| Record Information |
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| HMDB Status | Not Available |
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| Creation Date | 2024-02-21 14:50:50 UTC |
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| Update Date | 2025-03-25 00:50:21 UTC |
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| HMDB ID | Not Available |
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| Metabolite Identification |
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| DeepMet ID | DMID02180415 |
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| Frequency | 0.5 |
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| Structure | |
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| Chemical Formula | C12H17N2O2+ |
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| Molecular Mass | 221.1285 |
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| SMILES | C[N+]1(C)CC(c2cccnc2)CC1C(=O)O |
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| InChI Key | GHVLVIOJPJJHNO-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 | alpha amino acidsaminesazacyclic compoundscarbonyl compoundscarboxylic acidsheteroaromatic compoundshydrocarbon derivativeshydroxypyridinesmethylpyridinesmonocarboxylic acids and derivativesn-alkylpyrrolidinesorganic cationsorganic oxidesorganic saltsorganopnictogen compoundspyrrolidine carboxylic acidspyrrolidinylpyridinestetraalkylammonium salts |
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| Substituents | carbonyl groupcarboxylic acidaromatic heteromonocyclic compoundpyrrolidinylpyridineorganic oxidepyrrolidine carboxylic acidalpha-amino acidorganonitrogen compoundorganopnictogen compoundorganic 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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