| Record Information |
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| HMDB Status | Not Available |
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| Creation Date | 2024-02-21 00:20:03 UTC |
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| Update Date | 2025-03-21 18:36:24 UTC |
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| HMDB ID | Not Available |
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| Metabolite Identification |
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| DeepMet ID | DMID00110486 |
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| Frequency | 24.1 |
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| Structure | |
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| Chemical Formula | C11H19N2O2+ |
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| Molecular Mass | 211.1441 |
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| SMILES | Cn1cccc1CC(C(=O)O)[N+](C)(C)C |
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| InChI Key | ASQBQOLIRMWEAF-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 | alpha amino acids |
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| Geometric Descriptor | aromatic heteromonocyclic compounds |
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| Alternative Parents | aminesazacyclic compoundscarbonyl compoundscarboxylic acidsheteroaromatic compoundshydrocarbon derivativesmonocarboxylic acids and derivativesn-methylpyrrolesorganic cationsorganic oxidesorganic saltsorganopnictogen compoundssubstituted pyrrolestetraalkylammonium salts |
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| Substituents | carbonyl groupn-methylpyrrolecarboxylic acidaromatic heteromonocyclic compoundsubstituted pyrroleorganic oxidealpha-amino acidorganonitrogen compoundorganopnictogen compoundorganic cationorganic saltorganoheterocyclic compoundtetraalkylammonium saltazacyclequaternary ammonium saltheteroaromatic compoundmonocarboxylic acid or derivativesorganic oxygen compoundpyrrolehydrocarbon derivativeorganic nitrogen compoundamineorganooxygen compound |
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