| Record Information |
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| HMDB Status | Not Available |
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| Creation Date | 2024-02-21 00:37:53 UTC |
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| Update Date | 2025-03-21 18:47:15 UTC |
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| HMDB ID | Not Available |
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| Metabolite Identification |
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| DeepMet ID | DMID00152310 |
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| Frequency | 29.9 |
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| Structure | |
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| Chemical Formula | C16H24N2O4 |
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| Molecular Mass | 308.1736 |
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| SMILES | COc1ccc(CC(N)C(=O)NC(CC(C)C)C(=O)O)cc1 |
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| InChI Key | JLYHJADLTGYDSQ-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 | dipeptides |
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| Geometric Descriptor | aromatic homomonocyclic compounds |
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| Alternative Parents | alkyl aryl ethersalpha amino acid amidesalpha amino acidsanisolescarbonyl compoundscarboxylic acidsfatty amideshydrocarbon derivativesleucine and derivativesmethoxybenzenesmethoxylated amphetaminesmonoalkylaminesmonocarboxylic acids and derivativesn-acyl-alpha amino acidsorganic oxidesorganonitrogen compoundsorganopnictogen compoundsphenoxy compoundsphenylalanine and derivativessecondary carboxylic acid amides |
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| Substituents | fatty acylphenol ethermonocyclic benzene moietycarbonyl groupethercarboxylic acidfatty amidealpha-amino acid or derivativesalkyl aryl etherorganic oxideleucine or derivativesorganonitrogen compoundalpha-amino acidorganopnictogen compoundamphetamine or derivativesn-acyl-alpha amino acid or derivativesalpha-amino acid amiden-acyl-alpha-amino acidmethoxylated amphetaminecarboxamide groupmethoxybenzenearomatic homomonocyclic compoundalpha-dipeptidesecondary carboxylic acid amidemonocarboxylic acid or derivativesphenylalanine or derivativesorganic oxygen compoundanisolehydrocarbon derivativebenzenoidprimary aliphatic amineorganic nitrogen compoundphenoxy compoundorganooxygen compound |
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