| Record Information |
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| HMDB Status | Not Available |
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| Creation Date | 2024-02-21 14:53:56 UTC |
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| Update Date | 2025-03-25 00:51:31 UTC |
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| HMDB ID | Not Available |
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| Metabolite Identification |
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| DeepMet ID | DMID02187493 |
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| Frequency | 0.5 |
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| Structure | |
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| Chemical Formula | C16H25N2O2+ |
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| Molecular Mass | 277.1911 |
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| SMILES | CC(C)C(NC(=O)Cc1ccccc1)C(=O)[N+](C)(C)C |
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| InChI Key | BFVMNSNYXFAPCY-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 | n-acyl-alpha amino acids |
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| Geometric Descriptor | aromatic homomonocyclic compounds |
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| Alternative Parents | alpha amino acid amidesalpha amino acidscarbonyl compoundscarboxylic acids and derivativeshydrocarbon derivativesorganic cationsorganic oxidesorganonitrogen compoundsorganopnictogen compoundsphenylacetamidessecondary carboxylic acid amidesvaline and derivatives |
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| Substituents | monocyclic benzene moietycarbonyl groupalpha-amino acid amiden-acyl-alpha-amino acidvaline or derivativescarboxamide grouparomatic homomonocyclic compoundsecondary carboxylic acid amideorganic oxideorganic oxygen compoundorganonitrogen compoundalpha-amino acidorganopnictogen compoundhydrocarbon derivativebenzenoidorganic nitrogen compoundorganic cationphenylacetamideorganooxygen compound |
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