| Record Information |
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| HMDB Status | Not Available |
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| Creation Date | 2024-02-21 00:15:52 UTC |
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| Update Date | 2025-03-21 18:34:18 UTC |
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| HMDB ID | Not Available |
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| Metabolite Identification |
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| DeepMet ID | DMID00100157 |
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| Frequency | 27.4 |
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| Structure | |
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| Chemical Formula | C15H22N2O4 |
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| Molecular Mass | 294.158 |
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| SMILES | CC(C)C(NC(=O)C(N)C(O)Cc1ccccc1)C(=O)O |
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| InChI Key | BWCWNCNZHHIMIY-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 acidsbenzene and substituted derivativescarbonyl compoundscarboxylic acidshydrocarbon derivativesmonoalkylaminesmonocarboxylic acids and derivativesn-acyl aminesn-acyl-alpha amino acidsorganic oxidesorganonitrogen compoundsorganopnictogen compoundssecondary alcoholssecondary carboxylic acid amidesvaline and derivatives |
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| Substituents | fatty acylmonocyclic benzene moietycarbonyl groupcarboxylic acidfatty amidealpha-amino acid or derivativesorganic oxideorganonitrogen compoundalpha-amino acidorganopnictogen compoundn-acyl-alpha amino acid or derivativesalcoholalpha-amino acid amiden-acyl-alpha-amino acidvaline or derivativescarboxamide groupn-acyl-aminearomatic homomonocyclic compoundalpha-dipeptidesecondary carboxylic acid amidemonocarboxylic acid or derivativesorganic oxygen compoundsecondary alcoholhydrocarbon derivativebenzenoidprimary aliphatic amineorganic nitrogen compoundorganooxygen compound |
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