| Record Information |
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| HMDB Status | Not Available |
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| Creation Date | 2024-02-20 23:52:15 UTC |
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| Update Date | 2025-03-21 18:03:23 UTC |
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| HMDB ID | Not Available |
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| Metabolite Identification |
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| DeepMet ID | DMID00043933 |
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| Frequency | 77.2 |
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| Structure | |
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| Chemical Formula | C20H24ClNO2 |
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| Molecular Mass | 345.1496 |
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| SMILES | CC(C(O)c1ccccc1)N1CCC(O)(c2ccc(Cl)cc2)CC1 |
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| InChI Key | NPULXIIBAXUUGP-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 | 1,2-aminoalcoholsaromatic alcoholsaryl chloridesazacyclic compoundschlorobenzeneshydrocarbon derivativesorganochloridesorganopnictogen compoundsphenylpropanessecondary alcoholstertiary alcoholstrialkylamines |
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| Substituents | aromatic alcoholmonocyclic benzene moietyaromatic heteromonocyclic compoundorganochlorideorganohalogen compoundphenylpropaneorganonitrogen compoundorganopnictogen compoundtertiary aminearyl chloridechlorobenzenealcoholazacycle1,2-aminoalcoholtertiary aliphatic aminearyl halidetertiary alcoholorganic oxygen compoundphenylpiperidinesecondary alcoholhydrocarbon derivativebenzenoidorganic nitrogen compoundhalobenzeneamineorganooxygen compound |
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