| Record Information |
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| HMDB Status | Not Available |
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| Creation Date | 2024-02-21 00:11:31 UTC |
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| Update Date | 2025-03-21 18:32:11 UTC |
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| HMDB ID | Not Available |
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| Metabolite Identification |
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| DeepMet ID | DMID00089598 |
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| Frequency | 31.5 |
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| Structure | |
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| Chemical Formula | C9H8N2O4 |
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| Molecular Mass | 208.0484 |
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| SMILES | Nc1ncccc1C(=O)CC(=O)C(=O)O |
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| InChI Key | BLMUBYHZPRIKPN-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 | gamma-keto acids and derivatives |
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| Geometric Descriptor | aromatic heteromonocyclic compounds |
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| Alternative Parents | 2-halopyridinesalpha-hydroxy ketonesalpha-keto acids and derivativesamino acidsaryl alkyl ketonesazacyclic compoundscarboxylic acidsheteroaromatic compoundshydrocarbon derivativeshydroxypyridinesimidolactamsmonocarboxylic acids and derivativesorganic oxidesorganopnictogen compoundspolyhalopyridinesprimary aminesvinylogous amides |
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| Substituents | carbonyl groupcarboxylic acidaryl alkyl ketonearomatic heteromonocyclic compoundamino acid or derivativesamino acidpolyhalopyridinealpha-hydroxy ketonecarboxylic acid derivativeketoneorganic oxideorganonitrogen compoundalpha-keto acidorganopnictogen compound2-halopyridineimidolactamorganoheterocyclic compoundvinylogous amideazacycleheteroaromatic compoundhydroxypyridinegamma-keto acidmonocarboxylic acid or derivativespyridineorganic oxygen compoundhydrocarbon derivativeprimary amineorganic nitrogen compoundamineorganooxygen compoundaryl ketone |
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