| Record Information |
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| HMDB Status | Not Available |
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| Creation Date | 2024-02-21 15:15:45 UTC |
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| Update Date | 2025-03-25 00:59:28 UTC |
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| HMDB ID | Not Available |
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| Metabolite Identification |
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| DeepMet ID | DMID02237271 |
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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 | O=C(CNC(=O)C1CCCN1)Nc1ccccc1 |
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| InChI Key | WGFMZRNSUANSQX-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 heteromonocyclic compounds |
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| Alternative Parents | alpha amino acid amidesalpha amino acidsanilidesazacyclic compoundscarbonyl compoundscarboxylic acids and derivativesdialkylamineshydrocarbon derivativesn-acyl-alpha amino acidsn-arylamidesorganic oxidesorganopnictogen compoundsproline and derivativespyrrolidinecarboxamidessecondary carboxylic acid amides |
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| Substituents | monocyclic benzene moietycarbonyl grouparomatic heteromonocyclic compoundamino acid or derivativesn-arylamidealpha-amino acid or derivativesorganic oxideorganonitrogen compoundalpha-amino acidorganopnictogen compoundpyrrolidineorganoheterocyclic compoundn-acyl-alpha amino acid or derivativesproline or derivativessecondary aliphatic aminealpha-amino acid amideazacyclen-acyl-alpha-amino acidsecondary aminecarboxamide groupn-substituted-alpha-amino acidalpha-dipeptideanilidesecondary carboxylic acid amidepyrrolidine carboxylic acid or derivativesorganic oxygen compoundhydrocarbon derivativebenzenoidorganic nitrogen compoundpyrrolidine-2-carboxamideorganooxygen compoundamine |
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