| Record Information |
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| HMDB Status | Not Available |
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| Creation Date | 2024-02-21 14:47:14 UTC |
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| Update Date | 2025-03-25 00:49:07 UTC |
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| HMDB ID | Not Available |
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| Metabolite Identification |
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| DeepMet ID | DMID02172118 |
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| Frequency | 0.5 |
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| Structure | |
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| Chemical Formula | C22H24N4O5 |
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| Molecular Mass | 424.1747 |
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| SMILES | CN1C2c3ccccc3NCC2CN1c1ccc(C(=O)NC(CC(=O)O)C(=O)O)cc1 |
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| InChI Key | JVFJJKDEPLJUKG-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 | alkylhydrazinesalpha amino acidsamino acidsazacyclic compoundsbenzoyl derivativescarbonyl compoundscarboxylic acidsdicarboxylic acids and derivativeshippuric acids and derivativeshydrocarbon derivativeshydroquinolinesn-acyl-alpha amino acidsorganic oxidesorganopnictogen compoundspyrazolidinessecondary alkylarylaminessecondary carboxylic acid amides |
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| Substituents | monocyclic benzene moietycarbonyl groupcarboxylic acidamino acidbenzoylbenzamidealkylhydrazineorganic oxidearomatic heteropolycyclic compoundorganonitrogen compoundalpha-amino acidorganopnictogen compoundtetrahydroquinolineorganoheterocyclic compoundn-acyl-alpha amino acid or derivativeshydrazine derivativepyrazolidineazacyclen-acyl-alpha-amino acidhippuric acid or derivativesbenzoic acid or derivativessecondary aminecarboxamide groupsecondary aliphatic/aromatic aminesecondary carboxylic acid amideorganic oxygen compoundaspartic acid or derivativesdicarboxylic acid or derivativeshydrocarbon derivativebenzenoidorganic nitrogen compoundamineorganooxygen compound |
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