Record Information |
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HMDB Status | Not Available |
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Creation Date | 2024-02-21 00:15:33 UTC |
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Update Date | 2025-03-21 18:34:08 UTC |
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HMDB ID | Not Available |
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Metabolite Identification |
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DeepMet ID | DMID00099400 |
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Frequency | 27.6 |
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Structure | |
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Chemical Formula | C12H12N2O6 |
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Molecular Mass | 280.0695 |
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SMILES | O=CNc1ccc(C(=O)NC(CC(=O)O)C(=O)O)cc1 |
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InChI Key | NIPAFLUCNPCGJB-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 | acylaminobenzoic acid and derivativesalpha amino acidsanilidesbenzoyl derivativescarbonyl compoundscarboxylic acidsdicarboxylic acids and derivativeshippuric acids and derivativeshydrocarbon derivativesn-acyl-alpha amino acidsn-arylamidesorganic oxidesorganopnictogen compoundssecondary carboxylic acid amides |
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Substituents | monocyclic benzene moietycarbonyl groupcarboxylic acidbenzoyln-arylamidebenzamideorganic oxideorganonitrogen compoundalpha-amino acidorganopnictogen compoundn-acyl-alpha amino acid or derivativesacylaminobenzoic acid or derivativesn-acyl-alpha-amino acidhippuric acid or derivativesbenzoic acid or derivativescarboxamide grouparomatic homomonocyclic compoundanilidesecondary carboxylic acid amideorganic oxygen compoundaspartic acid or derivativesdicarboxylic acid or derivativeshydrocarbon derivativebenzenoidorganic nitrogen compoundorganooxygen compound |
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