| Record Information |
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| HMDB Status | Not Available |
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| Creation Date | 2024-02-21 00:08:10 UTC |
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| Update Date | 2025-03-21 18:30:17 UTC |
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| HMDB ID | Not Available |
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| Metabolite Identification |
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| DeepMet ID | DMID00081797 |
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| Frequency | 35.4 |
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| Structure | |
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| Chemical Formula | C12H15N5O5 |
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| Molecular Mass | 309.1073 |
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| SMILES | N=C(NC(=N)NC(CC(=O)O)C(=O)O)Nc1ccc(O)cc1 |
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| InChI Key | UJZULHPPZKCSLD-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 | 1-arylbiguanides1-hydroxy-2-unsubstituted benzenoidsalpha amino acidsbenzene and substituted derivativescarbonyl compoundscarboximidamidescarboxylic acidsdicarboxylic acids and derivativeshydrocarbon derivativesiminesorganic oxidesorganopnictogen compounds |
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| Substituents | monocyclic benzene moietycarbonyl groupcarboxylic acidguanidineimine1-hydroxy-2-unsubstituted benzenoidorganic oxideorganonitrogen compoundalpha-amino acidorganopnictogen compound1-arylbiguanidecarboximidamidearomatic homomonocyclic compoundarylbiguanideorganic oxygen compoundaspartic acid or derivativesdicarboxylic acid or derivativesphenolhydrocarbon derivativebenzenoidorganic nitrogen compoundbiguanideorganooxygen compound |
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