| Record Information |
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| HMDB Status | Not Available |
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| Creation Date | 2024-02-21 14:59:15 UTC |
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| Update Date | 2025-03-25 00:53:25 UTC |
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| HMDB ID | Not Available |
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| Metabolite Identification |
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| DeepMet ID | DMID02199552 |
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| Frequency | 0.5 |
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| Structure | |
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| Chemical Formula | C13H17N3O2 |
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| Molecular Mass | 247.1321 |
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| SMILES | NC(=O)CCC(N)C(=O)N1CCc2ccccc21 |
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| InChI Key | DHQSCRAFVKRALD-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 | alpha amino acid amides |
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| Geometric Descriptor | aromatic heteropolycyclic compounds |
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| Alternative Parents | alpha amino acidsazacyclic compoundsbenzenoidscarbonyl compoundscarboxylic acids and derivativesfatty amideshydrocarbon derivativesindolesmonoalkylaminesorganic oxidesorganonitrogen compoundsorganopnictogen compoundsprimary carboxylic acid amidestertiary carboxylic acid amides |
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| Substituents | primary carboxylic acid amidefatty acylcarbonyl groupindolefatty amideorganic oxidearomatic heteropolycyclic compoundtertiary carboxylic acid amideorganonitrogen compoundalpha-amino acidorganopnictogen compoundorganoheterocyclic compoundalpha-amino acid amideazacycleindole or derivativescarboxamide grouporganic oxygen compoundhydrocarbon derivativebenzenoidprimary aliphatic amineorganic nitrogen compoundorganooxygen compound |
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