| Record Information |
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| HMDB Status | Not Available |
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| Creation Date | 2024-02-21 15:11:28 UTC |
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| Update Date | 2025-03-25 00:57:55 UTC |
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| HMDB ID | Not Available |
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| Metabolite Identification |
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| DeepMet ID | DMID02227628 |
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| Frequency | 0.5 |
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| Structure | |
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| Chemical Formula | C13H16N4O4 |
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| Molecular Mass | 292.1172 |
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| SMILES | CC(=O)NC(CC(=O)NC(=N)Nc1ccccc1)C(=O)O |
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| InChI Key | DRWOFDUNRXTYOX-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 | asparagine and derivatives |
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| Geometric Descriptor | aromatic homomonocyclic compounds |
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| Alternative Parents | acetamidesalpha amino acidsbenzene and substituted derivativescarbonyl compoundscarboximidamidescarboxylic acidsguanidineshydrocarbon derivativesiminesmonocarboxylic acids and derivativesn-acyl aminesn-acyl-alpha amino acidsorganic oxidesorganopnictogen compoundssecondary carboxylic acid amides |
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| Substituents | monocyclic benzene moietycarbonyl groupcarboxylic acidguanidineimineorganic oxideorganonitrogen compoundalpha-amino acidorganopnictogen compoundasparagine or derivativesacetamiden-acyl-alpha amino acid or derivativesn-acyl-alpha-amino acidcarboximidamidecarboxamide groupn-acyl-aminearomatic homomonocyclic compoundsecondary carboxylic acid amidemonocarboxylic acid or derivativesorganic oxygen compoundhydrocarbon derivativebenzenoidorganic nitrogen compoundorganooxygen compound |
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