| Record Information |
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| HMDB Status | Not Available |
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| Creation Date | 2024-02-21 00:28:39 UTC |
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| Update Date | 2025-03-21 18:40:44 UTC |
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| HMDB ID | Not Available |
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| Metabolite Identification |
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| DeepMet ID | DMID00130995 |
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| Frequency | 19.3 |
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| Structure | |
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| Chemical Formula | C12H19N2O2+ |
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| Molecular Mass | 223.1441 |
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| SMILES | C[N+](C)(C)c1ccc(CC(N)C(=O)O)cc1 |
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| InChI Key | VWQSSCNXSBGZAD-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 | phenylalanine and derivatives |
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| Geometric Descriptor | aromatic homomonocyclic compounds |
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| Alternative Parents | alpha amino acidsaminesamphetamines and derivativesaniline and substituted anilinescarbonyl compoundscarboxylic acidshydrocarbon derivativesmonoalkylaminesmonocarboxylic acids and derivativesorganic cationsorganic oxidesorganic saltsorganopnictogen compoundsphenylpropanoic acidsquaternary ammonium salts |
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| Substituents | monocyclic benzene moietycarbonyl groupcarboxylic acid3-phenylpropanoic-acidorganic oxideorganonitrogen compoundalpha-amino acidorganopnictogen compoundorganic cationorganic saltamphetamine or derivativesaniline or substituted anilinesquaternary ammonium saltaromatic homomonocyclic compoundmonocarboxylic acid or derivativesphenylalanine or derivativesorganic oxygen compoundhydrocarbon derivativebenzenoidprimary aliphatic amineorganic nitrogen compoundamineorganooxygen compound |
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