| Record Information |
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| HMDB Status | Not Available |
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| Creation Date | 2024-02-21 15:03:42 UTC |
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| Update Date | 2025-03-25 00:54:58 UTC |
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| HMDB ID | Not Available |
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| Metabolite Identification |
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| DeepMet ID | DMID02209809 |
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| Frequency | 0.5 |
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| Structure | |
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| Chemical Formula | C12H17N3O3 |
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| Molecular Mass | 251.127 |
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| SMILES | CC(N)C(=O)NC(C)C(=O)Nc1ccc(O)cc1 |
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| InChI Key | IFNBKKYLMFCDNT-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 | 1-hydroxy-2-unsubstituted benzenoidsalanine and derivativesalpha amino acid amidesalpha amino acidsanilidescarbonyl compoundscarboxylic acids and derivativeshydrocarbon derivativesmonoalkylaminesn-acyl-alpha amino acidsn-arylamidesorganic oxidesorganopnictogen compoundssecondary carboxylic acid amides |
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| Substituents | monocyclic benzene moietycarbonyl group1-hydroxy-2-unsubstituted benzenoidn-arylamidealpha-amino acid or derivativesorganic oxideorganonitrogen compoundalpha-amino acidorganopnictogen compoundn-acyl-alpha amino acid or derivativesalpha-amino acid amiden-acyl-alpha-amino acidcarboxamide groupn-substituted-alpha-amino acidaromatic homomonocyclic compoundalpha-dipeptideanilidesecondary carboxylic acid amideorganic oxygen compoundalanine or derivativesphenolhydrocarbon derivativebenzenoidprimary aliphatic amineorganic nitrogen compoundorganooxygen compound |
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