Record Information |
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HMDB Status | Not Available |
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Creation Date | 2024-02-21 00:17:15 UTC |
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Update Date | 2025-03-21 18:35:03 UTC |
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HMDB ID | Not Available |
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Metabolite Identification |
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DeepMet ID | DMID00103606 |
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Frequency | 26.2 |
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Structure | |
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Chemical Formula | C15H20N2O6 |
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Molecular Mass | 324.1321 |
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SMILES | COc1cccc(CC(NC(=O)CCC(N)C(=O)O)C(=O)O)c1 |
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InChI Key | RTVYJKHOZJZVHZ-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 acidsanisolescarbonyl compoundscarboxylic acidsdicarboxylic acids and derivativesglutamine and derivativeshydrocarbon derivativesmethoxybenzenesmethoxylated amphetaminesmonoalkylaminesn-acyl aminesn-acyl-alpha amino acidsorganic oxidesorganonitrogen compoundsorganopnictogen compoundsphenoxy compoundsphenylalanine and derivativesphenylpropanoic acidssecondary carboxylic acid amides |
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Substituents | fatty acylphenol ethermonocyclic benzene moietycarbonyl groupethercarboxylic acidglutamine or derivatives3-phenylpropanoic-acidfatty amidealpha-amino acid or derivativesalkyl aryl etherorganic oxideorganonitrogen compoundalpha-amino acidorganopnictogen compoundamphetamine or derivativesn-acyl-alpha amino acid or derivativesn-acyl-alpha-amino acidmethoxylated amphetaminecarboxamide groupmethoxybenzenen-acyl-aminearomatic homomonocyclic compoundalpha-dipeptidesecondary carboxylic acid amidephenylalanine or derivativesorganic oxygen compoundanisoledicarboxylic acid or derivativeshydrocarbon derivativebenzenoidprimary aliphatic amineorganic nitrogen compoundphenoxy compoundorganooxygen compound |
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