| Record Information |
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| HMDB Status | Not Available |
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| Creation Date | 2024-02-21 14:53:47 UTC |
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| Update Date | 2025-03-25 00:51:28 UTC |
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| HMDB ID | Not Available |
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| Metabolite Identification |
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| DeepMet ID | DMID02187170 |
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| Frequency | 0.5 |
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| Structure | |
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| Chemical Formula | C12H18NO3+ |
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| Molecular Mass | 224.1281 |
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| SMILES | CC(C(=O)Oc1ccc(O)cc1)[N+](C)(C)C |
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| InChI Key | CXFKQFRNTMVQSJ-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 acid esters |
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| Geometric Descriptor | aromatic homomonocyclic compounds |
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| Alternative Parents | 1-hydroxy-2-unsubstituted benzenoidsalanine and derivativesalpha amino acidsaminescarbonyl compoundscarboxylic acid estershydrocarbon derivativesmonocarboxylic acids and derivativesorganic cationsorganic oxidesorganic saltsorganopnictogen compoundsphenol estersphenoxy compoundstetraalkylammonium salts |
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| Substituents | monocyclic benzene moietycarbonyl group1-hydroxy-2-unsubstituted benzenoidorganic oxideorganonitrogen compoundalpha-amino acidorganopnictogen compoundorganic cationorganic salttetraalkylammonium saltalpha-amino acid esterquaternary ammonium saltaromatic homomonocyclic compoundmonocarboxylic acid or derivativesorganic oxygen compoundcarboxylic acid esterphenol esteralanine or derivativesphenolhydrocarbon derivativebenzenoidorganic nitrogen compoundphenoxy compoundamineorganooxygen compound |
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