| Record Information |
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| HMDB Status | Not Available |
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| Creation Date | 2024-02-21 14:44:50 UTC |
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| Update Date | 2025-03-25 00:48:12 UTC |
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| HMDB ID | Not Available |
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| Metabolite Identification |
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| DeepMet ID | DMID02166668 |
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| Frequency | 0.5 |
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| Structure | |
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| Chemical Formula | C23H27N5O4 |
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| Molecular Mass | 437.2063 |
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| SMILES | CC(=O)NCCC(NC(=O)c1ccc(N2CC3CNc4ccccc4N3C2)cc1)C(=O)O |
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| InChI Key | RPQRMOLGEGHNAF-UHFFFAOYSA-N |
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| Chemical Taxonomy |
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| Kingdom | organic compounds |
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| Superclass | benzenoids |
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| Class | benzene and substituted derivatives |
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| Subclass | benzoic acids and derivatives |
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| Direct Parent | hippuric acids and derivatives |
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| Geometric Descriptor | aromatic heteropolycyclic compounds |
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| Alternative Parents | acetamidesalpha amino acidsamino acidsaniline and substituted anilinesazacyclic compoundsbenzoyl derivativescarbonyl compoundscarboxylic acidsdialkylarylamineshydrocarbon derivativesimidazopyrazinesmonocarboxylic acids and derivativesn-acyl-alpha amino acidsorganic oxidesorganopnictogen compoundsphenylimidazolidinessecondary alkylarylaminessecondary carboxylic acid amides |
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| Substituents | imidazolidinecarbonyl groupcarboxylic acidphenylimidazolidineimidazopyrazineamino acid or derivativesamino acidbenzoylalpha-amino acid or derivativescarboxylic acid derivativeorganic oxidearomatic heteropolycyclic compoundorganonitrogen compoundalpha-amino acidorganopnictogen compounddialkylarylamineorganoheterocyclic compoundacetamiden-acyl-alpha amino acid or derivativesazacyclen-acyl-alpha-amino acidhippuric acid or derivativesaniline or substituted anilinessecondary aminecarboxamide groupsecondary aliphatic/aromatic aminesecondary carboxylic acid amidemonocarboxylic acid or derivativesorganic oxygen compoundhydrocarbon derivativeorganic nitrogen compoundamineorganooxygen compound |
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