| Record Information |
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| HMDB Status | Not Available |
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| Creation Date | 2024-02-21 00:10:49 UTC |
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| Update Date | 2025-03-21 18:31:51 UTC |
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| HMDB ID | Not Available |
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| Metabolite Identification |
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| DeepMet ID | DMID00087991 |
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| Frequency | 32.3 |
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| Structure | |
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| Chemical Formula | C16H22ClNO5 |
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| Molecular Mass | 343.1186 |
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| SMILES | OCC1OC(N2CCC(O)(c3ccc(Cl)cc3)CC2)C(O)C1O |
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| InChI Key | XXEQKUJRXUZTCV-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 compoundschlorobenzeneshemiaminalshydrocarbon derivativesmonosaccharidesorganochloridesorganonitrogen compoundsorganopnictogen compoundsoxacyclic compoundsprimary alcoholssecondary alcoholstertiary alcoholstetrahydrofurans |
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| Substituents | monocyclic benzene moietyaromatic heteromonocyclic compoundorganochloridemonosaccharideorganohalogen compoundhemiaminalsaccharideorganonitrogen compoundorganopnictogen compoundprimary alcoholaryl chloridechlorobenzenealcoholazacycletetrahydrofuranaryl halideoxacycletertiary alcoholorganic oxygen compoundphenylpiperidinesecondary alcoholhydrocarbon derivativebenzenoidorganic nitrogen compoundhalobenzeneorganooxygen compound |
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