| Record Information |
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| HMDB Status | Not Available |
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| Creation Date | 2024-02-21 14:38:40 UTC |
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| Update Date | 2025-03-25 00:46:00 UTC |
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| HMDB ID | Not Available |
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| Metabolite Identification |
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| DeepMet ID | DMID02152671 |
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| Frequency | 0.5 |
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| Structure | |
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| Chemical Formula | C13H14N2O6 |
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| Molecular Mass | 294.0852 |
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| SMILES | NC(=NC(CC(=O)O)C(=O)O)C(=O)Cc1ccc(O)cc1 |
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| InChI Key | TXBWRNWNDGYTLE-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-hydroxy-2-unsubstituted benzenoidsalpha amino acidsamidinesbenzene and substituted derivativescarboximidamidescarboxylic acidsdicarboxylic acids and derivativeshydrocarbon derivativesketonesorganic oxidesorganopnictogen compoundspropargyl-type 1,3-dipolar organic compounds |
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| Substituents | monocyclic benzene moietycarbonyl groupcarboxylic acid1-hydroxy-2-unsubstituted benzenoidamidinepropargyl-type 1,3-dipolar organic compoundketoneorganic oxideorganonitrogen compoundalpha-amino acidorganopnictogen compoundorganic 1,3-dipolar compoundcarboximidamidearomatic homomonocyclic compoundorganic oxygen compoundaspartic acid or derivativesdicarboxylic acid or derivativesphenolhydrocarbon derivativebenzenoidorganic nitrogen compoundorganooxygen compound |
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