| Record Information |
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| HMDB Status | Not Available |
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| Creation Date | 2024-02-21 00:27:26 UTC |
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| Update Date | 2025-03-21 18:40:00 UTC |
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| HMDB ID | Not Available |
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| Metabolite Identification |
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| DeepMet ID | DMID00128112 |
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| Frequency | 19.9 |
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| Structure | |
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| Chemical Formula | C10H12NO3+ |
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| Molecular Mass | 194.0812 |
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| SMILES | C[N+](=O)C(Cc1ccccc1)C(=O)O |
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| InChI Key | LYIPAQXORCSCOA-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 acidsaminoxidesamphetamines and derivativesbenzene and substituted derivativescarbonyl compoundscarboxylic acidshydrocarbon derivativesmonocarboxylic acids and derivativesorganic cationsorganic oxidesorganic oxoazanium compoundsorganopnictogen compoundsphenylpropanoic acids |
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| Substituents | monocyclic benzene moietycarbonyl groupcarboxylic acid3-phenylpropanoic-acidaromatic homomonocyclic compoundorganic oxidemonocarboxylic acid or derivativesphenylalanine or derivativesorganic oxygen compoundaminoxideorganonitrogen compoundalpha-amino acidorganopnictogen compoundhydrocarbon derivativebenzenoidorganic nitrogen compoundorganic cationorganic oxoazaniumorganooxygen compoundamphetamine or derivatives |
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