| 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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