| Record Information |
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| HMDB Status | Not Available |
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| Creation Date | 2024-02-21 14:47:02 UTC |
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| Update Date | 2025-03-25 00:49:03 UTC |
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| HMDB ID | Not Available |
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| Metabolite Identification |
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| DeepMet ID | DMID02171676 |
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| Frequency | 0.5 |
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| Structure | |
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| Chemical Formula | C13H16N4O5 |
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| Molecular Mass | 308.1121 |
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| SMILES | CN(C(=N)N)c1ccc(C(=O)NC(CC(=O)O)C(=O)O)cc1 |
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| InChI Key | KQWQOUNYXRGYEJ-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 homomonocyclic compounds |
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| Alternative Parents | alpha amino acidsbenzoyl derivativescarbonyl compoundscarboximidamidescarboxylic acidsdicarboxylic acids and derivativesguanidinesguanidinobenzoic acids and derivativeshippuric acids and derivativeshydrocarbon derivativesiminesn-acyl-alpha amino acidsorganic oxidesorganopnictogen compoundssecondary carboxylic acid amides |
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| Substituents | monocyclic benzene moietycarbonyl groupcarboxylic acidguanidineiminebenzoylbenzamideorganic oxideorganonitrogen compoundalpha-amino acidorganopnictogen compoundn-acyl-alpha amino acid or derivativesn-acyl-alpha-amino acidhippuric acid or derivativesbenzoic acid or derivativescarboximidamidecarboxamide grouparomatic homomonocyclic compoundsecondary carboxylic acid amideorganic oxygen compoundaspartic acid or derivativesdicarboxylic acid or derivativeshydrocarbon derivativebenzenoidguanidinobenzoic acid or derivativesorganic nitrogen compoundorganooxygen compound |
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