| Record Information |
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| HMDB Status | Not Available |
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| Creation Date | 2024-02-21 15:07:11 UTC |
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| Update Date | 2025-03-25 00:56:22 UTC |
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| HMDB ID | Not Available |
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| Metabolite Identification |
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| DeepMet ID | DMID02217934 |
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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 | N=C(NCCCC(=O)C(=O)O)NC(=O)c1ccccc1N |
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| InChI Key | IZERTUYNVLPVKX-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 | benzoic acids and derivatives |
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| Geometric Descriptor | aromatic homomonocyclic compounds |
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| Alternative Parents | alpha-hydroxy ketonesalpha-keto acids and derivativesamino acidsbenzoyl derivativescarboximidamidescarboxylic acidsguanidineshydrocarbon derivativesiminesmonocarboxylic acids and derivativesorganic oxidesorganopnictogen compoundsprimary aminesvinylogous amides |
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| Substituents | carbonyl groupcarboxylic acidamino acid or derivativesamino acidguanidineiminebenzoylalpha-hydroxy ketonecarboxylic acid derivativeketoneorganic oxideorganonitrogen compoundalpha-keto acidorganopnictogen compoundvinylogous amidebenzoic acid or derivativescarboximidamidearomatic homomonocyclic compoundmonocarboxylic acid or derivativesorganic oxygen compoundketo acidhydrocarbon derivativeprimary amineorganic nitrogen compoundamineorganooxygen compound |
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