| Record Information |
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| HMDB Status | Not Available |
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| Creation Date | 2024-02-21 00:18:17 UTC |
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| Update Date | 2025-03-21 18:35:32 UTC |
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| HMDB ID | Not Available |
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| Metabolite Identification |
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| DeepMet ID | DMID00106132 |
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| Frequency | 25.4 |
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| Structure | |
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| Chemical Formula | C12H15N5O4 |
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| Molecular Mass | 293.1124 |
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| SMILES | N=C(NC(=N)NC(CC(=O)O)C(=O)O)Nc1ccccc1 |
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| InChI Key | AGSSRSOZOPGEPZ-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-arylbiguanidesalpha amino acidsbenzene and substituted derivativescarbonyl compoundscarboximidamidescarboxylic acidsdicarboxylic acids and derivativeshydrocarbon derivativesiminesorganic oxidesorganopnictogen compounds |
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| Substituents | monocyclic benzene moietycarbonyl groupcarboxylic acidguanidineiminecarboximidamidearomatic homomonocyclic compoundorganic oxidearylbiguanideorganic oxygen compoundaspartic acid or derivativesorganonitrogen compoundalpha-amino aciddicarboxylic acid or derivativesorganopnictogen compoundhydrocarbon derivative1-arylbiguanidebenzenoidorganic nitrogen compoundbiguanideorganooxygen compound |
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