| Record Information |
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| HMDB Status | Not Available |
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| Creation Date | 2024-02-21 15:07:59 UTC |
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| Update Date | 2025-03-25 00:56:39 UTC |
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| HMDB ID | Not Available |
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| Metabolite Identification |
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| DeepMet ID | DMID02219821 |
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| Frequency | 0.5 |
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| Structure | |
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| Chemical Formula | C15H25N2O3+ |
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| Molecular Mass | 281.186 |
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| SMILES | C[N+](C)(C)CCC(O)c1ccc(CC(N)C(=O)O)cc1 |
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| InChI Key | NVIRHDOEYDIURI-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 | 1,3-aminoalcoholsalpha amino acidsaminesamphetamines and derivativesaromatic alcoholsbenzene and substituted derivativescarbonyl compoundscarboxylic acidshydrocarbon derivativesmonoalkylaminesmonocarboxylic acids and derivativesorganic cationsorganic oxidesorganic saltsorganopnictogen compoundsphenylpropanoic acidssecondary alcoholstetraalkylammonium salts |
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| Substituents | aromatic alcoholmonocyclic benzene moietycarbonyl groupcarboxylic acid3-phenylpropanoic-acidorganic oxideorganonitrogen compoundalpha-amino acidorganopnictogen compoundorganic cationorganic saltamphetamine or derivativesalcohol1,3-aminoalcoholtetraalkylammonium saltquaternary ammonium saltaromatic homomonocyclic compoundmonocarboxylic acid or derivativesphenylalanine or derivativesorganic oxygen compoundsecondary alcoholhydrocarbon derivativebenzenoidprimary aliphatic amineorganic nitrogen compoundamineorganooxygen compound |
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