| Record Information |
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| HMDB Status | Not Available |
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| Creation Date | 2024-02-20 23:44:29 UTC |
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| Update Date | 2025-03-21 18:00:09 UTC |
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| HMDB ID | Not Available |
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| Metabolite Identification |
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| DeepMet ID | DMID00025458 |
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| Frequency | 151.6 |
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| Structure | |
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| Chemical Formula | C9H18NO2+ |
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| Molecular Mass | 172.1332 |
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| SMILES | COC(=O)C1CCCC[N+]1(C)C |
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| InChI Key | ZXVYQIQSXCQFIW-UHFFFAOYSA-N |
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| Chemical Taxonomy |
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| Kingdom | organic compounds |
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| Superclass | organic acids and derivatives |
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| Class | carboxylic acids and derivatives |
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| Subclass | amino acids, peptides, and analogues |
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| Direct Parent | alpha amino acid esters |
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| Geometric Descriptor | aliphatic heteromonocyclic compounds |
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| Alternative Parents | alpha amino acidsaminesazacyclic compoundscarbonyl compoundshydrocarbon derivativesmethyl estersmonocarboxylic acids and derivativesorganic cationsorganic oxidesorganic saltsorganopnictogen compoundspiperidinecarboxylic acidspiperidinestetraalkylammonium salts |
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| Substituents | carbonyl grouporganic oxidemethyl esteraliphatic heteromonocyclic compoundorganonitrogen compoundalpha-amino acidorganopnictogen compoundpiperidinecarboxylic acidorganic cationorganic saltpiperidineorganoheterocyclic compoundtetraalkylammonium saltalpha-amino acid esterazacyclequaternary ammonium saltmonocarboxylic acid or derivativesorganic oxygen compoundcarboxylic acid esterhydrocarbon derivativeorganic nitrogen compoundamineorganooxygen compound |
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