| Record Information |
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| HMDB Status | Not Available |
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| Creation Date | 2024-02-21 15:03:34 UTC |
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| Update Date | 2025-03-25 00:54:55 UTC |
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| HMDB ID | Not Available |
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| Metabolite Identification |
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| DeepMet ID | DMID02209484 |
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| Frequency | 0.5 |
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| Structure | |
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| Chemical Formula | C22H29NO2 |
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| Molecular Mass | 339.2198 |
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| SMILES | CC1=C(C)C(=CC=NC(Cc2ccc(C)cc2)C(=O)O)CC(C)(C)C1 |
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| InChI Key | LZEVMJJBSMZYDO-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 | aldiminesalpha amino acidsamphetamines and derivativescarbonyl compoundscarboxylic acidshydrocarbon derivativesmonocarboxylic acids and derivativesorganic oxidesorganopnictogen compoundsphenylpropanoic acidspropargyl-type 1,3-dipolar organic compoundstoluenes |
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| Substituents | monocyclic benzene moietycarbonyl groupcarboxylic acid3-phenylpropanoic-acidiminepropargyl-type 1,3-dipolar organic compoundaldimineorganic oxideorganonitrogen compoundalpha-amino acidorganopnictogen compoundamphetamine or derivativesorganic 1,3-dipolar compoundaromatic homomonocyclic compoundmonocarboxylic acid or derivativesphenylalanine or derivativesorganic oxygen compoundhydrocarbon derivativebenzenoidorganic nitrogen compoundtolueneorganooxygen compound |
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