| Record Information |
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| HMDB Status | Not Available |
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| Creation Date | 2024-02-20 23:59:12 UTC |
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| Update Date | 2025-03-21 18:05:59 UTC |
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| HMDB ID | Not Available |
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| Metabolite Identification |
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| DeepMet ID | DMID00060284 |
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| Frequency | 52.0 |
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| Structure | |
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| Chemical Formula | C16H18ClNO3 |
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| Molecular Mass | 307.0975 |
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| SMILES | CCOC(=O)N1CCC(=C2OCc3cc(Cl)ccc32)CC1 |
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| InChI Key | GGACLZHHKKAERE-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 | piperidinecarboxylic acids and derivatives |
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| Direct Parent | piperidinecarboxylic acids |
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| Geometric Descriptor | aromatic heteropolycyclic compounds |
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| Alternative Parents | aryl chloridesazacyclic compoundsbenzenoidscarbamate esterscarbonyl compoundshydrocarbon derivativesisocoumaransorganic carbonic acids and derivativesorganic oxidesorganochloridesorganonitrogen compoundsorganopnictogen compoundsoxacyclic compoundspiperidines |
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| Substituents | aryl chloridecarbonyl groupcarbonic acid derivativeazacycleorganochloridecarbamic acid esterorganohalogen compoundaryl halideoxacycleorganic oxideisocoumaranorganic oxygen compoundaromatic heteropolycyclic compoundorganonitrogen compoundorganopnictogen compoundhydrocarbon derivativepiperidinecarboxylic acidbenzenoidorganic nitrogen compoundorganooxygen compound |
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