| Record Information |
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| HMDB Status | Not Available |
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| Creation Date | 2024-02-21 15:16:00 UTC |
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| Update Date | 2025-03-25 00:59:33 UTC |
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| HMDB ID | Not Available |
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| Metabolite Identification |
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| DeepMet ID | DMID02237847 |
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| Frequency | 0.5 |
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| Structure | |
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| Chemical Formula | C25H26N8O5 |
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| Molecular Mass | 518.2026 |
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| SMILES | Nc1nc2c(c(=O)[nH]1)N1CN(c3ccc(C(=O)NC(CC(=O)c4ccccc4N)C(=O)O)cc3)CC1CN2 |
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| InChI Key | OTVUPNWZYHRTDF-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 | alkyl-phenylketonesalpha amino acidsamino acidsaniline and substituted anilinesaryl alkyl ketonesazacyclic compoundsbenzoyl derivativesbutyrophenonescarboxylic acidsdialkylarylaminesgamma-keto acids and derivativesheteroaromatic compoundshydrocarbon derivativesimidazopyrazinesimidolactamslactamsmonocarboxylic acids and derivativesn-acyl-alpha amino acidsorganic oxidesorganopnictogen compoundsphenylimidazolidinesprimary aminespterins and derivativespyrimidonessecondary alkylarylaminessecondary carboxylic acid amidesvinylogous amides |
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| Substituents | imidazolidinelactamcarboxylic acidaryl alkyl ketonephenylimidazolidineimidazopyrazineamino acid or derivativesbenzoylalpha-amino acid or derivativesketoneorganonitrogen compoundalpha-amino acidorganoheterocyclic compoundn-acyl-alpha amino acid or derivativesvinylogous amidepterinazacyclen-acyl-alpha-amino acidheteroaromatic compoundphenylketonesecondary aliphatic/aromatic aminesecondary carboxylic acid amideketo acidhydrocarbon derivativeprimary amineaminealkyl-phenylketonearyl ketonecarbonyl groupamino acidpyrimidonecarboxylic acid derivativepyrimidineorganic oxidearomatic heteropolycyclic compoundorganopnictogen compounddialkylarylamineimidolactamhippuric acid or derivativesaniline or substituted anilinessecondary aminecarboxamide groupgamma-keto acidbutyrophenonemonocarboxylic acid or derivativesorganic oxygen compoundorganic nitrogen compoundorganooxygen compound |
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