| Record Information |
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| HMDB Status | Not Available |
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| Creation Date | 2024-02-21 14:52:36 UTC |
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| Update Date | 2025-03-25 00:51:02 UTC |
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| HMDB ID | Not Available |
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| Metabolite Identification |
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| DeepMet ID | DMID02184400 |
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| Frequency | 0.5 |
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| Structure | |
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| Chemical Formula | C19H20N4O3 |
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| Molecular Mass | 352.1535 |
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| SMILES | NC(Cc1c[nH]c2ccccc12)C(=O)NCC(=O)Nc1ccc(O)cc1 |
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| InChI Key | LUIBTSWEWMDVQZ-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 heteropolycyclic compounds |
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| Alternative Parents | 1-hydroxy-2-unsubstituted benzenoidsalpha amino acid amidesalpha amino acidsanilidesazacyclic compoundscarbonyl compoundscarboxylic acids and derivativesfatty amidesheteroaromatic compoundshydrocarbon derivativesindolesmonoalkylaminesn-acyl-alpha amino acidsn-arylamidesorganic oxidesorganopnictogen compoundspyrrolessecondary carboxylic acid amides |
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| Substituents | fatty acylmonocyclic benzene moietycarbonyl groupindolefatty amide1-hydroxy-2-unsubstituted benzenoidn-arylamidealpha-amino acid or derivativesorganic oxidearomatic heteropolycyclic compoundorganonitrogen compoundalpha-amino acidorganopnictogen compoundorganoheterocyclic compoundn-acyl-alpha amino acid or derivativesalpha-amino acid amideazacyclen-acyl-alpha-amino acidheteroaromatic compoundindole or derivativescarboxamide groupn-substituted-alpha-amino acidalpha-dipeptideanilidesecondary carboxylic acid amideorganic oxygen compoundpyrrolephenolhydrocarbon derivativebenzenoidprimary aliphatic amineorganic nitrogen compoundorganooxygen compound |
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