| Record Information |
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| HMDB Status | Not Available |
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| Creation Date | 2024-02-21 15:17:50 UTC |
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| Update Date | 2025-03-25 01:00:18 UTC |
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| HMDB ID | Not Available |
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| Metabolite Identification |
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| DeepMet ID | DMID02242035 |
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| Frequency | 0.5 |
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| Structure | |
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| Chemical Formula | C13H20N4O2 |
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| Molecular Mass | 264.1586 |
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| SMILES | CC(C)CC(N)C(=O)NC(=N)Nc1ccc(O)cc1 |
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| InChI Key | PMWHOJLXPVLCQO-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 | leucine and derivatives |
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| Geometric Descriptor | aromatic homomonocyclic compounds |
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| Alternative Parents | 1-hydroxy-2-unsubstituted benzenoidsalpha amino acid amidesalpha amino acidsbenzene and substituted derivativescarbonyl compoundscarboximidamidescarboxylic acids and derivativesguanidineshydrocarbon derivativesiminesmonoalkylaminesn-acyl aminesorganic oxidesorganopnictogen compounds |
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| Substituents | monocyclic benzene moietycarbonyl groupalpha-amino acid amideguanidineimine1-hydroxy-2-unsubstituted benzenoidcarboximidamiden-acyl-aminearomatic homomonocyclic compoundorganic oxideorganic oxygen compoundleucine or derivativesorganonitrogen compoundalpha-amino acidorganopnictogen compoundphenolhydrocarbon derivativebenzenoidprimary aliphatic amineorganic nitrogen compoundorganooxygen compound |
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