| Record Information |
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| HMDB Status | Not Available |
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| Creation Date | 2024-02-21 14:51:06 UTC |
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| Update Date | 2025-03-25 00:50:27 UTC |
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| HMDB ID | Not Available |
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| Metabolite Identification |
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| DeepMet ID | DMID02181053 |
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| Frequency | 0.5 |
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| Structure | |
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| Chemical Formula | C16H19N3O5 |
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| Molecular Mass | 333.1325 |
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| SMILES | O=C(O)CC(NC(=O)c1ccc(N2CC3CCN3C2)cc1)C(=O)O |
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| InChI Key | DGAYWBMNKICHHZ-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 | aspartic acid and derivatives |
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| Geometric Descriptor | aromatic heteropolycyclic compounds |
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| Alternative Parents | 1,3-diazepanesalpha amino acidsaniline and substituted anilinesazacyclic compoundsazetidinesbenzoyl derivativescarbonyl compoundscarboxylic acidsdialkylarylaminesdicarboxylic acids and derivativeshippuric acids and derivativeshydrocarbon derivativesn-acyl-alpha amino acidsorganic oxidesorganonitrogen compoundsorganopnictogen compoundsphenylimidazolidinessecondary carboxylic acid amides |
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| Substituents | imidazolidinemonocyclic benzene moietycarbonyl groupcarboxylic acidphenylimidazolidinebenzoyldiazepanebenzamideorganic oxidearomatic heteropolycyclic compoundorganonitrogen compoundalpha-amino acidorganopnictogen compounddialkylarylamineorganoheterocyclic compoundn-acyl-alpha amino acid or derivatives1,3-diazepaneazacyclen-acyl-alpha-amino acidhippuric acid or derivativesaniline or substituted anilinesbenzoic acid or derivativescarboxamide groupazetidinesecondary carboxylic acid amideorganic oxygen compoundaspartic acid or derivativesdicarboxylic acid or derivativeshydrocarbon derivativebenzenoidorganic nitrogen compoundorganooxygen compound |
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