| Record Information |
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| HMDB Status | Not Available |
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| Creation Date | 2024-02-20 23:47:56 UTC |
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| Update Date | 2025-03-21 18:01:35 UTC |
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| HMDB ID | Not Available |
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| Metabolite Identification |
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| DeepMet ID | DMID00033588 |
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| Frequency | 107.9 |
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| Structure | |
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| Chemical Formula | C14H18N2O7 |
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| Molecular Mass | 326.1114 |
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| SMILES | COc1cc(CC(NC(=O)C(N)CC(=O)O)C(=O)O)ccc1O |
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| InChI Key | GMGOZRSASLDUQC-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 | 1-hydroxy-2-unsubstituted benzenoidsalkyl aryl ethersalpha amino acid amidesalpha amino acidsanisolesaspartic acid and derivativescarbonyl compoundscarboxylic acidsdicarboxylic acids and derivativeshydrocarbon derivativesmethoxybenzenesmethoxylated amphetaminesmethoxyphenolsmonoalkylaminesn-acyl aminesn-acyl-alpha amino acidsorganic oxidesorganonitrogen compoundsorganopnictogen compoundsphenoxy compoundsphenylalanine and derivativesphenylpropanoic acidssecondary carboxylic acid amidestyrosine and derivatives |
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| Substituents | fatty acylphenol ethermonocyclic benzene moietycarbonyl groupethercarboxylic acid3-phenylpropanoic-acidfatty amide1-hydroxy-2-unsubstituted benzenoidmethoxyphenolalpha-amino acid or derivativesalkyl aryl etherorganic oxideorganonitrogen compoundalpha-amino acidorganopnictogen compoundamphetamine or derivativesn-acyl-alpha amino acid or derivativestyrosine or derivativesalpha-amino acid amiden-acyl-alpha-amino acidmethoxylated amphetaminecarboxamide groupmethoxybenzenen-acyl-aminearomatic homomonocyclic compoundalpha-dipeptidesecondary carboxylic acid amidephenylalanine or derivativesorganic oxygen compoundanisoleaspartic acid or derivativesdicarboxylic acid or derivativesphenolhydrocarbon derivativebenzenoidprimary aliphatic amineorganic nitrogen compoundphenoxy compoundorganooxygen compound |
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