| Record Information |
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| HMDB Status | Not Available |
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| Creation Date | 2024-02-20 23:53:49 UTC |
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| Update Date | 2025-03-21 18:03:59 UTC |
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| HMDB ID | Not Available |
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| Metabolite Identification |
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| DeepMet ID | DMID00047744 |
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| Frequency | 69.7 |
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| Structure | |
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| Chemical Formula | C18H20N2O5 |
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| Molecular Mass | 344.1372 |
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| SMILES | NC(CCC(=O)NC(Cc1cccc2ccccc12)C(=O)O)C(=O)O |
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| InChI Key | RBZHNIGNBCUKKR-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 homopolycyclic compounds |
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| Alternative Parents | alpha amino acidscarbonyl compoundscarboxylic acidsdicarboxylic acids and derivativesglutamine and derivativeshydrocarbon derivativesmonoalkylaminesn-acyl aminesn-acyl-alpha amino acidsnaphthalenesorganic oxidesorganonitrogen compoundsorganopnictogen compoundssecondary carboxylic acid amides |
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| Substituents | fatty acylcarbonyl groupcarboxylic acidglutamine or derivativesfatty amidealpha-amino acid or derivativesorganic oxideorganonitrogen compoundalpha-amino acidorganopnictogen compoundn-acyl-alpha amino acid or derivativesn-acyl-alpha-amino acidaromatic homopolycyclic compoundcarboxamide groupn-acyl-aminealpha-dipeptidesecondary carboxylic acid amidenaphthaleneorganic oxygen compounddicarboxylic acid or derivativeshydrocarbon derivativebenzenoidprimary aliphatic amineorganic nitrogen compoundorganooxygen compound |
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