| Record Information |
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| HMDB Status | Not Available |
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| Creation Date | 2024-02-20 23:41:33 UTC |
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| Update Date | 2025-03-21 17:59:06 UTC |
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| HMDB ID | Not Available |
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| Metabolite Identification |
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| DeepMet ID | DMID00018774 |
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| Frequency | 219.8 |
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| Structure | |
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| Chemical Formula | C12H19N2O3+ |
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| Molecular Mass | 239.139 |
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| SMILES | C[N+](C)(C)c1cc(CC(N)C(=O)O)ccc1O |
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| InChI Key | WBFHOUITHUEBCB-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 | tyrosine and derivatives |
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| Geometric Descriptor | aromatic homomonocyclic compounds |
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| Alternative Parents | 1-hydroxy-2-unsubstituted benzenoidsalpha amino acidsaminesamphetamines and derivativesaniline and substituted anilinescarbonyl compoundscarboxylic acidshydrocarbon derivativesmonoalkylaminesmonocarboxylic acids and derivativesorganic cationsorganic oxidesorganic saltsorganopnictogen compoundsphenylalanine and derivativesphenylpropanoic acidsquaternary ammonium saltso-aminophenols |
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| Substituents | monocyclic benzene moietycarbonyl groupcarboxylic acid3-phenylpropanoic-acid1-hydroxy-2-unsubstituted benzenoidorganic oxideorganonitrogen compoundalpha-amino acidorganopnictogen compoundorganic cationorganic saltamphetamine or derivativestyrosine or derivativesaniline or substituted anilinesquaternary ammonium saltaminophenolaromatic homomonocyclic compoundmonocarboxylic acid or derivativesphenylalanine or derivativesorganic oxygen compoundphenolhydrocarbon derivativebenzenoidprimary aliphatic amineorganic nitrogen compoundo-aminophenolamineorganooxygen compound |
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