| Record Information |
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| HMDB Status | Not Available |
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| Creation Date | 2024-02-21 00:08:32 UTC |
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| Update Date | 2025-03-21 18:30:32 UTC |
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| HMDB ID | Not Available |
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| Metabolite Identification |
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| DeepMet ID | DMID00082650 |
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| Frequency | 34.9 |
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| Structure | |
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| Chemical Formula | C14H19NO3 |
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| Molecular Mass | 249.1365 |
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| SMILES | CC(=O)NC(Cc1ccc(C(C)C)cc1)C(=O)O |
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| InChI Key | KXBRCTGODHYIMQ-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 | phenylalanine and derivatives |
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| Geometric Descriptor | aromatic homomonocyclic compounds |
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| Alternative Parents | acetamidesalpha amino acidsamphetamines and derivativesaromatic monoterpenoidscarbonyl compoundscarboxylic acidscumeneshydrocarbon derivativesmonocarboxylic acids and derivativesmonocyclic monoterpenoidsn-acyl-alpha amino acidsorganic oxidesorganonitrogen compoundsorganopnictogen compoundsphenylpropanesphenylpropanoic acidssecondary carboxylic acid amides |
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| Substituents | monoterpenoidmonocyclic benzene moietycarbonyl groupmonocyclic monoterpenoidcarboxylic acid3-phenylpropanoic-acidp-cymenephenylpropaneorganic oxideorganonitrogen compoundalpha-amino acidorganopnictogen compoundcumeneacetamideamphetamine or derivativesn-acyl-alpha amino acid or derivativesn-acyl-alpha-amino acidcarboxamide grouparomatic homomonocyclic compoundsecondary carboxylic acid amidemonocarboxylic acid or derivativesphenylalanine or derivativesorganic oxygen compoundhydrocarbon derivativebenzenoidorganic nitrogen compoundorganooxygen compoundaromatic monoterpenoid |
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