| Record Information |
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| HMDB Status | Not Available |
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| Creation Date | 2024-02-21 14:37:21 UTC |
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| Update Date | 2025-03-25 00:45:31 UTC |
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| HMDB ID | Not Available |
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| Metabolite Identification |
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| DeepMet ID | DMID02149608 |
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| Frequency | 0.5 |
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| Structure | |
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| Chemical Formula | C17H27N2O5+ |
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| Molecular Mass | 339.1914 |
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| SMILES | C[N+](C)(C)CC(CCC(=O)O)Oc1ccc(CC(N)C(=O)O)cc1 |
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| InChI Key | YDVNMSHEERIXMM-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 | alkyl aryl ethersalpha amino acidsaminesamphetamines and derivativescarbonyl compoundscarboxylic acidsdicarboxylic acids and derivativeshydrocarbon derivativesmonoalkylaminesorganic cationsorganic oxidesorganic saltsorganopnictogen compoundsphenol ethersphenoxy compoundsphenylpropanoic acidstetraalkylammonium salts |
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| Substituents | phenol ethermonocyclic benzene moietycarbonyl groupethercarboxylic acid3-phenylpropanoic-acidalkyl aryl etherorganic oxideorganonitrogen compoundalpha-amino acidorganopnictogen compoundorganic cationorganic saltamphetamine or derivativestetraalkylammonium saltquaternary ammonium saltaromatic homomonocyclic compoundphenylalanine or derivativesorganic oxygen compounddicarboxylic acid or derivativeshydrocarbon derivativebenzenoidprimary aliphatic amineorganic nitrogen compoundphenoxy compoundamineorganooxygen compound |
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