| Record Information |
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| HMDB Status | Not Available |
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| Creation Date | 2024-02-21 14:43:09 UTC |
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| Update Date | 2025-03-25 00:47:35 UTC |
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| HMDB ID | Not Available |
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| Metabolite Identification |
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| DeepMet ID | DMID02162776 |
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| Frequency | 0.5 |
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| Structure | |
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| Chemical Formula | C17H22ClNO4 |
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| Molecular Mass | 339.1237 |
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| SMILES | O=C(N1CCC(O)(c2ccc(Cl)cc2)CC1)C1(O)CCOCC1 |
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| InChI Key | XJHQAZLWMGLMHZ-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 | aryl chloridesazacyclic compoundscarbonyl compoundscarboxylic acids and derivativeschlorobenzenesdialkyl ethershydrocarbon derivativesn-acylpiperidinesorganic oxidesorganochloridesorganonitrogen compoundsorganopnictogen compoundsoxacyclic compoundsoxanestertiary alcoholstertiary carboxylic acid amides |
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| Substituents | monocyclic benzene moietycarbonyl groupetheraromatic heteromonocyclic compoundorganochloridecarboxylic acid derivativeorganohalogen compounddialkyl etherorganic oxidetertiary carboxylic acid amideorganonitrogen compoundorganopnictogen compoundoxanearyl chloridechlorobenzenealcoholazacyclecarboxamide grouparyl halideoxacyclen-acyl-piperidinetertiary alcoholorganic oxygen compoundphenylpiperidinehydrocarbon derivativebenzenoidorganic nitrogen compoundhalobenzeneorganooxygen compound |
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