| Record Information |
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| HMDB Status | Not Available |
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| Creation Date | 2024-02-21 14:59:35 UTC |
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| Update Date | 2025-03-25 00:53:32 UTC |
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| HMDB ID | Not Available |
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| Metabolite Identification |
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| DeepMet ID | DMID02200323 |
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| Frequency | 0.5 |
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| Structure | |
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| Chemical Formula | C12H14N4O5 |
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| Molecular Mass | 294.0964 |
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| SMILES | N=C(NC(=O)NC(CC(=O)O)C(=O)O)Nc1ccccc1 |
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| InChI Key | WAMGGWCWDXWWEM-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 | alpha amino acidsbenzene and substituted derivativescarbonyl compoundscarboximidamidescarboxylic acidsdicarboxylic acids and derivativesguanidineshydrocarbon derivativesiminesn-carbamoyl-alpha amino acidsorganic carbonic acids and derivativesorganic oxidesorganopnictogen compounds |
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| Substituents | monocyclic benzene moietycarbonyl groupcarbonic acid derivativecarboxylic acidguanidineiminen-carbamoyl-alpha-amino acidcarboximidamidearomatic homomonocyclic compoundorganic oxideorganic oxygen compoundn-carbamoyl-alpha-amino acid or derivativesaspartic acid or derivativesorganonitrogen compoundalpha-amino aciddicarboxylic acid or derivativesorganopnictogen compoundhydrocarbon derivativebenzenoidorganic nitrogen compoundorganooxygen compound |
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