| Record Information |
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| HMDB Status | Not Available |
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| Creation Date | 2024-02-20 23:44:52 UTC |
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| Update Date | 2025-03-21 18:00:18 UTC |
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| HMDB ID | Not Available |
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| Metabolite Identification |
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| DeepMet ID | DMID00026371 |
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| Frequency | 145.3 |
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| Structure | |
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| Chemical Formula | C12H15NO3 |
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| Molecular Mass | 221.1052 |
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| SMILES | CC(=O)NC(C)(Cc1ccccc1)C(=O)O |
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| InChI Key | JOEYNSDLNJDQLI-UHFFFAOYSA-N |
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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 | n-acyl-alpha amino acids |
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| Geometric Descriptor | aromatic homomonocyclic compounds |
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| Alternative Parents | acetamidesalpha amino acidsamphetamines and derivativescarbonyl compoundscarboxylic acidshydrocarbon derivativesmonocarboxylic acids and derivativesorganic oxidesorganonitrogen compoundsorganopnictogen compoundsphenylpropanesphenylpropanoic acidssecondary carboxylic acid amides |
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| Substituents | monocyclic benzene moietycarbonyl groupcarboxylic acid3-phenylpropanoic-acidphenylpropaneorganic oxideorganonitrogen compoundalpha-amino acidorganopnictogen compoundacetamideamphetamine or derivativesn-acyl-alpha-amino acidcarboxamide grouparomatic homomonocyclic compoundsecondary carboxylic acid amidemonocarboxylic acid or derivativesorganic oxygen compoundhydrocarbon derivativebenzenoidorganic nitrogen compoundorganooxygen compound |
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