| Creation Date | 2024-02-21 00:22:02 UTC |
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| Update Date | 2025-03-21 18:37:22 UTC |
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| HMDB ID | Not Available |
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| Metabolite Identification |
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| DeepMet ID | DMID00115290 |
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| Frequency | 22.9 |
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| Structure | |
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| Chemical Formula | C21H25ClN2O3 |
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| Molecular Mass | 388.1554 |
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| SMILES | NC(=O)C(O)(CCN1CCC(O)(c2ccc(Cl)cc2)CC1)c1ccccc1 |
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| InChI Key | PBYNSFYSCKINKH-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 | 1,3-aminoalcoholsamino acids and derivativesaromatic alcoholsaryl chloridesazacyclic compoundscarbonyl compoundscarboxylic acids and derivativeschlorobenzenesfatty amideshydrocarbon derivativesorganic oxidesorganochloridesorganopnictogen compoundsphenylacetamidesprimary carboxylic acid amidestertiary alcoholstrialkylamines |
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| Substituents | aromatic alcoholprimary carboxylic acid amidefatty acylmonocyclic benzene moietycarbonyl grouparomatic heteromonocyclic compoundamino acid or derivativesorganochloridefatty amidecarboxylic acid derivativeorganohalogen compoundorganic oxideorganonitrogen compoundorganopnictogen compoundphenylacetamidetertiary aminearyl chloridechlorobenzenealcohol1,3-aminoalcoholazacycletertiary aliphatic aminecarboxamide grouparyl halidetertiary alcoholorganic oxygen compoundphenylpiperidinehydrocarbon derivativebenzenoidorganic nitrogen compoundhalobenzeneamineorganooxygen compound |
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