| Record Information |
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| HMDB Status | Not Available |
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| Creation Date | 2024-02-21 14:51:26 UTC |
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| Update Date | 2025-03-25 00:50:34 UTC |
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| HMDB ID | Not Available |
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| Metabolite Identification |
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| DeepMet ID | DMID02181782 |
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| Frequency | 0.5 |
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| Structure | |
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| Chemical Formula | C6H6N2O4 |
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| Molecular Mass | 170.0328 |
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| SMILES | O=C(O)C1=CC=NC(C(=O)O)N1 |
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| InChI Key | WTXWZZNFJAYHNA-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 | alpha amino acids |
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| Geometric Descriptor | aliphatic heteromonocyclic compounds |
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| Alternative Parents | amino acidsazacyclic compoundscarbonyl compoundscarboxylic acidsdialkylaminesdicarboxylic acids and derivativeshydrocarbon derivativeshydropyrimidinesiminesorganic oxidesorganopnictogen compoundspropargyl-type 1,3-dipolar organic compounds |
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| Substituents | carbonyl groupcarboxylic acidamino acidimine1,2-dihydropyrimidinepropargyl-type 1,3-dipolar organic compoundorganic oxidealiphatic heteromonocyclic compoundorganonitrogen compoundalpha-amino acidhydropyrimidineorganopnictogen compoundorganoheterocyclic compoundsecondary aliphatic amineazacycleorganic 1,3-dipolar compoundsecondary amineorganic oxygen compounddicarboxylic acid or derivativeshydrocarbon derivativeorganic nitrogen compoundorganooxygen compoundamine |
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