| Record Information |
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| HMDB Status | Not Available |
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| Creation Date | 2024-02-21 15:07:07 UTC |
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| Update Date | 2025-03-25 00:56:20 UTC |
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| HMDB ID | Not Available |
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| Metabolite Identification |
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| DeepMet ID | DMID02217787 |
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| Frequency | 0.5 |
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| Structure | |
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| Chemical Formula | C14H21N2O3+ |
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| Molecular Mass | 265.1547 |
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| SMILES | Cc1ncc(C[N+]2(C)CCCC2C(=O)O)c(C)c1O |
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| InChI Key | FLLRDWBDGBVBTD-UHFFFAOYSA-O |
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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 | proline and derivatives |
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| Geometric Descriptor | aromatic heteromonocyclic compounds |
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| Alternative Parents | 2-halopyridinesalpha amino acidsaralkylaminesazacyclic compoundscarbonyl compoundscarboxylic acidsheteroaromatic compoundshydrocarbon derivativeshydroxypyridinesmethylpyridinesmonocarboxylic acids and derivativesn-alkylpyrrolidinesorganic cationsorganic oxidesorganic saltsorganopnictogen compoundspolyhalopyridinespyrrolidine carboxylic acidstetraalkylammonium salts |
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| Substituents | carbonyl groupcarboxylic acidaromatic heteromonocyclic compoundpolyhalopyridinearalkylamineorganic oxidepyrrolidine carboxylic acidalpha-amino acidorganonitrogen compoundorganopnictogen compound2-halopyridineorganic cationorganic saltpyrrolidineorganoheterocyclic compoundproline or derivativestetraalkylammonium saltazacyclen-alkylpyrrolidinequaternary ammonium saltheteroaromatic compoundhydroxypyridinemethylpyridinemonocarboxylic acid or derivativespyrrolidine carboxylic acid or derivativespyridineorganic oxygen compoundhydrocarbon derivativeorganic nitrogen compoundamineorganooxygen compound |
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