| Record Information |
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| HMDB Status | Not Available |
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| Creation Date | 2024-02-20 23:58:44 UTC |
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| Update Date | 2025-03-21 18:05:49 UTC |
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| HMDB ID | Not Available |
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| Metabolite Identification |
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| DeepMet ID | DMID00059154 |
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| Frequency | 53.2 |
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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 | CCOC(=O)C1CCC[N+]1(C)C |
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| InChI Key | DYEAYLYVJSBXII-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 compoundscarboxylic acid estershydrocarbon derivativesmonocarboxylic acids and derivativesn-alkylpyrrolidinesorganic cationsorganic oxidesorganic saltsorganopnictogen compoundsproline and derivativespyrrolidine carboxylic acidstetraalkylammonium salts |
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| Substituents | carbonyl grouporganic oxidepyrrolidine carboxylic acidaliphatic heteromonocyclic compoundorganonitrogen compoundalpha-amino acidorganopnictogen compoundorganic cationorganic saltpyrrolidineorganoheterocyclic compoundproline or derivativestetraalkylammonium saltalpha-amino acid esterazacyclen-alkylpyrrolidinequaternary ammonium saltmonocarboxylic acid or derivativespyrrolidine carboxylic acid or derivativesorganic oxygen compoundcarboxylic acid esterhydrocarbon derivativeorganic nitrogen compoundamineorganooxygen compound |
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