| Record Information |
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| HMDB Status | Not Available |
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| Creation Date | 2024-02-21 14:53:22 UTC |
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| Update Date | 2025-03-25 00:51:19 UTC |
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| HMDB ID | Not Available |
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| Metabolite Identification |
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| DeepMet ID | DMID02186160 |
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| Frequency | 0.5 |
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| Structure | |
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| Chemical Formula | C8H8N2O4 |
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| Molecular Mass | 196.0484 |
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| SMILES | O=C(CC(=O)C(=O)O)Cn1ccnc1 |
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| InChI Key | ICTIDWZQBAVVFF-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 | keto acids and derivatives |
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| Subclass | gamma-keto acids and derivatives |
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| Direct Parent | 3-acylpyruvic acids |
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| Geometric Descriptor | aromatic heteromonocyclic compounds |
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| Alternative Parents | alpha-hydroxy ketonesalpha-keto acids and derivativesazacyclic compoundscarboxylic acidsheteroaromatic compoundshydrocarbon derivativesimidazolesmonocarboxylic acids and derivativesn-substituted imidazolesorganic oxidesorganonitrogen compoundsorganopnictogen compounds |
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| Substituents | carbonyl groupcarboxylic acidaromatic heteromonocyclic compoundalpha-hydroxy ketonecarboxylic acid derivativeketoneorganic oxideimidazoleorganonitrogen compoundalpha-keto acidorganopnictogen compoundorganoheterocyclic compoundazolen-substituted imidazole3-acylpyruvic acidazacycleheteroaromatic compoundmonocarboxylic acid or derivativesorganic oxygen compoundhydrocarbon derivativeorganic nitrogen compoundorganooxygen compound |
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