| Record Information |
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| HMDB Status | Not Available |
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| Creation Date | 2024-02-21 00:18:03 UTC |
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| Update Date | 2025-03-21 18:35:25 UTC |
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| HMDB ID | Not Available |
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| Metabolite Identification |
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| DeepMet ID | DMID00105564 |
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| Frequency | 25.6 |
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| Structure | |
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| Chemical Formula | C22H24N2O6 |
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| Molecular Mass | 412.1634 |
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| SMILES | O=C(O)CCC(NC(=O)C(Cc1ccccc1)NC(=O)Cc1ccccc1)C(=O)O |
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| InChI Key | VAUQNUJXEBUYIH-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 | alpha amino acid amidesalpha amino acidsamphetamines and derivativescarbonyl compoundscarboxylic acidsdicarboxylic acids and derivativesfatty amidesglutamic acid and derivativeshydrocarbon derivativesn-acyl-alpha amino acidsorganic oxidesorganonitrogen compoundsorganopnictogen compoundsphenylacetamidesphenylalanine and derivativessecondary carboxylic acid amides |
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| Substituents | fatty acylmonocyclic benzene moietycarbonyl groupcarboxylic acidfatty amidealpha-amino acid or derivativesorganic oxideorganonitrogen compoundalpha-amino acidorganopnictogen compoundphenylacetamideamphetamine or derivativesn-acyl-alpha amino acid or derivativesalpha-amino acid amiden-acyl-alpha-amino acidglutamic acid or derivativescarboxamide groupn-substituted-alpha-amino acidaromatic homomonocyclic compoundalpha-dipeptidesecondary carboxylic acid amidephenylalanine or derivativesorganic oxygen compounddicarboxylic acid or derivativeshydrocarbon derivativebenzenoidorganic nitrogen compoundorganooxygen compound |
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